From 6a6bd4fab3bef9684153e6f11a07bdf561f4ea83 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 15 Jul 2024 16:47:41 +0100 Subject: [PATCH 01/62] create orthology grouper --- intact-orthology-import/pom.xml | 67 ++++++ .../ebi/intact/ortholog/OrthologsGrouper.java | 55 +++++ .../META-INF/orthology-import-spring.xml | 223 ++++++++++++++++++ .../META-INF/orthology-import.properties | 7 + .../src/main/resources/log4j.properties | 43 ++++ .../dataexchange/OrthologsGrouperTest.java | 38 +++ pom.xml | 1 + 7 files changed, 434 insertions(+) create mode 100644 intact-orthology-import/pom.xml create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java create mode 100644 intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml create mode 100644 intact-orthology-import/src/main/resources/META-INF/orthology-import.properties create mode 100644 intact-orthology-import/src/main/resources/log4j.properties create mode 100644 intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml new file mode 100644 index 000000000..52e8e2447 --- /dev/null +++ b/intact-orthology-import/pom.xml @@ -0,0 +1,67 @@ + + 4.0.0 + + uk.ac.ebi.intact.dataexchange + intact-dataexchange-master + 3.3.2-SNAPSHOT + + + intact-orthology-import + jar + + intact-orthology-import + + + UTF-8 + 3.6.0-SNAPSHOT + 3.1.0-SNAPSHOT + 4.3.30.RELEASE + 1.3.4 + + + + + psidev.psi.mi.jami + jami-core + ${psi.jami.version} + + + + psidev.psi.mi.jami + jami-batch + ${psi.jami.version} + + + + psidev.psi.mi.jami.bridges + jami-uniprot + ${psi.jami.version} + + + org.slf4j + jcl-over-slf4j + + + + + + uk.ac.ebi.intact.jami + intact-jami + ${intact.jami.version} + + + + + org.springframework.retry + spring-retry + ${spring.retry.version} + + + + org.springframework + spring-aspects + ${spring.version} + + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java new file mode 100644 index 000000000..34ce1bf39 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java @@ -0,0 +1,55 @@ +package uk.ac.ebi.intact.ortholog; + +import java.io.BufferedReader; +import java.io.FileReader; +import java.io.IOException; +import java.util.*; +import java.util.regex.Matcher; +import java.util.regex.Pattern; + + +public class OrthologsGrouper { + public static void main(String[] args) { + String filePath = "/Users/susiehuget/Desktop/Orthologs/test.txt"; + Map uniprotAndPanther = parseFile(filePath); + uniprotToProtein(uniprotAndPanther); + + } + + private static void uniprotToProtein(Map uniprotAndPanther) { + for (Map.Entry entry : uniprotAndPanther.entrySet()) { + System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + } + } + + private static Map parseFile(String filePath) { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + Map uniprotAndPTHR = new HashMap<>(); + + try ( + BufferedReader reader = new BufferedReader(new FileReader(filePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); + } + + } + } catch (IOException e) { + throw new RuntimeException(e); + } + return uniprotAndPTHR; + } + + +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml new file mode 100644 index 000000000..af19f5f0d --- /dev/null +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -0,0 +1,223 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + true + false + ${db.hbm2ddl} + intact + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties new file mode 100644 index 000000000..d528aafbb --- /dev/null +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -0,0 +1,7 @@ +retry.maxAttempts=5 +retry.multiplier=2 +retry.maxDelay=5000 + +jami.user.context.id=ORTHOLOG_IMPORTER + +#orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/log4j.properties b/intact-orthology-import/src/main/resources/log4j.properties new file mode 100644 index 000000000..02e80decb --- /dev/null +++ b/intact-orthology-import/src/main/resources/log4j.properties @@ -0,0 +1,43 @@ +log4j.rootCategory=INFO, A + +log4j.category.uk.ac.ebi.intact=INFO + +# Hibernate +log4j.category.org.hibernate=ERROR + +log4j.category.org.hibernate.cfg=WARN + +log4j.category.org.hibernate.impl=ERROR +log4j.category.org.hibernate.loader=WARN +log4j.category.org.hibernate.util=ERROR +log4j.category.org.hibernate.persister=ERROR +log4j.category.org.hibernate.validator=ERROR + +log4j.category.org.hibernate.engine=INFO +log4j.category.org.hibernate.engine.internal=WARN +log4j.category.org.hibernate.event=INFO + +#Log all SQL DML statements as they are executed +log4j.category.org.hibernate.SQL=INFO +#Log all JDBC parameters +log4j.category.org.hibernate.type=INFO +#Log all SQL DDL statements as they are executed +log4j.category.org.hibernate.tool.hbm2ddl=ERROR +#Log the state of all entities (max 20 entities) associated with the session at flush time +log4j.category.org.hibernate.pretty=ERROR +#Log all second-level cache activity +log4j.category.org.hibernate.cache=INFO +#Log transaction related activity +log4j.category.org.hibernate.transaction=INFO +#Log all JDBC resource acquisition +log4j.category.org.hibernate.jdbc=INFO +#Log HQL and SQL ASTs during query parsing +log4j.category.org.hibernate.hql.ast.AST=INFO +#Log all JAAS authorization requests +log4j.category.org.hibernate.secure=INFO + +# ***** A is set to be a ConsoleAppender. +log4j.appender.A=org.apache.log4j.ConsoleAppender +# ***** A uses PatternLayout. +log4j.appender.A.layout=org.apache.log4j.PatternLayout +log4j.appender.A.layout.ConversionPattern=%d [%t] %-5p (%C{1},%L) - %m%n \ No newline at end of file diff --git a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java new file mode 100644 index 000000000..0cea70f43 --- /dev/null +++ b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java @@ -0,0 +1,38 @@ +package uk.ac.ebi.intact.dataexchange; + +import junit.framework.Test; +import junit.framework.TestCase; +import junit.framework.TestSuite; + +/** + * Unit test for simple App. + */ +public class OrthologsGrouperTest + extends TestCase +{ + /** + * Create the test case + * + * @param testName name of the test case + */ + public OrthologsGrouperTest(String testName ) + { + super( testName ); + } + + /** + * @return the suite of tests being tested + */ + public static Test suite() + { + return new TestSuite( OrthologsGrouperTest.class ); + } + + /** + * Rigourous Test :-) + */ + public void testApp() + { + assertTrue( true ); + } +} diff --git a/pom.xml b/pom.xml index 0c7df2f7d..38339849f 100644 --- a/pom.xml +++ b/pom.xml @@ -66,6 +66,7 @@ complex-pdb-export complex-tab-export complex-uniprot-dr-export + intact-orthology-import From 0f5ac346ca217977fc6d40205073d9cb993dd051 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 23 Jul 2024 11:37:41 +0100 Subject: [PATCH 02/62] create orthology grouper; fetching and parsing PANTHER file OK; fetching proteins and adding xref IN PROGRESS --- intact-orthology-import/pom.xml | 20 +++- .../ebi/intact/ortholog/OrthologsGrouper.java | 108 ++++++++++++++++-- .../META-INF/orthology-import-spring.xml | 6 +- .../META-INF/orthology-import.properties | 2 +- 4 files changed, 122 insertions(+), 14 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 52e8e2447..9435c7a80 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -9,7 +9,6 @@ intact-orthology-import jar - intact-orthology-import @@ -21,6 +20,12 @@ + + + + + + psidev.psi.mi.jami jami-core @@ -51,7 +56,6 @@ ${intact.jami.version} - org.springframework.retry spring-retry @@ -63,5 +67,17 @@ spring-aspects ${spring.version} + + + org.apache.commons + commons-compress + 1.21 + compile + + + org.projectlombok + lombok + 1.18.30 + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java index 34ce1bf39..cbf259450 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java @@ -1,22 +1,42 @@ package uk.ac.ebi.intact.ortholog; -import java.io.BufferedReader; -import java.io.FileReader; -import java.io.IOException; +import lombok.RequiredArgsConstructor; + +import java.io.*; +import java.net.HttpURLConnection; +import java.net.URL; +import java.time.Duration; +import java.time.Instant; import java.util.*; import java.util.regex.Matcher; import java.util.regex.Pattern; +import java.util.zip.GZIPInputStream; +import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; + +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +@RequiredArgsConstructor public class OrthologsGrouper { - public static void main(String[] args) { - String filePath = "/Users/susiehuget/Desktop/Orthologs/test.txt"; - Map uniprotAndPanther = parseFile(filePath); - uniprotToProtein(uniprotAndPanther); + private final UniprotProteinFetcher uniprotProteinFetcher; + + public static void main(String[] args) throws IOException, BridgeFailedException { + String filePath = "orthologsData.txt"; + String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; +// decompressGzip(urlPanther, filePath); +// parseFile(filePath); +// Map uniprotAndPanther = parseFile(filePath); +// uniprotToProtein(uniprotAndPanther); + + OrthologsGrouper orthologsGrouper = new OrthologsGrouper(new UniprotProteinFetcher()); + orthologsGrouper.getIntactProtein(); } - private static void uniprotToProtein(Map uniprotAndPanther) { + private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { + UniprotProteinFetcher proteinFetcher = new UniprotProteinFetcher(); for (Map.Entry entry : uniprotAndPanther.entrySet()) { System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); } @@ -26,6 +46,8 @@ private static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); Map uniprotAndPTHR = new HashMap<>(); + Instant startTime = Instant.now(); + System.out.println("Parsing file..."); try ( BufferedReader reader = new BufferedReader(new FileReader(filePath))) { @@ -48,8 +70,78 @@ private static Map parseFile(String filePath) { } catch (IOException e) { throw new RuntimeException(e); } + Instant endTime = Instant.now(); + System.out.println("File parsed"); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); return uniprotAndPTHR; } + public static void decompressGzip(String url, String filePath) throws IOException { + URL gzipUrl = new URL(url); + HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); + int responseCode = connection.getResponseCode(); + Instant startTime = Instant.now(); + + if (responseCode == HttpURLConnection.HTTP_OK) { + System.out.println("Connected to URL"); + try (InputStream in = connection.getInputStream(); + GZIPInputStream gis = new GZIPInputStream(in); + TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { + System.out.println("Decompressing..."); + while (tis.getNextTarEntry() != null) { + File outputFile = new File(filePath); + try (FileOutputStream fos = new FileOutputStream(outputFile, false); + // the false make it write over existing data + BufferedOutputStream bos = new BufferedOutputStream(fos)) { + byte[] buffer = new byte[4096]; + int len; + while ((len = tis.read(buffer)) != -1) { + bos.write(buffer, 0, len); + } + } + } + System.out.println("File decompressed, data in " + filePath); + Instant endTime = Instant.now(); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + } + finally { + connection.disconnect(); + System.out.println("Disconnected from URL"); + } + } + else { + System.out.println("GZIP returned unexpected response: " + responseCode); + } + } + + + //code from UniplexComplexManager l.165 + +// private void addPantherXref(UniplexCluster uniplexCluster, IntactComplex complex) throws CvTermNotFoundException { +// for (String clusterId: uniplexCluster.getClusterIds()) { +// InteractorXref xref = newHumapXref(clusterId); +// complex.getIdentifiers().add(xref); +// } +// +// for (String uniprotId: protein.AC()) { +// PantherXref xref = newPantherXref(pantherID); +// protein.getIdentifiers.add(xref); +// } +// +// } +// +// private InteractorXref newPantherXref(String id) throws CvTermNotFoundException { +// IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, HUMAP_DATABASE_ID); +// // Currently we use identity as qualifier, as we are only importing exact matches. +// // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). +// IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); +// return new InteractorXref(database, id, qualifier); +// } + + + private IntactProtein getIntactProtein() throws BridgeFailedException { + String proteinID = "Q8K305"; + return (IntactProtein) uniprotProteinFetcher.fetchByIdentifier(proteinID); + } } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index af19f5f0d..dc07f61bc 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -170,9 +170,9 @@ - - - + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index d528aafbb..c301e9924 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -4,4 +4,4 @@ retry.maxDelay=5000 jami.user.context.id=ORTHOLOG_IMPORTER -#orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file +orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file From 168b62efbc50696acd9d8df96863c725ad2d98f0 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 23 Jul 2024 15:48:49 +0100 Subject: [PATCH 03/62] Separation of the files --- intact-orthology-import/pom.xml | 74 +++++++++ .../intact/ortholog/OrthologsFileParser.java | 55 +++++++ .../intact/ortholog/OrthologsFileReader.java | 61 ++++++++ .../ebi/intact/ortholog/OrthologsGrouper.java | 147 ------------------ .../ebi/intact/ortholog/OrthologsManager.java | 36 +++++ .../ortholog/OrthologsProteinAssociation.java | 34 ++++ .../META-INF/orthology-import-spring.xml | 6 +- ...perTest.java => OrthologsManagerTest.java} | 6 +- 8 files changed, 268 insertions(+), 151 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java rename intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/{OrthologsGrouperTest.java => OrthologsManagerTest.java} (79%) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 9435c7a80..4875b29f7 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -19,13 +19,87 @@ 1.3.4 + + + + orthology-importer + + + + org.codehaus.mojo + exec-maven-plugin + + + install + + exec + + + + + java + + -Xmx2024m + -classpath + + psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + uk.ac.ebi.intact.bridges + intact-uniprot + ${bridges.version} + + + + net.sf.ehcache + ehcache + + + + psidev.psi.mi.jami jami-core diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java new file mode 100644 index 000000000..b0ff82692 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -0,0 +1,55 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; + +import java.io.BufferedReader; +import java.io.FileReader; +import java.io.IOException; +import java.time.Duration; +import java.time.Instant; +import java.util.ArrayList; +import java.util.HashMap; +import java.util.Map; +import java.util.regex.Matcher; +import java.util.regex.Pattern; + +@RequiredArgsConstructor +public class OrthologsFileParser { + + String filePath; + + + public static Map parseFile(String filePath) { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + Map uniprotAndPTHR = new HashMap<>(); + Instant startTime = Instant.now(); + System.out.println("Parsing file..."); + + try ( + BufferedReader reader = new BufferedReader(new FileReader(filePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); + } + + } + } catch (IOException e) { + throw new RuntimeException(e); + } + Instant endTime = Instant.now(); + System.out.println("File parsed"); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + return uniprotAndPTHR; + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java new file mode 100644 index 000000000..6e941a3ab --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -0,0 +1,61 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; +import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; + +import java.io.*; +import java.net.HttpURLConnection; +import java.net.URL; +import java.time.Duration; +import java.time.Instant; +import java.util.zip.GZIPInputStream; + +@RequiredArgsConstructor +public class OrthologsFileReader { + + String urlToDB; + String dataExtractedPath; + + public OrthologsFileReader(String urlPanther, String filePath) { + urlToDB = urlPanther; + dataExtractedPath = filePath; + } + + public static void decompressGzip(String url, String filePath) throws IOException { + URL gzipUrl = new URL(url); + HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); + int responseCode = connection.getResponseCode(); + Instant startTime = Instant.now(); + + if (responseCode == HttpURLConnection.HTTP_OK) { + System.out.println("Connected to URL"); + try (InputStream in = connection.getInputStream(); + GZIPInputStream gis = new GZIPInputStream(in); + TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { + System.out.println("Decompressing..."); + while (tis.getNextTarEntry() != null) { + File outputFile = new File(filePath); + try (FileOutputStream fos = new FileOutputStream(outputFile, false); + // the false make it write over existing data + BufferedOutputStream bos = new BufferedOutputStream(fos)) { + byte[] buffer = new byte[4096]; + int len; + while ((len = tis.read(buffer)) != -1) { + bos.write(buffer, 0, len); + } + } + } + System.out.println("File decompressed, data in " + filePath); + Instant endTime = Instant.now(); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + } + finally { + connection.disconnect(); + System.out.println("Disconnected from URL"); + } + } + else { + System.out.println("GZIP returned unexpected response: " + responseCode); + } + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java deleted file mode 100644 index cbf259450..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java +++ /dev/null @@ -1,147 +0,0 @@ -package uk.ac.ebi.intact.ortholog; - -import lombok.RequiredArgsConstructor; - -import java.io.*; -import java.net.HttpURLConnection; -import java.net.URL; -import java.time.Duration; -import java.time.Instant; -import java.util.*; -import java.util.regex.Matcher; -import java.util.regex.Pattern; -import java.util.zip.GZIPInputStream; -import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; - - -import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - -@RequiredArgsConstructor -public class OrthologsGrouper { - - private final UniprotProteinFetcher uniprotProteinFetcher; - - public static void main(String[] args) throws IOException, BridgeFailedException { - String filePath = "orthologsData.txt"; - String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; -// decompressGzip(urlPanther, filePath); -// parseFile(filePath); -// Map uniprotAndPanther = parseFile(filePath); -// uniprotToProtein(uniprotAndPanther); - - OrthologsGrouper orthologsGrouper = new OrthologsGrouper(new UniprotProteinFetcher()); - orthologsGrouper.getIntactProtein(); - } - - private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { - UniprotProteinFetcher proteinFetcher = new UniprotProteinFetcher(); - for (Map.Entry entry : uniprotAndPanther.entrySet()) { - System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); - } - } - - private static Map parseFile(String filePath) { - Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); - Pattern pantherRegex = Pattern.compile("PTHR\\d+"); - Map uniprotAndPTHR = new HashMap<>(); - Instant startTime = Instant.now(); - System.out.println("Parsing file..."); - - try ( - BufferedReader reader = new BufferedReader(new FileReader(filePath))) { - - String line; - while ((line = reader.readLine()) != null) { - ArrayList uniprotMatches = new ArrayList<>(); - - Matcher uniprotMatcher = uniprotKBRegex.matcher(line); - Matcher pantherMatcher = pantherRegex.matcher(line); - - while (uniprotMatcher.find()) { - uniprotMatches.add(uniprotMatcher.group(1)); - } - while (pantherMatcher.find()) { - uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); - } - - } - } catch (IOException e) { - throw new RuntimeException(e); - } - Instant endTime = Instant.now(); - System.out.println("File parsed"); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); - return uniprotAndPTHR; - } - - public static void decompressGzip(String url, String filePath) throws IOException { - URL gzipUrl = new URL(url); - HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); - int responseCode = connection.getResponseCode(); - Instant startTime = Instant.now(); - - if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL"); - try (InputStream in = connection.getInputStream(); - GZIPInputStream gis = new GZIPInputStream(in); - TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { - System.out.println("Decompressing..."); - while (tis.getNextTarEntry() != null) { - File outputFile = new File(filePath); - try (FileOutputStream fos = new FileOutputStream(outputFile, false); - // the false make it write over existing data - BufferedOutputStream bos = new BufferedOutputStream(fos)) { - byte[] buffer = new byte[4096]; - int len; - while ((len = tis.read(buffer)) != -1) { - bos.write(buffer, 0, len); - } - } - } - System.out.println("File decompressed, data in " + filePath); - Instant endTime = Instant.now(); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); - } - finally { - connection.disconnect(); - System.out.println("Disconnected from URL"); - } - } - else { - System.out.println("GZIP returned unexpected response: " + responseCode); - } - } - - - //code from UniplexComplexManager l.165 - -// private void addPantherXref(UniplexCluster uniplexCluster, IntactComplex complex) throws CvTermNotFoundException { -// for (String clusterId: uniplexCluster.getClusterIds()) { -// InteractorXref xref = newHumapXref(clusterId); -// complex.getIdentifiers().add(xref); -// } -// -// for (String uniprotId: protein.AC()) { -// PantherXref xref = newPantherXref(pantherID); -// protein.getIdentifiers.add(xref); -// } -// -// } -// -// private InteractorXref newPantherXref(String id) throws CvTermNotFoundException { -// IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, HUMAP_DATABASE_ID); -// // Currently we use identity as qualifier, as we are only importing exact matches. -// // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). -// IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); -// return new InteractorXref(database, id, qualifier); -// } - - - private IntactProtein getIntactProtein() throws BridgeFailedException { - String proteinID = "Q8K305"; - return (IntactProtein) uniprotProteinFetcher.fetchByIdentifier(proteinID); - } - -} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java new file mode 100644 index 000000000..59ce97991 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -0,0 +1,36 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.fetcher.InteractorFetcher; +import psidev.psi.mi.jami.bridges.fetcher.ProteinFetcher; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import java.io.*; +import java.util.*; + +@RequiredArgsConstructor +public class OrthologsManager { + + UniprotProteinFetcher uniprotProteinFetcher; + + public OrthologsManager(UniprotProteinFetcher uniprotProteinFetcher) { + this.uniprotProteinFetcher = new UniprotProteinFetcher(); + } + + public static void main(String[] args) throws IOException, BridgeFailedException { + String filePath = "orthologsData.txt"; + String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; + + OrthologsManager orthologsManager = new OrthologsManager(); + +// OrthologsFileReader.decompressGzip(urlPanther,filePath); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + +// System.out.println(orthologsManager.uniprotProteinFetcher.fetchByIdentifier("P77650")); // return null + +// +// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new UniprotProteinFetcher()); +// orthologsProteinAssociation.getProtein(); + } +} + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java new file mode 100644 index 000000000..979b1ca00 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -0,0 +1,34 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.Getter; +import lombok.RequiredArgsConstructor; +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import psidev.psi.mi.jami.model.Protein; + +import java.util.Collection; +import java.util.Map; + +@Getter +@RequiredArgsConstructor +public class OrthologsProteinAssociation { + + private final UniprotProteinFetcher uniprotProteinFetcher; + Collection proteins; + + public Collection getIntactProtein() throws BridgeFailedException { + String proteinID = "P77650"; + proteins = (Collection) uniprotProteinFetcher.fetchByIdentifier(proteinID); + return proteins; + } + + public void getProtein(){ + System.out.println(proteins.iterator().next()); + } + + private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { + for (Map.Entry entry : uniprotAndPanther.entrySet()) { + System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + } + } +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index dc07f61bc..ea1235cb8 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -170,7 +170,11 @@ - + + + + + diff --git a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java similarity index 79% rename from intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java rename to intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java index 0cea70f43..808a60629 100644 --- a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java +++ b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java @@ -7,7 +7,7 @@ /** * Unit test for simple App. */ -public class OrthologsGrouperTest +public class OrthologsManagerTest extends TestCase { /** @@ -15,7 +15,7 @@ public class OrthologsGrouperTest * * @param testName name of the test case */ - public OrthologsGrouperTest(String testName ) + public OrthologsManagerTest(String testName ) { super( testName ); } @@ -25,7 +25,7 @@ public OrthologsGrouperTest(String testName ) */ public static Test suite() { - return new TestSuite( OrthologsGrouperTest.class ); + return new TestSuite( OrthologsManagerTest.class ); } /** From 8e21f328f45c621ea1a87291fda69c4fbb358e80 Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 26 Jul 2024 17:57:37 +0100 Subject: [PATCH 04/62] Adding of the bash file for launching (still has some bugs to fix) --- intact-orthology-import/importOrtholgy.sh | 14 ++ intact-orthology-import/pom.xml | 145 ++++++++++++++---- .../intact/ortholog/OrthologsFileReader.java | 2 + .../ebi/intact/ortholog/OrthologsManager.java | 41 +++-- .../ortholog/OrthologsProteinAssociation.java | 57 +++++-- .../intact/ortholog/OrthologsXrefWriter.java | 57 +++++++ .../META-INF/orthology-import-spring.xml | 44 +++--- .../META-INF/orthology-import.properties | 4 - 8 files changed, 271 insertions(+), 93 deletions(-) create mode 100644 intact-orthology-import/importOrtholgy.sh create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh new file mode 100644 index 000000000..3cdf54ac9 --- /dev/null +++ b/intact-orthology-import/importOrtholgy.sh @@ -0,0 +1,14 @@ +#!/bin/bash + +#if [ $# -ne 2 ]; then +# echo "" +# echo "ERROR: wrong number of parameters ($#)." +# echo "" +# exit 1 +#fi + +PROFILE=$1; + +echo "Profile: $PROFILE" + +mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImportStep -Dmaven.test.skip diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 4875b29f7..35f68aae3 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,6 +1,7 @@ 4.0.0 + uk.ac.ebi.intact.dataexchange intact-dataexchange-master @@ -11,18 +12,20 @@ jar intact-orthology-import + UTF-8 3.6.0-SNAPSHOT 3.1.0-SNAPSHOT 4.3.30.RELEASE 1.3.4 + ${db.protocol}:${db.subprotocol}${db.separator}${db.alias} + none - - orthology-importer + import-orthology @@ -42,7 +45,39 @@ -Xmx2024m -classpath - psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher + uk.ac.ebi.complex.service.processor.OrthologsFileReader + uk.ac.ebi.complex.service.processor.OrthologsFileParser + + + + + + + + + fetch-protein-orthologs + + + + org.codehaus.mojo + exec-maven-plugin + + + install + + exec + + + + + java + + -Xmx2024m + -classpath + + psidev.psi.mi.jami.batch.MIBatchJobManager + classpath*:/META-INF/orthology-import-spring.xml + ${job.name} @@ -53,39 +88,14 @@ + - - - - - - - - - - - - - - - - - - - - - - - - - - + + + - - - uk.ac.ebi.intact.bridges intact-uniprot @@ -142,16 +152,87 @@ ${spring.version} + + org.springframework + spring-aop + ${spring.version} + + + org.springframework + spring-context + ${spring.version} + + org.apache.commons commons-compress 1.21 compile + org.projectlombok lombok 1.18.30 + + + + + + + + + + + + + + + + + org.hibernate + hibernate-core + 5.6.15.Final + + + + org.apache.httpcomponents + httpclient + 4.5.14 + + + + + com.google.inject + guice + 5.0.1 + + + + javax.ws.rs + javax.ws.rs-api + 2.1.1 + + + + ch.qos.logback + logback-classic + 1.1.11 + + + + uk.ac.ebi.intact.maven + intact-hibernate-master + 48-SNAPSHOT + + + + com.h2database + h2 + ${h2.version} + test + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 6e941a3ab..b58262f8b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -2,6 +2,7 @@ import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; import java.io.*; import java.net.HttpURLConnection; @@ -21,6 +22,7 @@ public OrthologsFileReader(String urlPanther, String filePath) { dataExtractedPath = filePath; } + public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 59ce97991..8141e9511 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -1,36 +1,45 @@ package uk.ac.ebi.intact.ortholog; import lombok.RequiredArgsConstructor; +import org.hibernate.jpa.boot.internal.EntityManagerFactoryBuilderImpl; +import org.springframework.beans.factory.annotation.Autowired; +import org.springframework.beans.factory.annotation.Qualifier; +import org.springframework.context.ApplicationContext; +import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.fetcher.InteractorFetcher; -import psidev.psi.mi.jami.bridges.fetcher.ProteinFetcher; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.dao.impl.IntactDaoImpl; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import javax.persistence.EntityManager; +import javax.persistence.EntityManagerFactory; import java.io.*; import java.util.*; + @RequiredArgsConstructor public class OrthologsManager { - UniprotProteinFetcher uniprotProteinFetcher; - - public OrthologsManager(UniprotProteinFetcher uniprotProteinFetcher) { - this.uniprotProteinFetcher = new UniprotProteinFetcher(); - } + private final IntactDao intactDao; public static void main(String[] args) throws IOException, BridgeFailedException { + ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); + // Retrieve beans and use them + OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); + OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); + OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); + + String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; - OrthologsManager orthologsManager = new OrthologsManager(); - -// OrthologsFileReader.decompressGzip(urlPanther,filePath); -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ -// System.out.println(orthologsManager.uniprotProteinFetcher.fetchByIdentifier("P77650")); // return null +// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new IntactDaoImpl()); +// List proteins = orthologsProteinAssociation.getIntactProtein(); + List prot = orthologsProteinAssociation.getIntactProtein(); -// -// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new UniprotProteinFetcher()); -// orthologsProteinAssociation.getProtein(); } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 979b1ca00..57f640583 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,33 +2,58 @@ import lombok.Getter; import lombok.RequiredArgsConstructor; +import lombok.Setter; +import org.springframework.beans.factory.annotation.Autowired; +import org.springframework.beans.factory.annotation.Qualifier; +import org.springframework.transaction.annotation.Propagation; +import org.springframework.transaction.annotation.Transactional; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; -import psidev.psi.mi.jami.model.Protein; -import java.util.Collection; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.synchronizer.listener.impl.DbSynchronizerStatisticsReporter; + +import java.util.HashMap; +import java.util.List; import java.util.Map; -@Getter -@RequiredArgsConstructor +import javax.persistence.EntityManager; + + public class OrthologsProteinAssociation { - private final UniprotProteinFetcher uniprotProteinFetcher; - Collection proteins; + @Setter + @Autowired + private EntityManager entityManager; + + private final IntactDao intactDao; + private DbSynchronizerStatisticsReporter synchronizerListener; + + public OrthologsProteinAssociation(IntactDao intactDao) { + this.intactDao = intactDao; +// this.intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - public Collection getIntactProtein() throws BridgeFailedException { - String proteinID = "P77650"; - proteins = (Collection) uniprotProteinFetcher.fetchByIdentifier(proteinID); - return proteins; } - public void getProtein(){ - System.out.println(proteins.iterator().next()); + + public List getIntactProtein(){ +// EntityManager manager = intactDao.getEntityManager(); +// intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); + + String proteinID = "P77650"; + + return intactDao.getProteinDao().getAll(); } - private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { - for (Map.Entry entry : uniprotAndPanther.entrySet()) { - System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { + Map intactProteinAndPanther = new HashMap<>(); + for (IntactProtein intactProtein : intactProteins) { + for (Map.Entry entry : uniprotAndPanther.entrySet()){ + if (entry.getValue().equals(intactProtein.getAc())){ + intactProteinAndPanther.put(intactProtein, entry.getValue()); + } + } } + return intactProteinAndPanther; } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java new file mode 100644 index 000000000..bc8d8f383 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -0,0 +1,57 @@ +package uk.ac.ebi.intact.ortholog; + +import psidev.psi.mi.jami.model.Protein; +import psidev.psi.mi.jami.model.Xref; +import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.model.extension.InteractorXref; +import uk.ac.ebi.intact.jami.utils.IntactUtils; +//import uk.ac.ebi.complex.service.service.IntactComplexService; + +import java.util.*; +import java.util.Map; + + +public class OrthologsXrefWriter { + + private final static String PANTHER_DATABASE_ID = "test"; + private final Map cvTermMap = new HashMap<>(); + +// private final IntactComplexService intactComplexService; + + public void iterateThroughProteins(){ + + } + + public void addOrthologyXref(Map proteinAndPanther){ + IntactProtein protein = (IntactProtein) proteinAndPanther.keySet(); + String pantherId = proteinAndPanther.get(protein); + InteractorXref xref = newOrthologsXref(pantherId); + if (!protein.getXrefs().contains(xref)){ + protein.getXrefs().add(xref); + } + } + + private InteractorXref newOrthologsXref(String id){ + IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); + // Currently we use identity as qualifier, as we are only importing exact matches. + // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). + IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); + return new InteractorXref(database, id, qualifier); + } + + private IntactCvTerm findCvTerm(String clazz, String id){ + String key = clazz + "_" + id; + if (cvTermMap.containsKey(key)) { + return cvTermMap.get(key); + } + IntactCvTerm cvTerm = new IntactCvTerm(); +// IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); +// if (cvTerm != null) { +// cvTermMap.put(key, cvTerm); +// return cvTerm; +// } +// throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); + return cvTerm; + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index ea1235cb8..f5f17dc38 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -20,6 +20,7 @@ + @@ -39,9 +40,9 @@ - + - - + + + + - - + - - + - + + + + - + - + @@ -201,27 +202,20 @@ - - - + + - + - - - - - - - + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index c301e9924..9028939d1 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,7 +1,3 @@ -retry.maxAttempts=5 -retry.multiplier=2 -retry.maxDelay=5000 - jami.user.context.id=ORTHOLOG_IMPORTER orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file From 0a0478e070c45714926c828887b3b695cc8dec89 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 29 Jul 2024 16:35:55 +0100 Subject: [PATCH 05/62] Running under JDK 11; Access to the database not ok yet --- intact-orthology-import/pom.xml | 228 +++++++++--------- .../intact/ortholog/OrthologsFileReader.java | 4 +- .../ebi/intact/ortholog/OrthologsManager.java | 20 +- .../ortholog/OrthologsProteinAssociation.java | 33 +-- .../intact/ortholog/OrthologsXrefWriter.java | 1 + .../META-INF/orthology-import-spring.xml | 73 +++--- 6 files changed, 163 insertions(+), 196 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 35f68aae3..1a35a2c78 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,5 +1,7 @@ + + 4.0.0 @@ -9,16 +11,11 @@ intact-orthology-import - jar + intact-orthology-import - UTF-8 - 3.6.0-SNAPSHOT - 3.1.0-SNAPSHOT - 4.3.30.RELEASE - 1.3.4 ${db.protocol}:${db.subprotocol}${db.separator}${db.alias} none @@ -45,36 +42,10 @@ -Xmx2024m -classpath - uk.ac.ebi.complex.service.processor.OrthologsFileReader - uk.ac.ebi.complex.service.processor.OrthologsFileParser - - - - - - - - - fetch-protein-orthologs - - - - org.codehaus.mojo - exec-maven-plugin - - - install - - exec - - - - - java - - -Xmx2024m - -classpath - + uk.ac.ebi.intact.ortholog.OrthologsManager + uk.ac.ebi.intact.ortholog.OrthologsFileReader + uk.ac.ebi.intact.ortholog.OrthologsFileParser + uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation psidev.psi.mi.jami.batch.MIBatchJobManager classpath*:/META-INF/orthology-import-spring.xml ${job.name} @@ -84,32 +55,46 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - - - uk.ac.ebi.intact.bridges - intact-uniprot - ${bridges.version} - - - - net.sf.ehcache - ehcache - - - - psidev.psi.mi.jami jami-core @@ -143,7 +128,7 @@ org.springframework.retry spring-retry - ${spring.retry.version} + 1.3.4 @@ -153,16 +138,13 @@ - org.springframework - spring-aop - ${spring.version} - - - org.springframework - spring-context - ${spring.version} + org.projectlombok + lombok + 1.18.30 + + org.apache.commons commons-compress @@ -170,69 +152,89 @@ compile - - org.projectlombok - lombok - 1.18.30 - + + + + + + + + + + + + + + + - - + + + - - - - + + + - - - org.hibernate - hibernate-core - 5.6.15.Final - - - org.apache.httpcomponents - httpclient - 4.5.14 - - - com.google.inject - guice - 5.0.1 - - - javax.ws.rs - javax.ws.rs-api - 2.1.1 - - - ch.qos.logback - logback-classic - 1.1.11 - + + + + + - - uk.ac.ebi.intact.maven - intact-hibernate-master - 48-SNAPSHOT - + + + + + - - com.h2database - h2 - ${h2.version} - test - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index b58262f8b..b41581c22 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -2,8 +2,6 @@ import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; - import java.io.*; import java.net.HttpURLConnection; import java.net.URL; @@ -12,7 +10,7 @@ import java.util.zip.GZIPInputStream; @RequiredArgsConstructor -public class OrthologsFileReader { +public class OrthologsFileReader{ String urlToDB; String dataExtractedPath; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 8141e9511..5e764bf55 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -1,45 +1,35 @@ package uk.ac.ebi.intact.ortholog; import lombok.RequiredArgsConstructor; -import org.hibernate.jpa.boot.internal.EntityManagerFactoryBuilderImpl; -import org.springframework.beans.factory.annotation.Autowired; -import org.springframework.beans.factory.annotation.Qualifier; import org.springframework.context.ApplicationContext; import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; import uk.ac.ebi.intact.jami.dao.IntactDao; -import uk.ac.ebi.intact.jami.dao.impl.IntactDaoImpl; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - -import javax.persistence.EntityManager; -import javax.persistence.EntityManagerFactory; -import java.io.*; import java.util.*; - +import java.io.IOException; @RequiredArgsConstructor public class OrthologsManager { private final IntactDao intactDao; + private final OrthologsProteinAssociation orthologsProteinAssociation; public static void main(String[] args) throws IOException, BridgeFailedException { ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); - // Retrieve beans and use them + OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); - String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; // OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ -// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new IntactDaoImpl()); -// List proteins = orthologsProteinAssociation.getIntactProtein(); - List prot = orthologsProteinAssociation.getIntactProtein(); - + Collection proteins = orthologsProteinAssociation.getIntactProtein(); + System.out.println(proteins); } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 57f640583..b96c40ed0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -1,48 +1,25 @@ package uk.ac.ebi.intact.ortholog; -import lombok.Getter; -import lombok.RequiredArgsConstructor; -import lombok.Setter; -import org.springframework.beans.factory.annotation.Autowired; -import org.springframework.beans.factory.annotation.Qualifier; -import org.springframework.transaction.annotation.Propagation; -import org.springframework.transaction.annotation.Transactional; -import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; - import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.jami.synchronizer.listener.impl.DbSynchronizerStatisticsReporter; - +import java.util.Collection; import java.util.HashMap; import java.util.List; import java.util.Map; -import javax.persistence.EntityManager; - - public class OrthologsProteinAssociation { - @Setter - @Autowired - private EntityManager entityManager; - private final IntactDao intactDao; - private DbSynchronizerStatisticsReporter synchronizerListener; public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; -// this.intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - } - - public List getIntactProtein(){ -// EntityManager manager = intactDao.getEntityManager(); -// intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - + public Collection getIntactProtein(){ String proteinID = "P77650"; - - return intactDao.getProteinDao().getAll(); +// Collection proteins = intactDao.getProteinDao().getAll(); +// return intactDao.getProteinDao().getAll(); + return (Collection) intactDao.getProteinDao().getByAc(proteinID); } public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index bc8d8f383..5dd3483e4 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,5 +1,6 @@ package uk.ac.ebi.intact.ortholog; +import org.springframework.batch.item.ItemWriter; import psidev.psi.mi.jami.model.Protein; import psidev.psi.mi.jami.model.Xref; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index f5f17dc38..d327edd5b 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -28,10 +28,8 @@ + p:dataSource-ref="jamiCoreDataSource" p:transactionManager-ref="jamiTransactionManager" /> - + + @@ -181,41 +180,41 @@ - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + From 28ee714053581ffb7d372c5b66a85a7af4db11e2 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 30 Jul 2024 16:57:36 +0100 Subject: [PATCH 06/62] Fetching of all intact proteins OK Association of protein objects with panther ID in progress Starting to work on adding of Xrefs to the proteins --- intact-orthology-import/pom.xml | 8 ++-- .../intact/ortholog/OrthologsFileParser.java | 1 - .../intact/ortholog/OrthologsFileReader.java | 4 +- .../ebi/intact/ortholog/OrthologsManager.java | 46 +++++++++++++++---- .../ortholog/OrthologsProteinAssociation.java | 34 ++++++++------ .../intact/ortholog/OrthologsXrefWriter.java | 33 ++++++------- .../META-INF/orthology-import-spring.xml | 15 +++--- .../META-INF/orthology-import.properties | 4 +- 8 files changed, 87 insertions(+), 58 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 1a35a2c78..c7c852661 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,5 +1,6 @@ - 4.0.0 @@ -40,6 +41,7 @@ java -Xmx2024m + -Xms256m -classpath uk.ac.ebi.intact.ortholog.OrthologsManager @@ -152,6 +154,7 @@ compile + @@ -183,9 +186,6 @@ - - - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b0ff82692..7ffba2194 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -42,7 +42,6 @@ public static Map parseFile(String filePath) { while (pantherMatcher.find()) { uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); } - } } catch (IOException e) { throw new RuntimeException(e); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index b41581c22..7d979966f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -28,7 +28,7 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio Instant startTime = Instant.now(); if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL"); + System.out.println("Connected to URL."); try (InputStream in = connection.getInputStream(); GZIPInputStream gis = new GZIPInputStream(in); TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { @@ -51,7 +51,7 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio } finally { connection.disconnect(); - System.out.println("Disconnected from URL"); + System.out.println("Disconnected from URL."); } } else { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 5e764bf55..3e502af86 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -4,32 +4,62 @@ import org.springframework.context.ApplicationContext; import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import java.io.BufferedWriter; +import java.io.FileWriter; import java.util.*; import java.io.IOException; + @RequiredArgsConstructor public class OrthologsManager { - private final IntactDao intactDao; - private final OrthologsProteinAssociation orthologsProteinAssociation; - public static void main(String[] args) throws IOException, BridgeFailedException { ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); + OrthologsXrefWriter orthologsXrefWriter = context.getBean("orthologsXrefWriter", OrthologsXrefWriter.class); + String reportFile = "orthologsReport.txt"; String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; -// OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ + String report = ""; + + OrthologsFileReader.decompressGzip(urlPanther,filePath);// working + + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working + System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); + report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; + + + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + System.out.println("Total number of Intact proteins: " + proteins.size()); + report += "Total number of Intact proteins: " + proteins.size() + "\n"; + + Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherIndex(uniprotAndPanther, proteins); + System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); + report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; +// +// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); +// report += "Number of xref added" + "\n"; + + reportWriter(reportFile, report); + } - Collection proteins = orthologsProteinAssociation.getIntactProtein(); - System.out.println(proteins); + public static void reportWriter(String reportFile, String toWrite){ + try { + FileWriter fileWriter = new FileWriter(reportFile); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); + bufferedWriter.write(toWrite); + bufferedWriter.close(); + } + catch (Exception e) { + e.getStackTrace(); + } } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index b96c40ed0..fb26c5614 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,13 +2,14 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import java.util.Collection; -import java.util.HashMap; -import java.util.List; -import java.util.Map; +import javax.annotation.Resource; +import java.util.*; + + public class OrthologsProteinAssociation { + @Resource(name="intactDao") private final IntactDao intactDao; public OrthologsProteinAssociation(IntactDao intactDao) { @@ -16,21 +17,28 @@ public OrthologsProteinAssociation(IntactDao intactDao) { } public Collection getIntactProtein(){ - String proteinID = "P77650"; -// Collection proteins = intactDao.getProteinDao().getAll(); -// return intactDao.getProteinDao().getAll(); - return (Collection) intactDao.getProteinDao().getByAc(proteinID); + + //TODO: see if it is possible to fetch by UniprotKB to not have to fetch the whole db everytime + + System.out.println("Fetching Intact Proteins..."); + return intactDao.getProteinDao().getAll(); } - public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { + public Map associateProteinToPantherIndex(Map uniprotIdAndPanther, Collection intactProteins) { + System.out.println("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - for (IntactProtein intactProtein : intactProteins) { - for (Map.Entry entry : uniprotAndPanther.entrySet()){ - if (entry.getValue().equals(intactProtein.getAc())){ - intactProteinAndPanther.put(intactProtein, entry.getValue()); + for (Map.Entry entry : uniprotIdAndPanther.entrySet()){ + System.out.println("PANTHER " + entry.getKey() + ": " + entry.getValue()); + for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ + //TODO see why the uniprotKB cannot be used + System.out.println(iterator.next().getUniprotkb()); + if (entry.getValue().equals(iterator.next().getUniprotkb())){ + intactProteinAndPanther.put(iterator.next(), entry.getValue()); + System.out.println(iterator.next() + " -> " + entry.getValue()); } } } + System.out.println("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 5dd3483e4..c068263bc 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,32 +1,27 @@ package uk.ac.ebi.intact.ortholog; -import org.springframework.batch.item.ItemWriter; -import psidev.psi.mi.jami.model.Protein; import psidev.psi.mi.jami.model.Xref; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; import uk.ac.ebi.intact.jami.utils.IntactUtils; -//import uk.ac.ebi.complex.service.service.IntactComplexService; - import java.util.*; import java.util.Map; - public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "test"; + private final static String PANTHER_DATABASE_ID = "pantherDbId"; private final Map cvTermMap = new HashMap<>(); -// private final IntactComplexService intactComplexService; - - public void iterateThroughProteins(){ - + public void iterateThroughProteins(Map intactProteinAndPanther){ + for (Map.Entry entry : intactProteinAndPanther.entrySet()){ + IntactProtein protein = entry.getKey(); + String pantherId = entry.getValue(); + addOrthologyXref(protein, pantherId); + } } - public void addOrthologyXref(Map proteinAndPanther){ - IntactProtein protein = (IntactProtein) proteinAndPanther.keySet(); - String pantherId = proteinAndPanther.get(protein); + public void addOrthologyXref(IntactProtein protein, String pantherId){ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); @@ -35,23 +30,21 @@ public void addOrthologyXref(Map proteinAndPanther){ private InteractorXref newOrthologsXref(String id){ IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); - // Currently we use identity as qualifier, as we are only importing exact matches. - // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); return new InteractorXref(database, id, qualifier); } - private IntactCvTerm findCvTerm(String clazz, String id){ + private IntactCvTerm findCvTerm(String clazz, String id) { String key = clazz + "_" + id; if (cvTermMap.containsKey(key)) { return cvTermMap.get(key); } IntactCvTerm cvTerm = new IntactCvTerm(); // IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); -// if (cvTerm != null) { -// cvTermMap.put(key, cvTerm); -// return cvTerm; -// } + if (cvTerm != null) { + cvTermMap.put(key, cvTerm); + return cvTerm; + } // throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); return cvTerm; } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index d327edd5b..866ac5663 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -162,28 +162,25 @@ - - - - - + + + - - - - + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 9028939d1..3d6f9d39a 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,3 +1,5 @@ jami.user.context.id=ORTHOLOG_IMPORTER -orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file +reportFile = "orthologsReport.txt"; +filePath = "orthologsData.txt"; +urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; From f111ef7e508c2c4aab9ffed4487f798cda7f18cb Mon Sep 17 00:00:00 2001 From: Susie Date: Wed, 31 Jul 2024 16:58:38 +0100 Subject: [PATCH 07/62] Creation of a map containing IntactProtein and pantherID ok --- .../ebi/intact/ortholog/OrthologsManager.java | 16 +++--- .../ortholog/OrthologsProteinAssociation.java | 56 +++++++++++-------- 2 files changed, 41 insertions(+), 31 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 3e502af86..4310c5b3d 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -29,20 +29,20 @@ public static void main(String[] args) throws IOException, BridgeFailedException String report = ""; - OrthologsFileReader.decompressGzip(urlPanther,filePath);// working - +// OrthologsFileReader.decompressGzip(urlPanther,filePath);// working +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; +// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// System.out.println("Total number of Intact proteins: " + proteins.size()); +// report += "Total number of Intact proteins: " + proteins.size() + "\n"; +// Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther, proteins); - Collection proteins = orthologsProteinAssociation.getIntactProtein();// working - System.out.println("Total number of Intact proteins: " + proteins.size()); - report += "Total number of Intact proteins: " + proteins.size() + "\n"; - - Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherIndex(uniprotAndPanther, proteins); + Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); - report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; + report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // // orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); // report += "Number of xref added" + "\n"; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index fb26c5614..268253135 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -5,8 +5,6 @@ import javax.annotation.Resource; import java.util.*; - - public class OrthologsProteinAssociation { @Resource(name="intactDao") @@ -16,29 +14,41 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } - public Collection getIntactProtein(){ - - //TODO: see if it is possible to fetch by UniprotKB to not have to fetch the whole db everytime - - System.out.println("Fetching Intact Proteins..."); - return intactDao.getProteinDao().getAll(); - } - - public Map associateProteinToPantherIndex(Map uniprotIdAndPanther, Collection intactProteins) { - System.out.println("Associating Intact proteins to Panther identifier..."); - Map intactProteinAndPanther = new HashMap<>(); - for (Map.Entry entry : uniprotIdAndPanther.entrySet()){ - System.out.println("PANTHER " + entry.getKey() + ": " + entry.getValue()); - for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ - //TODO see why the uniprotKB cannot be used - System.out.println(iterator.next().getUniprotkb()); - if (entry.getValue().equals(iterator.next().getUniprotkb())){ - intactProteinAndPanther.put(iterator.next(), entry.getValue()); - System.out.println(iterator.next() + " -> " + entry.getValue()); - } + public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { + Map, String> intactProteinAndPanther = new HashMap<>(); + for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { + Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); + if (!intactProtein.isEmpty()) { + intactProteinAndPanther.put(intactProtein, entry.getValue()); } } - System.out.println("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } + +// public Collection getIntactProtein(){ +// System.out.println("Fetching Intact Proteins..."); +// return intactDao.getProteinDao().getAll(); +// } + +// public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { +// System.out.println("Associating Intact proteins to Panther identifier..."); +// Map intactProteinAndPanther = new HashMap<>(); +// for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ +// System.out.println(iterator.next().getUniprotkb()); +// System.out.println(iterator.next().getIdentifiers()); +// System.out.println(uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ +// intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// } +// +// System.out.println(iterator.next().getUniprotkb()); +// if (entry.getValue().equals(iterator.next().getUniprotkb())){ +// intactProteinAndPanther.put(iterator.next(), entry.getValue()); +// System.out.println(iterator.next() + " -> " + entry.getValue()); +// } +// } +// System.out.println("Intact proteins associated to Panther identifier."); +// return intactProteinAndPanther; +// } } From f0aacb500da5cc61546358d3207774a55eb24b11 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 1 Aug 2024 18:22:35 +0100 Subject: [PATCH 08/62] Association of proteins and pantherID ok --- .../ebi/intact/ortholog/OrthologsManager.java | 12 ++-- .../ortholog/OrthologsProteinAssociation.java | 60 ++++++++----------- .../META-INF/orthology-import-spring.xml | 4 +- 3 files changed, 35 insertions(+), 41 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 4310c5b3d..8f70f9248 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -30,17 +30,17 @@ public static void main(String[] args) throws IOException, BridgeFailedException String report = ""; // OrthologsFileReader.decompressGzip(urlPanther,filePath);// working -// + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; -// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working -// System.out.println("Total number of Intact proteins: " + proteins.size()); -// report += "Total number of Intact proteins: " + proteins.size() + "\n"; -// Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther, proteins); + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + System.out.println("Total number of Intact proteins: " + proteins.size()); + report += "Total number of Intact proteins: " + proteins.size() + "\n"; - Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); + Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); +// Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 268253135..74b6df71a 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -14,41 +14,33 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } - public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { - Map, String> intactProteinAndPanther = new HashMap<>(); - for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { - Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); - if (!intactProtein.isEmpty()) { - intactProteinAndPanther.put(intactProtein, entry.getValue()); - } - } - return intactProteinAndPanther; - } - -// public Collection getIntactProtein(){ -// System.out.println("Fetching Intact Proteins..."); -// return intactDao.getProteinDao().getAll(); -// } - -// public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { -// System.out.println("Associating Intact proteins to Panther identifier..."); -// Map intactProteinAndPanther = new HashMap<>(); -// for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ -// System.out.println(iterator.next().getUniprotkb()); -// System.out.println(iterator.next().getIdentifiers()); -// System.out.println(uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ -// intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// } -// -// System.out.println(iterator.next().getUniprotkb()); -// if (entry.getValue().equals(iterator.next().getUniprotkb())){ -// intactProteinAndPanther.put(iterator.next(), entry.getValue()); -// System.out.println(iterator.next() + " -> " + entry.getValue()); -// } +// public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { +// Map, String> intactProteinAndPanther = new HashMap<>(); +// for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { +// Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); +// if (!intactProtein.isEmpty()) { +// intactProteinAndPanther.put(intactProtein, entry.getValue()); // } -// System.out.println("Intact proteins associated to Panther identifier."); +// } // return intactProteinAndPanther; // } + + public Collection getIntactProtein(){ + System.out.println("Fetching Intact Proteins..."); + return intactDao.getProteinDao().getAll(); + } + + public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { + System.out.println("Associating Intact proteins to Panther identifier..."); + Map intactProteinAndPanther = new HashMap<>(); + for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ + System.out.println(iterator.next().getUniprotkb()); + if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ + intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); + System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); + } + } + System.out.println("Intact proteins associated to Panther identifier."); + return intactProteinAndPanther; + } } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 866ac5663..8c0a84fee 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -121,6 +121,7 @@ + true true false ${db.hbm2ddl} @@ -182,7 +183,8 @@ - + + From 54d5ff754ce8f21b2ee95adbdeeb481680e19cb7 Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 2 Aug 2024 16:45:19 +0100 Subject: [PATCH 09/62] Adding of panther xref to intact protein OK; (TO SEE for the panther db id) --- .../intact/ortholog/OrthologsFileParser.java | 1 - .../ebi/intact/ortholog/OrthologsManager.java | 9 ++- .../ortholog/OrthologsProteinAssociation.java | 56 ++++++++++++------- .../intact/ortholog/OrthologsXrefWriter.java | 1 + 4 files changed, 40 insertions(+), 27 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 7ffba2194..b81b67c7b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -18,7 +18,6 @@ public class OrthologsFileParser { String filePath; - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 8f70f9248..a40c60442 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -35,17 +35,16 @@ public static void main(String[] args) throws IOException, BridgeFailedException System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; - Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); System.out.println("Total number of Intact proteins: " + proteins.size()); report += "Total number of Intact proteins: " + proteins.size() + "\n"; Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); -// Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; -// -// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); -// report += "Number of xref added" + "\n"; + + orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); reportWriter(reportFile, report); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 74b6df71a..1821836a8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,11 +2,15 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + import javax.annotation.Resource; import java.util.*; +import java.util.logging.Logger; public class OrthologsProteinAssociation { + private static final Logger logger = Logger.getLogger(OrthologsProteinAssociation.class.getName()); + @Resource(name="intactDao") private final IntactDao intactDao; @@ -14,33 +18,43 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } -// public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { -// Map, String> intactProteinAndPanther = new HashMap<>(); -// for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { -// Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); -// if (!intactProtein.isEmpty()) { -// intactProteinAndPanther.put(intactProtein, entry.getValue()); -// } -// } -// return intactProteinAndPanther; -// } - public Collection getIntactProtein(){ - System.out.println("Fetching Intact Proteins..."); + logger.info("Fetching all Intact Proteins..."); return intactDao.getProteinDao().getAll(); } + public Collection flattenProteinCollection(Collection> nestedProteins) { + List flatProteins = new ArrayList<>(); + for (Collection proteinCollection : nestedProteins) { + flatProteins.addAll(proteinCollection); + } + return flatProteins; + } + + public Collection getFewIntactProtein() { + logger.info("Fetching few Intact Proteins..."); + List> fewIntactProteins = new ArrayList<>(); + List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); + + var proteinDao = intactDao.getProteinDao(); + for (String proteinToFetch : proteinsToFetch) { + fewIntactProteins.add(proteinDao.getByXref(proteinToFetch)); + } + return flattenProteinCollection(fewIntactProteins); + } + public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { - System.out.println("Associating Intact proteins to Panther identifier..."); + logger.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ - System.out.println(iterator.next().getUniprotkb()); - if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ - intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); - System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); - } + + for (IntactProtein protein : intactProteins) { + String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + System.out.println(protein.getUniprotkb() + " -> " + pantherId); } - System.out.println("Intact proteins associated to Panther identifier."); + } + logger.info("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index c068263bc..24a81c68f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -18,6 +18,7 @@ public void iterateThroughProteins(Map intactProteinAndPa IntactProtein protein = entry.getKey(); String pantherId = entry.getValue(); addOrthologyXref(protein, pantherId); + System.out.println(protein.getXrefs()); } } From 57800ffb0ee167698794c933eac7dec6b3b9e855 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 13:22:32 +0100 Subject: [PATCH 10/62] Adaptation of the code to use batches; Cleaning and correcting some minor issues; --- intact-orthology-import/importOrtholgy.sh | 2 +- intact-orthology-import/pom.xml | 125 +----------------- .../intact/ortholog/OrthologsFileParser.java | 7 +- .../intact/ortholog/OrthologsFileReader.java | 26 +--- .../ebi/intact/ortholog/OrthologsManager.java | 4 +- .../ortholog/OrthologsProteinAssociation.java | 14 +- .../intact/ortholog/OrthologsXrefWriter.java | 34 +++-- .../ortholog/jobs/OrthologsItemProcessor.java | 40 ++++++ .../ortholog/jobs/OrthologsItemReader.java | 52 ++++++++ .../ortholog/jobs/OrthologsReaderTasklet.java | 21 +++ .../jobs/ProteinCollectionWriter.java | 37 ++++++ .../META-INF/orthology-import-spring.xml | 101 +++++++++----- .../META-INF/orthology-import.properties | 8 +- orthologsReport.txt | 0 14 files changed, 253 insertions(+), 218 deletions(-) mode change 100644 => 100755 intact-orthology-import/importOrtholgy.sh create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java create mode 100644 orthologsReport.txt diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh old mode 100644 new mode 100755 index 3cdf54ac9..21cc5aee0 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -11,4 +11,4 @@ PROFILE=$1; echo "Profile: $PROFILE" -mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImportStep -Dmaven.test.skip +mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImport -Dmaven.test.skip \ No newline at end of file diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index c7c852661..d2e135528 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -8,11 +8,11 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 3.3.2-SNAPSHOT + 4.0.2-SNAPSHOT intact-orthology-import - + jar intact-orthology-import @@ -44,10 +44,6 @@ -Xms256m -classpath - uk.ac.ebi.intact.ortholog.OrthologsManager - uk.ac.ebi.intact.ortholog.OrthologsFileReader - uk.ac.ebi.intact.ortholog.OrthologsFileParser - uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation psidev.psi.mi.jami.batch.MIBatchJobManager classpath*:/META-INF/orthology-import-spring.xml ${job.name} @@ -57,44 +53,11 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + @@ -154,87 +117,5 @@ compile - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b81b67c7b..01cc3ecbc 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,7 +1,5 @@ package uk.ac.ebi.intact.ortholog; -import lombok.RequiredArgsConstructor; - import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; @@ -13,11 +11,8 @@ import java.util.regex.Matcher; import java.util.regex.Pattern; -@RequiredArgsConstructor public class OrthologsFileParser { - String filePath; - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); @@ -50,4 +45,4 @@ public static Map parseFile(String filePath) { System.out.println("Processing time:" + Duration.between(startTime, endTime)); return uniprotAndPTHR; } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 7d979966f..39ea64e1e 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -1,7 +1,8 @@ package uk.ac.ebi.intact.ortholog; -import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; +import org.apache.commons.io.IOUtils; + import java.io.*; import java.net.HttpURLConnection; import java.net.URL; @@ -9,18 +10,8 @@ import java.time.Instant; import java.util.zip.GZIPInputStream; -@RequiredArgsConstructor public class OrthologsFileReader{ - String urlToDB; - String dataExtractedPath; - - public OrthologsFileReader(String urlPanther, String filePath) { - urlToDB = urlPanther; - dataExtractedPath = filePath; - } - - public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); @@ -35,14 +26,9 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio System.out.println("Decompressing..."); while (tis.getNextTarEntry() != null) { File outputFile = new File(filePath); - try (FileOutputStream fos = new FileOutputStream(outputFile, false); - // the false make it write over existing data - BufferedOutputStream bos = new BufferedOutputStream(fos)) { - byte[] buffer = new byte[4096]; - int len; - while ((len = tis.read(buffer)) != -1) { - bos.write(buffer, 0, len); - } + try (FileOutputStream fos = new FileOutputStream(outputFile, false)) { + // the false make it write over existing data + IOUtils.copy(tis, fos); } } System.out.println("File decompressed, data in " + filePath); @@ -58,4 +44,4 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio System.out.println("GZIP returned unexpected response: " + responseCode); } } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index a40c60442..2a19e7fa8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -11,6 +11,7 @@ import java.util.*; import java.io.IOException; +// This class is just for testing @RequiredArgsConstructor public class OrthologsManager { @@ -44,7 +45,7 @@ public static void main(String[] args) throws IOException, BridgeFailedException System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; - orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); +// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); reportWriter(reportFile, report); } @@ -61,4 +62,3 @@ public static void reportWriter(String reportFile, String toWrite){ } } } - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 1821836a8..7bbc8beba 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -23,24 +23,18 @@ public Collection getIntactProtein(){ return intactDao.getProteinDao().getAll(); } - public Collection flattenProteinCollection(Collection> nestedProteins) { - List flatProteins = new ArrayList<>(); - for (Collection proteinCollection : nestedProteins) { - flatProteins.addAll(proteinCollection); - } - return flatProteins; - } + // Method below are just for testing public Collection getFewIntactProtein() { logger.info("Fetching few Intact Proteins..."); - List> fewIntactProteins = new ArrayList<>(); + List fewIntactProteins = new ArrayList<>(); List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); var proteinDao = intactDao.getProteinDao(); for (String proteinToFetch : proteinsToFetch) { - fewIntactProteins.add(proteinDao.getByXref(proteinToFetch)); + fewIntactProteins.addAll(proteinDao.getByXref(proteinToFetch)); } - return flattenProteinCollection(fewIntactProteins); + return fewIntactProteins; } public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 24a81c68f..c62029b24 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,52 +1,50 @@ package uk.ac.ebi.intact.ortholog; +import lombok.RequiredArgsConstructor; import psidev.psi.mi.jami.model.Xref; +import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; +import uk.ac.ebi.intact.jami.service.InteractorService; import uk.ac.ebi.intact.jami.utils.IntactUtils; import java.util.*; import java.util.Map; +@RequiredArgsConstructor public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "pantherDbId"; + private final static String PANTHER_DATABASE_ID = "EBI-968064"; + private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); + private final IntactDao intactDao; + private final InteractorService interactorService; - public void iterateThroughProteins(Map intactProteinAndPanther){ - for (Map.Entry entry : intactProteinAndPanther.entrySet()){ - IntactProtein protein = entry.getKey(); - String pantherId = entry.getValue(); - addOrthologyXref(protein, pantherId); - System.out.println(protein.getXrefs()); - } - } - public void addOrthologyXref(IntactProtein protein, String pantherId){ + public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); } + this.interactorService.saveOrUpdate(protein); } - private InteractorXref newOrthologsXref(String id){ - IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); - IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); + private InteractorXref newOrthologsXref(String id) throws Exception{ + IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_MI); + IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.SEE_ALSO_MI); return new InteractorXref(database, id, qualifier); } - private IntactCvTerm findCvTerm(String clazz, String id) { + private IntactCvTerm findCvTerm(String clazz, String id) throws Exception { String key = clazz + "_" + id; if (cvTermMap.containsKey(key)) { return cvTermMap.get(key); } - IntactCvTerm cvTerm = new IntactCvTerm(); -// IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); + IntactCvTerm cvTerm = intactDao.getCvTermDao().getByMIIdentifier(id,clazz); if (cvTerm != null) { cvTermMap.put(key, cvTerm); return cvTerm; } -// throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); - return cvTerm; + throw new Exception("CV Term not found with class '" + clazz + "' and id '" + id + "'"); } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java new file mode 100644 index 000000000..a24c51859 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java @@ -0,0 +1,40 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemProcessor; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; + +import java.util.Map; + +@RequiredArgsConstructor +public class OrthologsItemProcessor implements ItemProcessor, IntactProtein>, ItemStream { + + private final OrthologsXrefWriter orthologsXrefWriter; + + @Override + public IntactProtein process(Map.Entry item) throws Exception { + IntactProtein protein = item.getKey(); + String pantherId = item.getValue(); + orthologsXrefWriter.addOrthologyXref(protein, pantherId); + return protein; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java new file mode 100644 index 000000000..08531972d --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -0,0 +1,52 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemReader; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.NonTransientResourceException; +import org.springframework.batch.item.ParseException; +import org.springframework.batch.item.UnexpectedInputException; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; + +import java.util.Collection; +import java.util.Iterator; +import java.util.Map; + +@RequiredArgsConstructor +public class OrthologsItemReader implements ItemReader>, ItemStream { + + private final IntactDao intactDao; + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + + private Iterator> uniprotAndPantherIterator; + + @Override + public Map.Entry read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + return uniprotAndPantherIterator.hasNext() ? uniprotAndPantherIterator.next() : null; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + Collection allProteins = intactDao.getProteinDao().getAll(); + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + Map uniprotAndPantherMap = orthologsProteinAssociation + .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); + uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java new file mode 100644 index 000000000..d7f9d3f10 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java @@ -0,0 +1,21 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.core.StepContribution; +import org.springframework.batch.core.scope.context.ChunkContext; +import org.springframework.batch.core.step.tasklet.Tasklet; +import org.springframework.batch.repeat.RepeatStatus; +import uk.ac.ebi.intact.ortholog.OrthologsFileReader; + +@RequiredArgsConstructor +public class OrthologsReaderTasklet implements Tasklet { + + private final String urlPanther; + private final String filePath; + + @Override + public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext) throws Exception { + OrthologsFileReader.decompressGzip(urlPanther, filePath); + return RepeatStatus.FINISHED; + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java new file mode 100644 index 000000000..cc44bb4b3 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java @@ -0,0 +1,37 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.ItemWriter; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.service.InteractorService; + +import java.util.List; + +@RequiredArgsConstructor +public class ProteinCollectionWriter implements ItemWriter, ItemStream { + + private final InteractorService interactorService; + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } + + @Override + public void write(List items) throws Exception { + interactorService.saveOrUpdate(items); + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 8c0a84fee..f6ffd1025 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -28,8 +28,10 @@ + p:dataSource-ref="jamiCoreDataSource" + p:transactionManager-ref="jamiTransactionManager" /> - - - - + + - + - + + + - + + + - + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - + - - + + + + - - - - + + + + + + + + - - - - - - - + + - - + + + - - - + + + + + - - - + + + \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 3d6f9d39a..41ce91064 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,5 +1,7 @@ jami.user.context.id=ORTHOLOG_IMPORTER -reportFile = "orthologsReport.txt"; -filePath = "orthologsData.txt"; -urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; +reportFile=orthologsReport.txt +filePath=orthologsData.txt +urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz + +ac.prefix=EBI \ No newline at end of file diff --git a/orthologsReport.txt b/orthologsReport.txt new file mode 100644 index 000000000..e69de29bb From 2399dba8c36c4eb48cb6cce62a4ff64357b4b962 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 14:02:24 +0100 Subject: [PATCH 11/62] adding of loggers instead of system.out --- .../intact/ortholog/OrthologsFileParser.java | 11 ++++++----- .../intact/ortholog/OrthologsFileReader.java | 18 ++++++++---------- .../ortholog/OrthologsProteinAssociation.java | 10 +++++----- 3 files changed, 19 insertions(+), 20 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 01cc3ecbc..26d42d7c0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -3,22 +3,23 @@ import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; -import java.time.Duration; import java.time.Instant; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; +import java.util.logging.Logger; import java.util.regex.Matcher; import java.util.regex.Pattern; public class OrthologsFileParser { + private static final Logger log = Logger.getLogger(OrthologsFileParser.class.getName()); + public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); Map uniprotAndPTHR = new HashMap<>(); - Instant startTime = Instant.now(); - System.out.println("Parsing file..."); + log.info("Parsing file..."); try ( BufferedReader reader = new BufferedReader(new FileReader(filePath))) { @@ -41,8 +42,8 @@ public static Map parseFile(String filePath) { throw new RuntimeException(e); } Instant endTime = Instant.now(); - System.out.println("File parsed"); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); + log.info("File parsed."); + log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 39ea64e1e..a77e3769e 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -6,24 +6,24 @@ import java.io.*; import java.net.HttpURLConnection; import java.net.URL; -import java.time.Duration; -import java.time.Instant; +import java.util.logging.Logger; import java.util.zip.GZIPInputStream; public class OrthologsFileReader{ + private static final Logger log = Logger.getLogger(OrthologsFileReader.class.getName()); + public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); int responseCode = connection.getResponseCode(); - Instant startTime = Instant.now(); if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL."); + log.info("Connected to URL."); try (InputStream in = connection.getInputStream(); GZIPInputStream gis = new GZIPInputStream(in); TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { - System.out.println("Decompressing..."); + log.info("Decompressing..."); while (tis.getNextTarEntry() != null) { File outputFile = new File(filePath); try (FileOutputStream fos = new FileOutputStream(outputFile, false)) { @@ -31,17 +31,15 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio IOUtils.copy(tis, fos); } } - System.out.println("File decompressed, data in " + filePath); - Instant endTime = Instant.now(); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); + log.info("File decompressed, data in " + filePath); } finally { connection.disconnect(); - System.out.println("Disconnected from URL."); + log.info("Disconnected from URL."); } } else { - System.out.println("GZIP returned unexpected response: " + responseCode); + log.info("GZIP returned unexpected response: " + responseCode); } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 7bbc8beba..2461f7c20 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -9,7 +9,7 @@ public class OrthologsProteinAssociation { - private static final Logger logger = Logger.getLogger(OrthologsProteinAssociation.class.getName()); + private static final Logger log = Logger.getLogger(OrthologsProteinAssociation.class.getName()); @Resource(name="intactDao") private final IntactDao intactDao; @@ -19,14 +19,14 @@ public OrthologsProteinAssociation(IntactDao intactDao) { } public Collection getIntactProtein(){ - logger.info("Fetching all Intact Proteins..."); + log.info("Fetching all Intact Proteins..."); return intactDao.getProteinDao().getAll(); } // Method below are just for testing public Collection getFewIntactProtein() { - logger.info("Fetching few Intact Proteins..."); + log.info("Fetching few Intact Proteins..."); List fewIntactProteins = new ArrayList<>(); List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); @@ -38,7 +38,7 @@ public Collection getFewIntactProtein() { } public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { - logger.info("Associating Intact proteins to Panther identifier..."); + log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); for (IntactProtein protein : intactProteins) { @@ -48,7 +48,7 @@ public Map associateAllProteinsToPantherId(Map " + pantherId); } } - logger.info("Intact proteins associated to Panther identifier."); + log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); return intactProteinAndPanther; } } \ No newline at end of file From fe6116018328967f751199f8a65598e0b18470b0 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 16:57:11 +0100 Subject: [PATCH 12/62] remove of loggers for log4j; cleaning up --- .../intact/ortholog/OrthologsFileParser.java | 8 +++----- .../intact/ortholog/OrthologsFileReader.java | 6 ++---- .../ortholog/OrthologsProteinAssociation.java | 11 ++++++----- .../intact/ortholog/OrthologsXrefWriter.java | 2 -- .../ortholog/jobs/OrthologsItemProcessor.java | 1 - .../ortholog/jobs/OrthologsItemReader.java | 4 +--- .../META-INF/orthology-import-spring.xml | 18 ++---------------- 7 files changed, 14 insertions(+), 36 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 26d42d7c0..b78704023 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,20 +1,19 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; + import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; -import java.time.Instant; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; -import java.util.logging.Logger; import java.util.regex.Matcher; import java.util.regex.Pattern; +@Log4j public class OrthologsFileParser { - private static final Logger log = Logger.getLogger(OrthologsFileParser.class.getName()); - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); @@ -41,7 +40,6 @@ public static Map parseFile(String filePath) { } catch (IOException e) { throw new RuntimeException(e); } - Instant endTime = Instant.now(); log.info("File parsed."); log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index a77e3769e..67a91eb04 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -1,18 +1,16 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; import org.apache.commons.io.IOUtils; - import java.io.*; import java.net.HttpURLConnection; import java.net.URL; -import java.util.logging.Logger; import java.util.zip.GZIPInputStream; +@Log4j public class OrthologsFileReader{ - private static final Logger log = Logger.getLogger(OrthologsFileReader.class.getName()); - public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 2461f7c20..c5425eae3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -1,16 +1,14 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - import javax.annotation.Resource; import java.util.*; -import java.util.logging.Logger; +@Log4j public class OrthologsProteinAssociation { - private static final Logger log = Logger.getLogger(OrthologsProteinAssociation.class.getName()); - @Resource(name="intactDao") private final IntactDao intactDao; @@ -41,11 +39,14 @@ public Map associateAllProteinsToPantherId(Map intactProteinAndPanther = new HashMap<>(); + int counter = 0; + for (IntactProtein protein : intactProteins) { String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); if (pantherId != null) { + counter += 1; intactProteinAndPanther.put(protein, pantherId); - System.out.println(protein.getUniprotkb() + " -> " + pantherId); + System.out.println(protein.getUniprotkb() + " -> " + pantherId + " index = " + counter); } } log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index c62029b24..520cc417f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -14,7 +14,6 @@ @RequiredArgsConstructor public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "EBI-968064"; private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); private final IntactDao intactDao; @@ -26,7 +25,6 @@ public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exc if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); } - this.interactorService.saveOrUpdate(protein); } private InteractorXref newOrthologsXref(String id) throws Exception{ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java index a24c51859..f9b50822f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java @@ -7,7 +7,6 @@ import org.springframework.batch.item.ItemStreamException; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; - import java.util.Map; @RequiredArgsConstructor diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java index 08531972d..df5b65943 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -8,7 +8,6 @@ import org.springframework.batch.item.NonTransientResourceException; import org.springframework.batch.item.ParseException; import org.springframework.batch.item.UnexpectedInputException; -import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; @@ -20,7 +19,6 @@ @RequiredArgsConstructor public class OrthologsItemReader implements ItemReader>, ItemStream { - private final IntactDao intactDao; private final OrthologsProteinAssociation orthologsProteinAssociation; private final String filePath; @@ -33,7 +31,7 @@ public Map.Entry read() throws Exception, UnexpectedInput @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - Collection allProteins = intactDao.getProteinDao().getAll(); + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); Map uniprotAndPantherMap = orthologsProteinAssociation .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index f6ffd1025..09e6f9c7b 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -178,9 +178,8 @@ - - - + + @@ -191,19 +190,6 @@ - - - - - - - - - - - - - From 57330b2cf334158c9c613790f37d581bce38d574 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 8 Aug 2024 16:54:25 +0100 Subject: [PATCH 13/62] Adding saving of last parsed panther index + loading from this saving --- intact-orthology-import/proteinAndPanther.txt | 1 + .../ortholog/OrthologsProteinAssociation.java | 58 +++++++++++++++++-- .../ortholog/jobs/OrthologsReaderTasklet.java | 2 +- 3 files changed, 55 insertions(+), 6 deletions(-) create mode 100644 intact-orthology-import/proteinAndPanther.txt diff --git a/intact-orthology-import/proteinAndPanther.txt b/intact-orthology-import/proteinAndPanther.txt new file mode 100644 index 000000000..cebd0c29f --- /dev/null +++ b/intact-orthology-import/proteinAndPanther.txt @@ -0,0 +1 @@ +P31377,PTHR19957,2057,2291 diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index c5425eae3..49441b181 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -4,6 +4,7 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import javax.annotation.Resource; +import java.io.*; import java.util.*; @Log4j @@ -38,18 +39,65 @@ public Collection getFewIntactProtein() { public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); + List intactProteinList = new ArrayList<>(intactProteins); int counter = 0; + int index = 0; + String[] lastSave= fetchFromStopped(); - for (IntactProtein protein : intactProteins) { - String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); + if (lastSave != null){ + index = Integer.parseInt(lastSave[3]); + counter = Integer.parseInt(lastSave[2]); + } + + for (int i = index; i < intactProteinList.size(); i++) { + IntactProtein protein = intactProteinList.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); if (pantherId != null) { counter += 1; - intactProteinAndPanther.put(protein, pantherId); - System.out.println(protein.getUniprotkb() + " -> " + pantherId + " index = " + counter); +// intactProteinAndPanther.put(protein, pantherId); + System.out.println(proteinId + " -> " + pantherId + " index = " + counter); + dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); } } - log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); + log.info("Number of protein associated to Panther identifier: " + counter); return intactProteinAndPanther; } + + public String[] fetchFromStopped() { + String line = dataReader(); + if (line != null) { + return line.split(","); + } + return null; + } + + public static String dataReader() { + String lastLine = null; + try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 4) { + lastLine = line; + } + } + return lastLine; + } catch (IOException e) { + throw new RuntimeException(e); + } + } + + public static void dataWriter(String toWrite){ + try { + FileWriter fileWriter = new FileWriter("proteinAndPanther.txt"); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); + bufferedWriter.write(toWrite); + bufferedWriter.close(); + } + catch (Exception e) { + e.getStackTrace(); + } + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java index d7f9d3f10..ffaf183de 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java @@ -15,7 +15,7 @@ public class OrthologsReaderTasklet implements Tasklet { @Override public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext) throws Exception { - OrthologsFileReader.decompressGzip(urlPanther, filePath); +// OrthologsFileReader.decompressGzip(urlPanther, filePath); return RepeatStatus.FINISHED; } } From aae70e1cc28d58e19ea3d2e05d0115116d7edc08 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 13 Aug 2024 16:54:12 +0100 Subject: [PATCH 14/62] Use of batches for the protein and panther association; does not solve the memory issue --- .../ebi/intact/ortholog/OrthologsManager.java | 18 +-- .../ortholog/OrthologsProteinAssociation.java | 103 ++++++++++++------ 2 files changed, 81 insertions(+), 40 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 2a19e7fa8..9c76b0455 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -33,21 +33,21 @@ public static void main(String[] args) throws IOException, BridgeFailedException // OrthologsFileReader.decompressGzip(urlPanther,filePath);// working Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working - System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); - report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; +// System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); +// report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; -// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working - Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); - System.out.println("Total number of Intact proteins: " + proteins.size()); - report += "Total number of Intact proteins: " + proteins.size() + "\n"; + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); +// System.out.println("Total number of Intact proteins: " + proteins.size()); +// report += "Total number of Intact proteins: " + proteins.size() + "\n"; Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); - System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); - report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; +// System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); +// report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); - reportWriter(reportFile, report); +// reportWriter(reportFile, report); } public static void reportWriter(String reportFile, String toWrite){ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 49441b181..f46eeb8d8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -6,6 +6,9 @@ import javax.annotation.Resource; import java.io.*; import java.util.*; +import java.util.concurrent.atomic.AtomicInteger; +import java.util.stream.Collectors; +import java.util.stream.Stream; @Log4j public class OrthologsProteinAssociation { @@ -22,7 +25,7 @@ public Collection getIntactProtein(){ return intactDao.getProteinDao().getAll(); } - // Method below are just for testing + // Method below is just for testing public Collection getFewIntactProtein() { log.info("Fetching few Intact Proteins..."); @@ -39,32 +42,70 @@ public Collection getFewIntactProtein() { public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - List intactProteinList = new ArrayList<>(intactProteins); +// List intactProteinList = new ArrayList<>(intactProteins); - int counter = 0; - int index = 0; - String[] lastSave= fetchFromStopped(); + int batchSize = 1000; - if (lastSave != null){ - index = Integer.parseInt(lastSave[3]); - counter = Integer.parseInt(lastSave[2]); - } + AtomicInteger batchCounter = new AtomicInteger(); + AtomicInteger counter = new AtomicInteger(0); + Stream intactProteinStream = intactProteins.stream(); + Stream> batches = batchStream(intactProteinStream, batchSize); - for (int i = index; i < intactProteinList.size(); i++) { - IntactProtein protein = intactProteinList.get(i); - String proteinId = protein.getUniprotkb(); - String pantherId = uniprotIdAndPanther.get(proteinId); - if (pantherId != null) { - counter += 1; -// intactProteinAndPanther.put(protein, pantherId); - System.out.println(proteinId + " -> " + pantherId + " index = " + counter); - dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); - } - } - log.info("Number of protein associated to Panther identifier: " + counter); + batches.forEach(batch -> { + for (int i = 0; i < batchSize; i++) { + counter.addAndGet(1); + IntactProtein protein = batch.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId + "," + (intactProteinAndPanther.size()) + "," + counter + "\n"); + } + } + batchCounter.addAndGet(1); + log.info("Finished processing batch, total processed proteins :" + (intactProteinAndPanther.size())); + }); + +// int counter = 0; +// int index = 0; +// int nProteinProcessed = 100; // to avoid log at each processed protein +// +// String[] lastSave= fetchFromStopped(); +// +// if (lastSave != null){ +// index = Integer.parseInt(lastSave[3]); +// counter = Integer.parseInt(lastSave[2]); +// } +// +// for (int i = index; i < intactProteinList.size(); i++) { +// IntactProtein protein = intactProteinList.get(i); +// String proteinId = protein.getUniprotkb(); +// String pantherId = uniprotIdAndPanther.get(proteinId); +// if (pantherId != null) { +// counter += 1; +//// intactProteinAndPanther.put(protein, pantherId); +// // is the system.out creating the memory issue? +// if ((counter) % nProteinProcessed == 0) { +// log.info("Protein processed: " + counter ); +// } +// dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); +// } +// } +// log.info("Number of protein associated to Panther identifier: " + counter); return intactProteinAndPanther; } + public Stream> batchStream(Stream proteinStream, int batchSize) { + List proteins = proteinStream.collect(Collectors.toList()); + int size = proteins.size(); + int numberOfBatches = (size + batchSize - 1) / batchSize; + + return Stream.iterate(0, n -> n + 1) + .limit(numberOfBatches) + .map(i -> proteins.subList(i * batchSize, (i + 1) * batchSize)); + + } + public String[] fetchFromStopped() { String line = dataReader(); if (line != null) { @@ -73,7 +114,7 @@ public String[] fetchFromStopped() { return null; } - public static String dataReader() { + public String dataReader() { String lastLine = null; try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { String line; @@ -83,21 +124,21 @@ public static String dataReader() { lastLine = line; } } + reader.close(); return lastLine; } catch (IOException e) { throw new RuntimeException(e); } } - public static void dataWriter(String toWrite){ - try { - FileWriter fileWriter = new FileWriter("proteinAndPanther.txt"); - BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); - bufferedWriter.write(toWrite); - bufferedWriter.close(); - } - catch (Exception e) { - e.getStackTrace(); + public void dataWriter(String toWrite) { + try (FileWriter fileWriter = new FileWriter("proteinAndPanther.txt", true); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { + bufferedWriter.write(toWrite); + bufferedWriter.newLine(); // Optionally add a newline after the text + + } catch (IOException e) { + e.printStackTrace(); // Print the stack trace to help with debugging } } } \ No newline at end of file From 840cec7059ed27f14f25ee4a1c4a94cbe049202d Mon Sep 17 00:00:00 2001 From: Susie Date: Wed, 14 Aug 2024 17:02:08 +0100 Subject: [PATCH 15/62] Use of spring batches for protein/panther association; Batches seems to work but stops at some points (~50prot: seems to be due to commits); fetching of the association results not finished; --- .../ortholog/OrthologsProteinAssociation.java | 37 +++++++++----- .../IntactProteinAndPantherProcessor.java | 42 ++++++++++++++++ .../jobs/IntactProteinAndPantherReader.java | 50 +++++++++++++++++++ .../jobs/IntactProteinAndPantherWriter.java | 37 ++++++++++++++ .../ortholog/jobs/OrthologsItemReader.java | 15 +++--- .../META-INF/orthology-import-spring.xml | 44 +++++++++++++++- 6 files changed, 205 insertions(+), 20 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index f46eeb8d8..89fe45ee3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -46,24 +46,22 @@ public Map associateAllProteinsToPantherId(Map intactProteinStream = intactProteins.stream(); Stream> batches = batchStream(intactProteinStream, batchSize); batches.forEach(batch -> { - for (int i = 0; i < batchSize; i++) { - counter.addAndGet(1); - IntactProtein protein = batch.get(i); - String proteinId = protein.getUniprotkb(); - String pantherId = uniprotIdAndPanther.get(proteinId); - if (pantherId != null) { - intactProteinAndPanther.put(protein, pantherId); - dataWriter(proteinId + "," + pantherId + "," + (intactProteinAndPanther.size()) + "," + counter + "\n"); - } + for (int i = 0; i < batchSize; i++) { + counter.addAndGet(1); + IntactProtein protein = batch.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId + "," + intactProteinAndPanther.size() + "," + counter); } - batchCounter.addAndGet(1); - log.info("Finished processing batch, total processed proteins :" + (intactProteinAndPanther.size())); + } + log.info("Finished processing batch, total processed proteins :" + intactProteinAndPanther.size()); }); // int counter = 0; @@ -114,6 +112,19 @@ public String[] fetchFromStopped() { return null; } + public Map associateOneProteinToPantherID(Map proteinAndPanther, IntactProtein protein){ + String proteinId = protein.getUniprotkb(); + String pantherId = proteinAndPanther.get(proteinId); + Map intactProteinAndPantherId = new HashMap<>(); + if (pantherId != null) { + intactProteinAndPantherId.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId); + log.info(proteinId + "," + pantherId); + return intactProteinAndPantherId; + } + return intactProteinAndPantherId; + } + public String dataReader() { String lastLine = null; try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { @@ -132,7 +143,7 @@ public String dataReader() { } public void dataWriter(String toWrite) { - try (FileWriter fileWriter = new FileWriter("proteinAndPanther.txt", true); + try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(toWrite); bufferedWriter.newLine(); // Optionally add a newline after the text diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java new file mode 100644 index 000000000..83596a09c --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java @@ -0,0 +1,42 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemProcessor; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import java.util.Map; + +@RequiredArgsConstructor +public class IntactProteinAndPantherProcessor implements ItemProcessor>, ItemStream { + + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + private Map uniprotAndPanther; + + @Override + public Map process(IntactProtein protein) throws Exception { + return orthologsProteinAssociation.associateOneProteinToPantherID(uniprotAndPanther, protein); + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + try { + uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + } catch (Exception e) { + throw new ItemStreamException("Error parsing the file: " + filePath, e); + } + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java new file mode 100644 index 000000000..12a24752a --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -0,0 +1,50 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemReader; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.NonTransientResourceException; +import org.springframework.batch.item.ParseException; +import org.springframework.batch.item.UnexpectedInputException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; + +import java.util.Collection; +import java.util.Iterator; +import java.util.Map; + +@RequiredArgsConstructor +public class IntactProteinAndPantherReader implements ItemReader, ItemStream { + + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + + private Iterator proteinIterator; + private Iterator> uniprotAndPantherIterator; + + @Override + public IntactProtein read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + return proteinIterator.hasNext() ? proteinIterator.next() : null; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); + proteinIterator = allProteins.iterator(); + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java new file mode 100644 index 000000000..b51953f81 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -0,0 +1,37 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.ItemWriter; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.service.InteractorService; + +import java.util.List; + +@RequiredArgsConstructor +public class IntactProteinAndPantherWriter implements ItemWriter, ItemStream { + + private final InteractorService interactorService; + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } + + @Override + public void write(List items) throws Exception { + interactorService.saveOrUpdate(items); + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java index df5b65943..2ec05e29b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -11,6 +11,7 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import uk.ac.ebi.intact.ortholog.jobs.IntactProteinAndPantherProcessor; import java.util.Collection; import java.util.Iterator; @@ -21,8 +22,10 @@ public class OrthologsItemReader implements ItemReader> uniprotAndPantherIterator; + private Map uniprotAndPanther; + private IntactProteinAndPantherProcessor processor; + @Override public Map.Entry read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { @@ -31,11 +34,11 @@ public Map.Entry read() throws Exception, UnexpectedInput @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - Collection allProteins = orthologsProteinAssociation.getIntactProtein(); - Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); - Map uniprotAndPantherMap = orthologsProteinAssociation - .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); - uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); +// Collection allProteins = orthologsProteinAssociation.getIntactProtein(); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// Map uniprotAndPantherMap = processor.process(); + //TODO: see how to fetch the uniprotAndPantherMap results +// uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); } @Override diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 09e6f9c7b..0be3eb96f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -190,6 +190,46 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -226,9 +266,11 @@ - + + + \ No newline at end of file From 370160c1b890b2ea62337a7fd66b19e2d7741f43 Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 16 Aug 2024 10:11:40 +0100 Subject: [PATCH 16/62] Modification of the parsing method to solve the memory issue --- intact-orthology-import/pom.xml | 6 + intact-orthology-import/proteinAndPanther.txt | 29819 +++++++++++++++- .../intact/ortholog/OrthologsFileParser.java | 53 +- .../ortholog/OrthologsProteinAssociation.java | 38 +- .../intact/ortholog/OrthologsXrefWriter.java | 7 +- .../IntactProteinAndPantherProcessor.java | 22 +- .../jobs/IntactProteinAndPantherReader.java | 27 +- .../jobs/IntactProteinAndPantherWriter.java | 42 +- .../META-INF/orthology-import-spring.xml | 81 +- .../META-INF/orthology-import.properties | 6 +- 10 files changed, 30018 insertions(+), 83 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index d2e135528..6a1dfebf5 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -117,5 +117,11 @@ compile + + commons-io + commons-io + 2.4 + + diff --git a/intact-orthology-import/proteinAndPanther.txt b/intact-orthology-import/proteinAndPanther.txt index cebd0c29f..312fe8814 100644 --- a/intact-orthology-import/proteinAndPanther.txt +++ b/intact-orthology-import/proteinAndPanther.txt @@ -1 +1,29818 @@ -P31377,PTHR19957,2057,2291 +P38084,PTHR43341,1,4 + +P41815,PTHR43341,2,5 + +P22035,PTHR45614,3,6 + +P38891,PTHR11825,4,9 + +P47176,PTHR11825,5,10 + +Q01389,PTHR48016,6,11 + +P32839,PTHR23070,7,13 + +P35817,PTHR22880,8,14 + +P39714,PTHR43161,9,15 + +P29366,PTHR15706,10,16 + +P39960,PTHR23176,11,17 + +P32873,PTHR23176,12,18 + +P39011,PTHR10957,13,19 + +P22804,PTHR12791,14,20 + +P20133,PTHR11774,15,21 + +P36149,PTHR13048,16,22 + +Q00618,PTHR11129,17,23 + +Q03630,PTHR23249,18,24 + +P47113,PTHR35140,19,25 + +P38934,PTHR31027,20,26 + +P15703,PTHR16631,21,27 + +P11709,PTHR18916,22,28 + +P40013,PTHR10623,23,29 + +P53744,PTHR45649,24,30 + +P50277,PTHR42684,25,31 + +P53630,PTHR43210,26,32 + +P47134,PTHR46771,27,33 + +Q01532,PTHR10363,28,34 + +P29311,PTHR18860,29,35 + +P34730,PTHR18860,30,36 + +Q08965,PTHR12858,31,37 + +P41832,PTHR47102,32,38 + +P53858,PTHR12751,33,39 + +P38041,PTHR22902,34,40 + +P39969,PTHR22902,35,41 + +P25385,PTHR21230,36,42 + +P48445,PTHR12835,37,43 + +P14772,PTHR24223,38,44 + +P48582,PTHR23030,39,45 + +Q08235,PTHR13634,40,46 + +P38356,PTHR13396,41,47 + +P47040,PTHR10981,42,48 + +P40314,PTHR10351,43,50 + +P53323,PTHR12209,44,51 + +P41695,PTHR14030,45,52 + +P26448,PTHR22957,46,53 + +P26449,PTHR10971,47,54 + +P33314,PTHR10194,48,55 + +P47136,PTHR36100,49,57 + +P25300,PTHR23113,50,58 + +P41697,PTHR22741,51,59 + +P48524,PTHR31904,52,61 + +P38822,PTHR15735,53,62 + +P07245,PTHR48099,54,63 + +P09440,PTHR48099,55,64 + +Q12495,PTHR15272,56,65 + +Q04199,PTHR15271,57,66 + +P80235,PTHR22589,58,67 + +P32796,PTHR22589,59,68 + +P24813,PTHR40621,60,69 + +P39101,PTHR45006,61,70 + +P43568,PTHR24056,62,71 + +P18898,PTHR11774,63,72 + +P25296,PTHR45942,64,73 + +P06787,PTHR23050,65,74 + +P27825,PTHR11073,66,75 + +P13711,PTHR10909,67,76 + +P28495,PTHR10653,68,77 + +P13517,PTHR10619,69,78 + +P17555,PTHR10652,70,79 + +P07258,PTHR11405,71,80 + +P03965,PTHR11405,72,81 + +Q03338,PTHR14212,73,82 + +Q00578,PTHR11274,74,83 + +P51998,PTHR10746,75,85 + +P40341,PTHR43655,76,86 + +P38206,PTHR13117,77,87 + +P53131,PTHR18934,78,88 + +P38852,PTHR13138,79,89 + +Q06411,PTHR23329,80,90 + +Q08963,PTHR10552,81,91 + +P39682,PTHR17204,82,92 + +P40204,PTHR10553,83,94 + +Q07508,PTHR12375,84,96 + +P32605,PTHR10501,85,97 + +P33203,PTHR11864,86,98 + +Q00916,PTHR13952,87,99 + +Q05900,PTHR31148,88,101 + +P47130,PTHR12732,89,102 + +Q03776,PTHR17204,90,104 + +Q00723,PTHR23142,91,105 + +Q92918,PTHR48012,92,106 + +P46108,PTHR19969,93,107 + +P21127,PTHR24056,94,110 + +P08575,PTHR19134,95,111 + +Q9Y4K4,PTHR48012,96,112 + +P06239,PTHR24418,97,113 + +Q07666,PTHR11208,98,114 + +P38753,PTHR45929,99,115 + +P06240,PTHR24418,100,117 + +P06332,PTHR11422,101,118 + +P01731,PTHR10441,102,119 + +Q9QXK9,PTHR14388,103,120 + 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+Q8H102,PTHR16223,14669,21241 + +Q9FG37,PTHR19302,14670,21242 + +Q9T0I6,PTHR11140,14671,21243 + +B3H4Y3,PTHR37710,14672,21244 + +O43312,PTHR15708,14673,21245 + +Q6NQ80,PTHR47820,14674,21246 + +P02340,PTHR11447,14675,21247 + +Q15262,PTHR19134,14676,21248 + +P55854,PTHR10562,14677,21249 + +Q8NEY8,PTHR15836,14678,21250 + +Q9LYR4,PTHR10683,14679,21251 + +Q9SUM2,PTHR11021,14680,21253 + +Q9FHQ5,PTHR31861,14681,21254 + +Q6IDC0,PTHR47747,14682,21256 + +P07548,PTHR45771,14683,21257 + +Q07171,PTHR11977,14684,21262 + +Q9VGU4,PTHR11188,14685,21263 + +P47708,PTHR45729,14686,21267 + +P63011,PTHR47980,14687,21268 + +P55258,PTHR47980,14688,21269 + +Q9VMI4,PTHR24224,14689,21271 + +O14787,PTHR10527,14690,21272 + +Q9VTH1,PTHR45622,14691,21274 + +Q64727,PTHR46180,14692,21276 + +P97311,PTHR11630,14693,21277 + +Q60862,PTHR14052,14694,21278 + +P49717,PTHR11630,14695,21279 + +Q61881,PTHR11630,14696,21280 + +Q17R13,PTHR24418,14697,21281 + +O88643,PTHR48015,14698,21282 + +G5E8K5,PTHR24198,14699,21283 + +Q9XZ14,PTHR11733,14700,21284 + +Q9VQB4,PTHR22604,14701,21286 + +O18973,PTHR23101,14702,21290 + +Q9NZ52,PTHR45905,14703,21291 + +Q9VQ89,PTHR16453,14704,21292 + +Q9VXY8,PTHR12406,14705,21299 + +Q6QNY0,PTHR31974,14706,21300 + +Q9UUM2,PTHR22940,14707,21301 + +O14350,PTHR13220,14708,21302 + +Q9D415,PTHR12353,14709,21303 + +Q8BFV3,PTHR10159,14710,21304 + +Q8R071,PTHR12400,14711,21305 + +D3ZZK3,PTHR46877,14712,21306 + +Q99104,PTHR13140,14713,21308 + +Q60823,PTHR24356,14714,21309 + +Q61411,PTHR24070,14715,21310 + +O04090,PTHR43112,14716,21311 + +P28496,PTHR12560,14717,21312 + +Q8H166,PTHR12411,14718,21314 + +Q9LIR4,PTHR21000,14719,21315 + +P27140,PTHR11002,14720,21316 + +Q9W468,PTHR45784,14721,21317 + +P42737,PTHR11002,14722,21319 + +Q9LS40,PTHR13683,14723,21320 + +P37702,PTHR10353,14724,21321 + +P28493,PTHR31048,14725,21322 + +P42734,PTHR42683,14726,21323 + +Q9FJY6,PTHR11122,14727,21324 + +Q9M5K3,PTHR22912,14728,21325 + +Q9CQ20,PTHR14315,14729,21326 + +P47133,PTHR12760,14730,21327 + +P47137,PTHR11732,14731,21328 + +P47138,PTHR24074,14732,21329 + +P47139,PTHR11440,14733,21330 + +P47140,PTHR23248,14734,21331 + +P38841,PTHR28288,14735,21333 + +P38842,PTHR10989,14736,21334 + +Q14194,PTHR11647,14737,21335 + +P38843,PTHR35329,14738,21336 + +P35080,PTHR13936,14739,21337 + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b78704023..0dce289d0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,10 +1,10 @@ package uk.ac.ebi.intact.ortholog; import lombok.extern.log4j.Log4j; +import org.apache.commons.io.FileUtils; -import java.io.BufferedReader; -import java.io.FileReader; -import java.io.IOException; +import java.io.*; +import java.nio.file.Path; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; @@ -44,4 +44,51 @@ public static Map parseFile(String filePath) { log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; } + + public static void parseFileAndSave(String inputFilePath, String outputDirPath) throws IOException { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + long uniprotAndPantherCount = 0; + log.info("Parsing file..."); + + File outputDir = new File(outputDirPath); + // First, we empty de directory to start clean + if (outputDir.exists()) { + FileUtils.deleteDirectory(outputDir); + } + outputDir.mkdirs(); + + try (BufferedReader reader = new BufferedReader(new FileReader(inputFilePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + for (String uniprotMatch : uniprotMatches) { + writePair(outputDir.toPath(), uniprotMatch, pantherMatcher.group()); + uniprotAndPantherCount += uniprotMatches.size(); + } + } + } + } + + log.info("File parsed."); + log.info("Number of Panther identifiers: " + uniprotAndPantherCount); + } + + private static void writePair(Path dirPath, String uniprotId, String pantherId) throws IOException { + Path filePath = dirPath.resolve(uniprotId); + try (FileWriter fileWriter = new FileWriter(filePath.toFile(), true); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { + bufferedWriter.write(uniprotId + "," + pantherId); + bufferedWriter.newLine(); // Optionally add a newline after the text + } + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 89fe45ee3..1fa32e744 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -5,6 +5,7 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import javax.annotation.Resource; import java.io.*; +import java.nio.file.Path; import java.util.*; import java.util.concurrent.atomic.AtomicInteger; import java.util.stream.Collectors; @@ -93,7 +94,7 @@ public Map associateAllProteinsToPantherId(Map> batchStream(Stream proteinStream, int batchSize) { + public Stream> batchStream(Stream proteinStream, int batchSize) { List proteins = proteinStream.collect(Collectors.toList()); int size = proteins.size(); int numberOfBatches = (size + batchSize - 1) / batchSize; @@ -102,14 +103,14 @@ public Stream> batchStream(Stream proteinStre .limit(numberOfBatches) .map(i -> proteins.subList(i * batchSize, (i + 1) * batchSize)); - } + } public String[] fetchFromStopped() { - String line = dataReader(); - if (line != null) { - return line.split(","); - } - return null; + String line = dataReader(); + if (line != null) { + return line.split(","); + } + return null; } public Map associateOneProteinToPantherID(Map proteinAndPanther, IntactProtein protein){ @@ -145,11 +146,30 @@ public String dataReader() { public void dataWriter(String toWrite) { try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { - bufferedWriter.write(toWrite); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.write(toWrite); + bufferedWriter.newLine(); // Optionally add a newline after the text } catch (IOException e) { e.printStackTrace(); // Print the stack trace to help with debugging } } + + public static Collection associateOneProteinToPantherIds(String dirPath, IntactProtein protein) throws IOException { + Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + List pantherIds = new ArrayList<>(); + try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 2) { + String proteinId = parts[0]; + if (proteinId.equals(protein.getUniprotkb())) { + pantherIds.add(parts[1]); + } + + } + } + } + return pantherIds; + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 520cc417f..942c066ac 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -17,7 +17,12 @@ public class OrthologsXrefWriter { private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); private final IntactDao intactDao; - private final InteractorService interactorService; + + public void addOrthologyXrefs(IntactProtein protein, Collection pantherIds) throws Exception{ + for (String pantherId: pantherIds) { + addOrthologyXref(protein, pantherId); + } + } public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java index 83596a09c..53bd2ed35 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java @@ -6,29 +6,23 @@ import org.springframework.batch.item.ItemStream; import org.springframework.batch.item.ItemStreamException; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.ortholog.OrthologsFileParser; -import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; -import java.util.Map; +import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; +import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; @RequiredArgsConstructor -public class IntactProteinAndPantherProcessor implements ItemProcessor>, ItemStream { +public class IntactProteinAndPantherProcessor implements ItemProcessor, ItemStream { - private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String filePath; - private Map uniprotAndPanther; + private final OrthologsXrefWriter orthologsXrefWriter; @Override - public Map process(IntactProtein protein) throws Exception { - return orthologsProteinAssociation.associateOneProteinToPantherID(uniprotAndPanther, protein); + public IntactProtein process(ProteinAndPantherGroup proteinAndPantherGroup) throws Exception { + orthologsXrefWriter.addOrthologyXrefs(proteinAndPantherGroup.getProtein(), proteinAndPantherGroup.getPantherIds()); + return proteinAndPantherGroup.getProtein(); } @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - try { - uniprotAndPanther = OrthologsFileParser.parseFile(filePath); - } catch (Exception e) { - throw new ItemStreamException("Error parsing the file: " + filePath, e); - } + } @Override diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 12a24752a..88e4ac5cb 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -11,27 +11,42 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; +import java.io.IOException; import java.util.Collection; import java.util.Iterator; -import java.util.Map; @RequiredArgsConstructor -public class IntactProteinAndPantherReader implements ItemReader, ItemStream { +public class IntactProteinAndPantherReader implements ItemReader, ItemStream { private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String filePath; + private final String uncompressedPantherFilePath; + private final String proteinPantherPairDirPath; private Iterator proteinIterator; - private Iterator> uniprotAndPantherIterator; @Override - public IntactProtein read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { - return proteinIterator.hasNext() ? proteinIterator.next() : null; + public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + while (proteinIterator.hasNext()) { + IntactProtein protein = proteinIterator.next(); + Collection pantherIds = OrthologsProteinAssociation + .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); + if (!pantherIds.isEmpty()) { + return new ProteinAndPantherGroup(protein, pantherIds); + } + } + return null; } @Override public void open(ExecutionContext executionContext) throws ItemStreamException { + try { + OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); + } catch (IOException e) { + throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); + } + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java index b51953f81..a387a7147 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -8,30 +8,58 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.service.InteractorService; +import java.io.BufferedWriter; +import java.io.FileWriter; +import java.io.IOException; import java.util.List; +import java.util.Map; @RequiredArgsConstructor -public class IntactProteinAndPantherWriter implements ItemWriter, ItemStream { +public class IntactProteinAndPantherWriter implements ItemWriter>, ItemStream { private final InteractorService interactorService; + private BufferedWriter bufferedWriter; @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - + try { + FileWriter fileWriter = new FileWriter("proteinAndPantherBatches2.txt", true); + bufferedWriter = new BufferedWriter(fileWriter); + } catch (IOException e) { + throw new ItemStreamException("Error opening file for writing", e); + } } @Override public void update(ExecutionContext executionContext) throws ItemStreamException { - + // Implement if needed for checkpointing } @Override public void close() throws ItemStreamException { - + try { + if (bufferedWriter != null) { + bufferedWriter.close(); + } + } catch (IOException e) { + throw new ItemStreamException("Error closing file writer", e); + } } @Override - public void write(List items) throws Exception { - interactorService.saveOrUpdate(items); + public void write(List> items) throws Exception { + try { + for (Map item : items) { + for (Map.Entry entry : item.entrySet()) { + String protein = entry.getKey().getUniprotkb(); + String pantherIndex = entry.getValue(); + bufferedWriter.write(protein + "," + pantherIndex); + bufferedWriter.newLine(); // Optionally add a newline after the text + } + } + bufferedWriter.flush(); // Ensure all data is written to the file + } catch (IOException e) { + throw new ItemStreamException("Error writing to file", e); + } } -} \ No newline at end of file +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 0be3eb96f..7525dd65f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -174,37 +174,37 @@ - + - - - - + + + + - - - + + + - - - + + + - + + - - + - + @@ -231,30 +231,30 @@ - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + @@ -269,8 +269,7 @@ - - + \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 41ce91064..f17cd4a42 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,7 +1,11 @@ jami.user.context.id=ORTHOLOG_IMPORTER reportFile=orthologsReport.txt -filePath=orthologsData.txt +#filePath=orthologsData.txt +uncompressedPantherFilePath=orthologsData.txt +#proteinPantherPairFilePath=ProteinAndOrthologPairs.txt urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz +proteinPantherPairDirPath=ProteinAndOrthologPairs + ac.prefix=EBI \ No newline at end of file From f431af003d9ff171f4b851b82775712eefc073c3 Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 16 Aug 2024 10:14:17 +0100 Subject: [PATCH 17/62] Modification of the parsing method to solve the memory issue --- .../ortholog/model/ProteinAndPantherGroup.java | 13 +++++++++++++ 1 file changed, 13 insertions(+) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java new file mode 100644 index 000000000..5b40174b5 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java @@ -0,0 +1,13 @@ +package uk.ac.ebi.intact.ortholog.model; + +import lombok.Value; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import java.util.Collection; + +@Value +public class ProteinAndPantherGroup { + + IntactProtein protein; + Collection pantherIds; +} \ No newline at end of file From 5b26e0e8c4e99a7d23ade69b8416a0367884b7f4 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 19 Aug 2024 16:26:35 +0100 Subject: [PATCH 18/62] Fixing some association issues (wrong writer used, path bugs); removal of useless comments --- .../intact/ortholog/OrthologsFileParser.java | 2 +- .../ortholog/OrthologsProteinAssociation.java | 30 +++++++++++-------- .../intact/ortholog/OrthologsXrefWriter.java | 2 -- .../jobs/IntactProteinAndPantherReader.java | 10 +++---- .../jobs/IntactProteinAndPantherWriter.java | 5 ++-- .../META-INF/orthology-import-spring.xml | 10 +++---- 6 files changed, 31 insertions(+), 28 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 0dce289d0..e60d8628c 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -88,7 +88,7 @@ private static void writePair(Path dirPath, String uniprotId, String pantherId) try (FileWriter fileWriter = new FileWriter(filePath.toFile(), true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(uniprotId + "," + pantherId); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 1fa32e744..52d062eb8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -147,27 +147,33 @@ public void dataWriter(String toWrite) { try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(toWrite); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } catch (IOException e) { - e.printStackTrace(); // Print the stack trace to help with debugging + e.printStackTrace(); } } public static Collection associateOneProteinToPantherIds(String dirPath, IntactProtein protein) throws IOException { - Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + String proteinAc = protein.getUniprotkb(); List pantherIds = new ArrayList<>(); - try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { - String line; - while ((line = reader.readLine()) != null) { - String[] parts = line.split(","); - if (parts.length == 2) { - String proteinId = parts[0]; - if (proteinId.equals(protein.getUniprotkb())) { - pantherIds.add(parts[1]); + if (proteinAc != null) { + Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + if (filePath.toFile().exists()) { + try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 2) { + String proteinId = parts[0]; + if (proteinId.equals(protein.getUniprotkb())) { + pantherIds.add(parts[1]); + } + + } } - } + return pantherIds; } } return pantherIds; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 942c066ac..8960a5632 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -6,7 +6,6 @@ import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; -import uk.ac.ebi.intact.jami.service.InteractorService; import uk.ac.ebi.intact.jami.utils.IntactUtils; import java.util.*; import java.util.Map; @@ -24,7 +23,6 @@ public void addOrthologyXrefs(IntactProtein protein, Collection pantherI } } - public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 88e4ac5cb..4baea3cea 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -41,11 +41,11 @@ public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - try { - OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); - } catch (IOException e) { - throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); - } +// try { +// OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); +// } catch (IOException e) { +// throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); +// } Collection allProteins = orthologsProteinAssociation.getIntactProtein(); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java index a387a7147..23855bbab 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -32,7 +32,6 @@ public void open(ExecutionContext executionContext) throws ItemStreamException { @Override public void update(ExecutionContext executionContext) throws ItemStreamException { - // Implement if needed for checkpointing } @Override @@ -54,10 +53,10 @@ public void write(List> items) throws Excep String protein = entry.getKey().getUniprotkb(); String pantherIndex = entry.getValue(); bufferedWriter.write(protein + "," + pantherIndex); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } } - bufferedWriter.flush(); // Ensure all data is written to the file + bufferedWriter.flush(); } catch (IOException e) { throw new ItemStreamException("Error writing to file", e); } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 7525dd65f..688447e4c 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -186,9 +186,9 @@ - - - + + + @@ -213,7 +213,7 @@ @@ -224,7 +224,7 @@ - + From fd6dc9d6c73947da568c0d1546aaee300a4dc297 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 15 Jul 2024 16:47:41 +0100 Subject: [PATCH 19/62] create orthology grouper --- intact-orthology-import/pom.xml | 67 ++++++ .../ebi/intact/ortholog/OrthologsGrouper.java | 55 +++++ .../META-INF/orthology-import-spring.xml | 223 ++++++++++++++++++ .../META-INF/orthology-import.properties | 7 + .../src/main/resources/log4j.properties | 43 ++++ .../dataexchange/OrthologsGrouperTest.java | 38 +++ pom.xml | 1 + 7 files changed, 434 insertions(+) create mode 100644 intact-orthology-import/pom.xml create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java create mode 100644 intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml create mode 100644 intact-orthology-import/src/main/resources/META-INF/orthology-import.properties create mode 100644 intact-orthology-import/src/main/resources/log4j.properties create mode 100644 intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml new file mode 100644 index 000000000..52e8e2447 --- /dev/null +++ b/intact-orthology-import/pom.xml @@ -0,0 +1,67 @@ + + 4.0.0 + + uk.ac.ebi.intact.dataexchange + intact-dataexchange-master + 3.3.2-SNAPSHOT + + + intact-orthology-import + jar + + intact-orthology-import + + + UTF-8 + 3.6.0-SNAPSHOT + 3.1.0-SNAPSHOT + 4.3.30.RELEASE + 1.3.4 + + + + + psidev.psi.mi.jami + jami-core + ${psi.jami.version} + + + + psidev.psi.mi.jami + jami-batch + ${psi.jami.version} + + + + psidev.psi.mi.jami.bridges + jami-uniprot + ${psi.jami.version} + + + org.slf4j + jcl-over-slf4j + + + + + + uk.ac.ebi.intact.jami + intact-jami + ${intact.jami.version} + + + + + org.springframework.retry + spring-retry + ${spring.retry.version} + + + + org.springframework + spring-aspects + ${spring.version} + + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java new file mode 100644 index 000000000..34ce1bf39 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java @@ -0,0 +1,55 @@ +package uk.ac.ebi.intact.ortholog; + +import java.io.BufferedReader; +import java.io.FileReader; +import java.io.IOException; +import java.util.*; +import java.util.regex.Matcher; +import java.util.regex.Pattern; + + +public class OrthologsGrouper { + public static void main(String[] args) { + String filePath = "/Users/susiehuget/Desktop/Orthologs/test.txt"; + Map uniprotAndPanther = parseFile(filePath); + uniprotToProtein(uniprotAndPanther); + + } + + private static void uniprotToProtein(Map uniprotAndPanther) { + for (Map.Entry entry : uniprotAndPanther.entrySet()) { + System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + } + } + + private static Map parseFile(String filePath) { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + Map uniprotAndPTHR = new HashMap<>(); + + try ( + BufferedReader reader = new BufferedReader(new FileReader(filePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); + } + + } + } catch (IOException e) { + throw new RuntimeException(e); + } + return uniprotAndPTHR; + } + + +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml new file mode 100644 index 000000000..af19f5f0d --- /dev/null +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -0,0 +1,223 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + true + false + ${db.hbm2ddl} + intact + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties new file mode 100644 index 000000000..d528aafbb --- /dev/null +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -0,0 +1,7 @@ +retry.maxAttempts=5 +retry.multiplier=2 +retry.maxDelay=5000 + +jami.user.context.id=ORTHOLOG_IMPORTER + +#orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/log4j.properties b/intact-orthology-import/src/main/resources/log4j.properties new file mode 100644 index 000000000..02e80decb --- /dev/null +++ b/intact-orthology-import/src/main/resources/log4j.properties @@ -0,0 +1,43 @@ +log4j.rootCategory=INFO, A + +log4j.category.uk.ac.ebi.intact=INFO + +# Hibernate +log4j.category.org.hibernate=ERROR + +log4j.category.org.hibernate.cfg=WARN + +log4j.category.org.hibernate.impl=ERROR +log4j.category.org.hibernate.loader=WARN +log4j.category.org.hibernate.util=ERROR +log4j.category.org.hibernate.persister=ERROR +log4j.category.org.hibernate.validator=ERROR + +log4j.category.org.hibernate.engine=INFO +log4j.category.org.hibernate.engine.internal=WARN +log4j.category.org.hibernate.event=INFO + +#Log all SQL DML statements as they are executed +log4j.category.org.hibernate.SQL=INFO +#Log all JDBC parameters +log4j.category.org.hibernate.type=INFO +#Log all SQL DDL statements as they are executed +log4j.category.org.hibernate.tool.hbm2ddl=ERROR +#Log the state of all entities (max 20 entities) associated with the session at flush time +log4j.category.org.hibernate.pretty=ERROR +#Log all second-level cache activity +log4j.category.org.hibernate.cache=INFO +#Log transaction related activity +log4j.category.org.hibernate.transaction=INFO +#Log all JDBC resource acquisition +log4j.category.org.hibernate.jdbc=INFO +#Log HQL and SQL ASTs during query parsing +log4j.category.org.hibernate.hql.ast.AST=INFO +#Log all JAAS authorization requests +log4j.category.org.hibernate.secure=INFO + +# ***** A is set to be a ConsoleAppender. +log4j.appender.A=org.apache.log4j.ConsoleAppender +# ***** A uses PatternLayout. +log4j.appender.A.layout=org.apache.log4j.PatternLayout +log4j.appender.A.layout.ConversionPattern=%d [%t] %-5p (%C{1},%L) - %m%n \ No newline at end of file diff --git a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java new file mode 100644 index 000000000..0cea70f43 --- /dev/null +++ b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java @@ -0,0 +1,38 @@ +package uk.ac.ebi.intact.dataexchange; + +import junit.framework.Test; +import junit.framework.TestCase; +import junit.framework.TestSuite; + +/** + * Unit test for simple App. + */ +public class OrthologsGrouperTest + extends TestCase +{ + /** + * Create the test case + * + * @param testName name of the test case + */ + public OrthologsGrouperTest(String testName ) + { + super( testName ); + } + + /** + * @return the suite of tests being tested + */ + public static Test suite() + { + return new TestSuite( OrthologsGrouperTest.class ); + } + + /** + * Rigourous Test :-) + */ + public void testApp() + { + assertTrue( true ); + } +} diff --git a/pom.xml b/pom.xml index e828ba93c..e37d7a48a 100644 --- a/pom.xml +++ b/pom.xml @@ -67,6 +67,7 @@ complex-pdb-export complex-tab-export complex-uniprot-dr-export + intact-orthology-import From 6cc7155e086ec267b7df967f09ec1039eb8ad17b Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 23 Jul 2024 11:37:41 +0100 Subject: [PATCH 20/62] create orthology grouper; fetching and parsing PANTHER file OK; fetching proteins and adding xref IN PROGRESS --- intact-orthology-import/pom.xml | 20 +++- .../ebi/intact/ortholog/OrthologsGrouper.java | 108 ++++++++++++++++-- .../META-INF/orthology-import-spring.xml | 6 +- .../META-INF/orthology-import.properties | 2 +- 4 files changed, 122 insertions(+), 14 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 52e8e2447..9435c7a80 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -9,7 +9,6 @@ intact-orthology-import jar - intact-orthology-import @@ -21,6 +20,12 @@ + + + + + + psidev.psi.mi.jami jami-core @@ -51,7 +56,6 @@ ${intact.jami.version} - org.springframework.retry spring-retry @@ -63,5 +67,17 @@ spring-aspects ${spring.version} + + + org.apache.commons + commons-compress + 1.21 + compile + + + org.projectlombok + lombok + 1.18.30 + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java index 34ce1bf39..cbf259450 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java @@ -1,22 +1,42 @@ package uk.ac.ebi.intact.ortholog; -import java.io.BufferedReader; -import java.io.FileReader; -import java.io.IOException; +import lombok.RequiredArgsConstructor; + +import java.io.*; +import java.net.HttpURLConnection; +import java.net.URL; +import java.time.Duration; +import java.time.Instant; import java.util.*; import java.util.regex.Matcher; import java.util.regex.Pattern; +import java.util.zip.GZIPInputStream; +import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; + +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +@RequiredArgsConstructor public class OrthologsGrouper { - public static void main(String[] args) { - String filePath = "/Users/susiehuget/Desktop/Orthologs/test.txt"; - Map uniprotAndPanther = parseFile(filePath); - uniprotToProtein(uniprotAndPanther); + private final UniprotProteinFetcher uniprotProteinFetcher; + + public static void main(String[] args) throws IOException, BridgeFailedException { + String filePath = "orthologsData.txt"; + String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; +// decompressGzip(urlPanther, filePath); +// parseFile(filePath); +// Map uniprotAndPanther = parseFile(filePath); +// uniprotToProtein(uniprotAndPanther); + + OrthologsGrouper orthologsGrouper = new OrthologsGrouper(new UniprotProteinFetcher()); + orthologsGrouper.getIntactProtein(); } - private static void uniprotToProtein(Map uniprotAndPanther) { + private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { + UniprotProteinFetcher proteinFetcher = new UniprotProteinFetcher(); for (Map.Entry entry : uniprotAndPanther.entrySet()) { System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); } @@ -26,6 +46,8 @@ private static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); Map uniprotAndPTHR = new HashMap<>(); + Instant startTime = Instant.now(); + System.out.println("Parsing file..."); try ( BufferedReader reader = new BufferedReader(new FileReader(filePath))) { @@ -48,8 +70,78 @@ private static Map parseFile(String filePath) { } catch (IOException e) { throw new RuntimeException(e); } + Instant endTime = Instant.now(); + System.out.println("File parsed"); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); return uniprotAndPTHR; } + public static void decompressGzip(String url, String filePath) throws IOException { + URL gzipUrl = new URL(url); + HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); + int responseCode = connection.getResponseCode(); + Instant startTime = Instant.now(); + + if (responseCode == HttpURLConnection.HTTP_OK) { + System.out.println("Connected to URL"); + try (InputStream in = connection.getInputStream(); + GZIPInputStream gis = new GZIPInputStream(in); + TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { + System.out.println("Decompressing..."); + while (tis.getNextTarEntry() != null) { + File outputFile = new File(filePath); + try (FileOutputStream fos = new FileOutputStream(outputFile, false); + // the false make it write over existing data + BufferedOutputStream bos = new BufferedOutputStream(fos)) { + byte[] buffer = new byte[4096]; + int len; + while ((len = tis.read(buffer)) != -1) { + bos.write(buffer, 0, len); + } + } + } + System.out.println("File decompressed, data in " + filePath); + Instant endTime = Instant.now(); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + } + finally { + connection.disconnect(); + System.out.println("Disconnected from URL"); + } + } + else { + System.out.println("GZIP returned unexpected response: " + responseCode); + } + } + + + //code from UniplexComplexManager l.165 + +// private void addPantherXref(UniplexCluster uniplexCluster, IntactComplex complex) throws CvTermNotFoundException { +// for (String clusterId: uniplexCluster.getClusterIds()) { +// InteractorXref xref = newHumapXref(clusterId); +// complex.getIdentifiers().add(xref); +// } +// +// for (String uniprotId: protein.AC()) { +// PantherXref xref = newPantherXref(pantherID); +// protein.getIdentifiers.add(xref); +// } +// +// } +// +// private InteractorXref newPantherXref(String id) throws CvTermNotFoundException { +// IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, HUMAP_DATABASE_ID); +// // Currently we use identity as qualifier, as we are only importing exact matches. +// // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). +// IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); +// return new InteractorXref(database, id, qualifier); +// } + + + private IntactProtein getIntactProtein() throws BridgeFailedException { + String proteinID = "Q8K305"; + return (IntactProtein) uniprotProteinFetcher.fetchByIdentifier(proteinID); + } } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index af19f5f0d..dc07f61bc 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -170,9 +170,9 @@ - - - + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index d528aafbb..c301e9924 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -4,4 +4,4 @@ retry.maxDelay=5000 jami.user.context.id=ORTHOLOG_IMPORTER -#orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file +orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file From 1d2c045e2d0b2682ebfb95da57eb2c49bd60f7e2 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 23 Jul 2024 15:48:49 +0100 Subject: [PATCH 21/62] Separation of the files --- intact-orthology-import/pom.xml | 74 +++++++++ .../intact/ortholog/OrthologsFileParser.java | 55 +++++++ .../intact/ortholog/OrthologsFileReader.java | 61 ++++++++ .../ebi/intact/ortholog/OrthologsGrouper.java | 147 ------------------ .../ebi/intact/ortholog/OrthologsManager.java | 36 +++++ .../ortholog/OrthologsProteinAssociation.java | 34 ++++ .../META-INF/orthology-import-spring.xml | 6 +- ...perTest.java => OrthologsManagerTest.java} | 6 +- 8 files changed, 268 insertions(+), 151 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java rename intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/{OrthologsGrouperTest.java => OrthologsManagerTest.java} (79%) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 9435c7a80..4875b29f7 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -19,13 +19,87 @@ 1.3.4 + + + + orthology-importer + + + + org.codehaus.mojo + exec-maven-plugin + + + install + + exec + + + + + java + + -Xmx2024m + -classpath + + psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + uk.ac.ebi.intact.bridges + intact-uniprot + ${bridges.version} + + + + net.sf.ehcache + ehcache + + + + psidev.psi.mi.jami jami-core diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java new file mode 100644 index 000000000..b0ff82692 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -0,0 +1,55 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; + +import java.io.BufferedReader; +import java.io.FileReader; +import java.io.IOException; +import java.time.Duration; +import java.time.Instant; +import java.util.ArrayList; +import java.util.HashMap; +import java.util.Map; +import java.util.regex.Matcher; +import java.util.regex.Pattern; + +@RequiredArgsConstructor +public class OrthologsFileParser { + + String filePath; + + + public static Map parseFile(String filePath) { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + Map uniprotAndPTHR = new HashMap<>(); + Instant startTime = Instant.now(); + System.out.println("Parsing file..."); + + try ( + BufferedReader reader = new BufferedReader(new FileReader(filePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); + } + + } + } catch (IOException e) { + throw new RuntimeException(e); + } + Instant endTime = Instant.now(); + System.out.println("File parsed"); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + return uniprotAndPTHR; + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java new file mode 100644 index 000000000..6e941a3ab --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -0,0 +1,61 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; +import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; + +import java.io.*; +import java.net.HttpURLConnection; +import java.net.URL; +import java.time.Duration; +import java.time.Instant; +import java.util.zip.GZIPInputStream; + +@RequiredArgsConstructor +public class OrthologsFileReader { + + String urlToDB; + String dataExtractedPath; + + public OrthologsFileReader(String urlPanther, String filePath) { + urlToDB = urlPanther; + dataExtractedPath = filePath; + } + + public static void decompressGzip(String url, String filePath) throws IOException { + URL gzipUrl = new URL(url); + HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); + int responseCode = connection.getResponseCode(); + Instant startTime = Instant.now(); + + if (responseCode == HttpURLConnection.HTTP_OK) { + System.out.println("Connected to URL"); + try (InputStream in = connection.getInputStream(); + GZIPInputStream gis = new GZIPInputStream(in); + TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { + System.out.println("Decompressing..."); + while (tis.getNextTarEntry() != null) { + File outputFile = new File(filePath); + try (FileOutputStream fos = new FileOutputStream(outputFile, false); + // the false make it write over existing data + BufferedOutputStream bos = new BufferedOutputStream(fos)) { + byte[] buffer = new byte[4096]; + int len; + while ((len = tis.read(buffer)) != -1) { + bos.write(buffer, 0, len); + } + } + } + System.out.println("File decompressed, data in " + filePath); + Instant endTime = Instant.now(); + System.out.println("Processing time:" + Duration.between(startTime, endTime)); + } + finally { + connection.disconnect(); + System.out.println("Disconnected from URL"); + } + } + else { + System.out.println("GZIP returned unexpected response: " + responseCode); + } + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java deleted file mode 100644 index cbf259450..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsGrouper.java +++ /dev/null @@ -1,147 +0,0 @@ -package uk.ac.ebi.intact.ortholog; - -import lombok.RequiredArgsConstructor; - -import java.io.*; -import java.net.HttpURLConnection; -import java.net.URL; -import java.time.Duration; -import java.time.Instant; -import java.util.*; -import java.util.regex.Matcher; -import java.util.regex.Pattern; -import java.util.zip.GZIPInputStream; -import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; - - -import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - -@RequiredArgsConstructor -public class OrthologsGrouper { - - private final UniprotProteinFetcher uniprotProteinFetcher; - - public static void main(String[] args) throws IOException, BridgeFailedException { - String filePath = "orthologsData.txt"; - String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; -// decompressGzip(urlPanther, filePath); -// parseFile(filePath); -// Map uniprotAndPanther = parseFile(filePath); -// uniprotToProtein(uniprotAndPanther); - - OrthologsGrouper orthologsGrouper = new OrthologsGrouper(new UniprotProteinFetcher()); - orthologsGrouper.getIntactProtein(); - } - - private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { - UniprotProteinFetcher proteinFetcher = new UniprotProteinFetcher(); - for (Map.Entry entry : uniprotAndPanther.entrySet()) { - System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); - } - } - - private static Map parseFile(String filePath) { - Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); - Pattern pantherRegex = Pattern.compile("PTHR\\d+"); - Map uniprotAndPTHR = new HashMap<>(); - Instant startTime = Instant.now(); - System.out.println("Parsing file..."); - - try ( - BufferedReader reader = new BufferedReader(new FileReader(filePath))) { - - String line; - while ((line = reader.readLine()) != null) { - ArrayList uniprotMatches = new ArrayList<>(); - - Matcher uniprotMatcher = uniprotKBRegex.matcher(line); - Matcher pantherMatcher = pantherRegex.matcher(line); - - while (uniprotMatcher.find()) { - uniprotMatches.add(uniprotMatcher.group(1)); - } - while (pantherMatcher.find()) { - uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); - } - - } - } catch (IOException e) { - throw new RuntimeException(e); - } - Instant endTime = Instant.now(); - System.out.println("File parsed"); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); - return uniprotAndPTHR; - } - - public static void decompressGzip(String url, String filePath) throws IOException { - URL gzipUrl = new URL(url); - HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); - int responseCode = connection.getResponseCode(); - Instant startTime = Instant.now(); - - if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL"); - try (InputStream in = connection.getInputStream(); - GZIPInputStream gis = new GZIPInputStream(in); - TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { - System.out.println("Decompressing..."); - while (tis.getNextTarEntry() != null) { - File outputFile = new File(filePath); - try (FileOutputStream fos = new FileOutputStream(outputFile, false); - // the false make it write over existing data - BufferedOutputStream bos = new BufferedOutputStream(fos)) { - byte[] buffer = new byte[4096]; - int len; - while ((len = tis.read(buffer)) != -1) { - bos.write(buffer, 0, len); - } - } - } - System.out.println("File decompressed, data in " + filePath); - Instant endTime = Instant.now(); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); - } - finally { - connection.disconnect(); - System.out.println("Disconnected from URL"); - } - } - else { - System.out.println("GZIP returned unexpected response: " + responseCode); - } - } - - - //code from UniplexComplexManager l.165 - -// private void addPantherXref(UniplexCluster uniplexCluster, IntactComplex complex) throws CvTermNotFoundException { -// for (String clusterId: uniplexCluster.getClusterIds()) { -// InteractorXref xref = newHumapXref(clusterId); -// complex.getIdentifiers().add(xref); -// } -// -// for (String uniprotId: protein.AC()) { -// PantherXref xref = newPantherXref(pantherID); -// protein.getIdentifiers.add(xref); -// } -// -// } -// -// private InteractorXref newPantherXref(String id) throws CvTermNotFoundException { -// IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, HUMAP_DATABASE_ID); -// // Currently we use identity as qualifier, as we are only importing exact matches. -// // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). -// IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); -// return new InteractorXref(database, id, qualifier); -// } - - - private IntactProtein getIntactProtein() throws BridgeFailedException { - String proteinID = "Q8K305"; - return (IntactProtein) uniprotProteinFetcher.fetchByIdentifier(proteinID); - } - -} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java new file mode 100644 index 000000000..59ce97991 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -0,0 +1,36 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.RequiredArgsConstructor; +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.fetcher.InteractorFetcher; +import psidev.psi.mi.jami.bridges.fetcher.ProteinFetcher; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import java.io.*; +import java.util.*; + +@RequiredArgsConstructor +public class OrthologsManager { + + UniprotProteinFetcher uniprotProteinFetcher; + + public OrthologsManager(UniprotProteinFetcher uniprotProteinFetcher) { + this.uniprotProteinFetcher = new UniprotProteinFetcher(); + } + + public static void main(String[] args) throws IOException, BridgeFailedException { + String filePath = "orthologsData.txt"; + String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; + + OrthologsManager orthologsManager = new OrthologsManager(); + +// OrthologsFileReader.decompressGzip(urlPanther,filePath); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + +// System.out.println(orthologsManager.uniprotProteinFetcher.fetchByIdentifier("P77650")); // return null + +// +// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new UniprotProteinFetcher()); +// orthologsProteinAssociation.getProtein(); + } +} + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java new file mode 100644 index 000000000..979b1ca00 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -0,0 +1,34 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.Getter; +import lombok.RequiredArgsConstructor; +import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import psidev.psi.mi.jami.model.Protein; + +import java.util.Collection; +import java.util.Map; + +@Getter +@RequiredArgsConstructor +public class OrthologsProteinAssociation { + + private final UniprotProteinFetcher uniprotProteinFetcher; + Collection proteins; + + public Collection getIntactProtein() throws BridgeFailedException { + String proteinID = "P77650"; + proteins = (Collection) uniprotProteinFetcher.fetchByIdentifier(proteinID); + return proteins; + } + + public void getProtein(){ + System.out.println(proteins.iterator().next()); + } + + private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { + for (Map.Entry entry : uniprotAndPanther.entrySet()) { + System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + } + } +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index dc07f61bc..ea1235cb8 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -170,7 +170,11 @@ - + + + + + diff --git a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java similarity index 79% rename from intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java rename to intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java index 0cea70f43..808a60629 100644 --- a/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsGrouperTest.java +++ b/intact-orthology-import/src/test/java/uk/ac/ebi/intact/dataexchange/OrthologsManagerTest.java @@ -7,7 +7,7 @@ /** * Unit test for simple App. */ -public class OrthologsGrouperTest +public class OrthologsManagerTest extends TestCase { /** @@ -15,7 +15,7 @@ public class OrthologsGrouperTest * * @param testName name of the test case */ - public OrthologsGrouperTest(String testName ) + public OrthologsManagerTest(String testName ) { super( testName ); } @@ -25,7 +25,7 @@ public OrthologsGrouperTest(String testName ) */ public static Test suite() { - return new TestSuite( OrthologsGrouperTest.class ); + return new TestSuite( OrthologsManagerTest.class ); } /** From 4619f19388091a35d2db15f0fd01973c8a0a82be Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 26 Jul 2024 17:57:37 +0100 Subject: [PATCH 22/62] Adding of the bash file for launching (still has some bugs to fix) --- intact-orthology-import/importOrtholgy.sh | 14 ++ intact-orthology-import/pom.xml | 145 ++++++++++++++---- .../intact/ortholog/OrthologsFileReader.java | 2 + .../ebi/intact/ortholog/OrthologsManager.java | 41 +++-- .../ortholog/OrthologsProteinAssociation.java | 57 +++++-- .../intact/ortholog/OrthologsXrefWriter.java | 57 +++++++ .../META-INF/orthology-import-spring.xml | 44 +++--- .../META-INF/orthology-import.properties | 4 - 8 files changed, 271 insertions(+), 93 deletions(-) create mode 100644 intact-orthology-import/importOrtholgy.sh create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh new file mode 100644 index 000000000..3cdf54ac9 --- /dev/null +++ b/intact-orthology-import/importOrtholgy.sh @@ -0,0 +1,14 @@ +#!/bin/bash + +#if [ $# -ne 2 ]; then +# echo "" +# echo "ERROR: wrong number of parameters ($#)." +# echo "" +# exit 1 +#fi + +PROFILE=$1; + +echo "Profile: $PROFILE" + +mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImportStep -Dmaven.test.skip diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 4875b29f7..35f68aae3 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,6 +1,7 @@ 4.0.0 + uk.ac.ebi.intact.dataexchange intact-dataexchange-master @@ -11,18 +12,20 @@ jar intact-orthology-import + UTF-8 3.6.0-SNAPSHOT 3.1.0-SNAPSHOT 4.3.30.RELEASE 1.3.4 + ${db.protocol}:${db.subprotocol}${db.separator}${db.alias} + none - - orthology-importer + import-orthology @@ -42,7 +45,39 @@ -Xmx2024m -classpath - psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher + uk.ac.ebi.complex.service.processor.OrthologsFileReader + uk.ac.ebi.complex.service.processor.OrthologsFileParser + + + + + + + + + fetch-protein-orthologs + + + + org.codehaus.mojo + exec-maven-plugin + + + install + + exec + + + + + java + + -Xmx2024m + -classpath + + psidev.psi.mi.jami.batch.MIBatchJobManager + classpath*:/META-INF/orthology-import-spring.xml + ${job.name} @@ -53,39 +88,14 @@ + - - - - - - - - - - - - - - - - - - - - - - - - - - + + + - - - uk.ac.ebi.intact.bridges intact-uniprot @@ -142,16 +152,87 @@ ${spring.version} + + org.springframework + spring-aop + ${spring.version} + + + org.springframework + spring-context + ${spring.version} + + org.apache.commons commons-compress 1.21 compile + org.projectlombok lombok 1.18.30 + + + + + + + + + + + + + + + + + org.hibernate + hibernate-core + 5.6.15.Final + + + + org.apache.httpcomponents + httpclient + 4.5.14 + + + + + com.google.inject + guice + 5.0.1 + + + + javax.ws.rs + javax.ws.rs-api + 2.1.1 + + + + ch.qos.logback + logback-classic + 1.1.11 + + + + uk.ac.ebi.intact.maven + intact-hibernate-master + 48-SNAPSHOT + + + + com.h2database + h2 + ${h2.version} + test + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 6e941a3ab..b58262f8b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -2,6 +2,7 @@ import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; +import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; import java.io.*; import java.net.HttpURLConnection; @@ -21,6 +22,7 @@ public OrthologsFileReader(String urlPanther, String filePath) { dataExtractedPath = filePath; } + public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 59ce97991..8141e9511 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -1,36 +1,45 @@ package uk.ac.ebi.intact.ortholog; import lombok.RequiredArgsConstructor; +import org.hibernate.jpa.boot.internal.EntityManagerFactoryBuilderImpl; +import org.springframework.beans.factory.annotation.Autowired; +import org.springframework.beans.factory.annotation.Qualifier; +import org.springframework.context.ApplicationContext; +import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.fetcher.InteractorFetcher; -import psidev.psi.mi.jami.bridges.fetcher.ProteinFetcher; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.dao.impl.IntactDaoImpl; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import javax.persistence.EntityManager; +import javax.persistence.EntityManagerFactory; import java.io.*; import java.util.*; + @RequiredArgsConstructor public class OrthologsManager { - UniprotProteinFetcher uniprotProteinFetcher; - - public OrthologsManager(UniprotProteinFetcher uniprotProteinFetcher) { - this.uniprotProteinFetcher = new UniprotProteinFetcher(); - } + private final IntactDao intactDao; public static void main(String[] args) throws IOException, BridgeFailedException { + ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); + // Retrieve beans and use them + OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); + OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); + OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); + + String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; - OrthologsManager orthologsManager = new OrthologsManager(); - -// OrthologsFileReader.decompressGzip(urlPanther,filePath); -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ -// System.out.println(orthologsManager.uniprotProteinFetcher.fetchByIdentifier("P77650")); // return null +// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new IntactDaoImpl()); +// List proteins = orthologsProteinAssociation.getIntactProtein(); + List prot = orthologsProteinAssociation.getIntactProtein(); -// -// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new UniprotProteinFetcher()); -// orthologsProteinAssociation.getProtein(); } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 979b1ca00..57f640583 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,33 +2,58 @@ import lombok.Getter; import lombok.RequiredArgsConstructor; +import lombok.Setter; +import org.springframework.beans.factory.annotation.Autowired; +import org.springframework.beans.factory.annotation.Qualifier; +import org.springframework.transaction.annotation.Propagation; +import org.springframework.transaction.annotation.Transactional; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; -import psidev.psi.mi.jami.model.Protein; -import java.util.Collection; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.synchronizer.listener.impl.DbSynchronizerStatisticsReporter; + +import java.util.HashMap; +import java.util.List; import java.util.Map; -@Getter -@RequiredArgsConstructor +import javax.persistence.EntityManager; + + public class OrthologsProteinAssociation { - private final UniprotProteinFetcher uniprotProteinFetcher; - Collection proteins; + @Setter + @Autowired + private EntityManager entityManager; + + private final IntactDao intactDao; + private DbSynchronizerStatisticsReporter synchronizerListener; + + public OrthologsProteinAssociation(IntactDao intactDao) { + this.intactDao = intactDao; +// this.intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - public Collection getIntactProtein() throws BridgeFailedException { - String proteinID = "P77650"; - proteins = (Collection) uniprotProteinFetcher.fetchByIdentifier(proteinID); - return proteins; } - public void getProtein(){ - System.out.println(proteins.iterator().next()); + + public List getIntactProtein(){ +// EntityManager manager = intactDao.getEntityManager(); +// intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); + + String proteinID = "P77650"; + + return intactDao.getProteinDao().getAll(); } - private static void uniprotToProtein(Map uniprotAndPanther) throws BridgeFailedException { - for (Map.Entry entry : uniprotAndPanther.entrySet()) { - System.out.println("Key: " + entry.getKey() + ", Value: " + entry.getValue()); + public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { + Map intactProteinAndPanther = new HashMap<>(); + for (IntactProtein intactProtein : intactProteins) { + for (Map.Entry entry : uniprotAndPanther.entrySet()){ + if (entry.getValue().equals(intactProtein.getAc())){ + intactProteinAndPanther.put(intactProtein, entry.getValue()); + } + } } + return intactProteinAndPanther; } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java new file mode 100644 index 000000000..bc8d8f383 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -0,0 +1,57 @@ +package uk.ac.ebi.intact.ortholog; + +import psidev.psi.mi.jami.model.Protein; +import psidev.psi.mi.jami.model.Xref; +import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.model.extension.InteractorXref; +import uk.ac.ebi.intact.jami.utils.IntactUtils; +//import uk.ac.ebi.complex.service.service.IntactComplexService; + +import java.util.*; +import java.util.Map; + + +public class OrthologsXrefWriter { + + private final static String PANTHER_DATABASE_ID = "test"; + private final Map cvTermMap = new HashMap<>(); + +// private final IntactComplexService intactComplexService; + + public void iterateThroughProteins(){ + + } + + public void addOrthologyXref(Map proteinAndPanther){ + IntactProtein protein = (IntactProtein) proteinAndPanther.keySet(); + String pantherId = proteinAndPanther.get(protein); + InteractorXref xref = newOrthologsXref(pantherId); + if (!protein.getXrefs().contains(xref)){ + protein.getXrefs().add(xref); + } + } + + private InteractorXref newOrthologsXref(String id){ + IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); + // Currently we use identity as qualifier, as we are only importing exact matches. + // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). + IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); + return new InteractorXref(database, id, qualifier); + } + + private IntactCvTerm findCvTerm(String clazz, String id){ + String key = clazz + "_" + id; + if (cvTermMap.containsKey(key)) { + return cvTermMap.get(key); + } + IntactCvTerm cvTerm = new IntactCvTerm(); +// IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); +// if (cvTerm != null) { +// cvTermMap.put(key, cvTerm); +// return cvTerm; +// } +// throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); + return cvTerm; + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index ea1235cb8..f5f17dc38 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -20,6 +20,7 @@ + @@ -39,9 +40,9 @@ - + - - + + + + - - + - - + - + + + + - + - + @@ -201,27 +202,20 @@ - - - + + - + - - - - - - - + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index c301e9924..9028939d1 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,7 +1,3 @@ -retry.maxAttempts=5 -retry.multiplier=2 -retry.maxDelay=5000 - jami.user.context.id=ORTHOLOG_IMPORTER orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file From 02cd0c4847cac1bd794fff45d21e5ad94b66370e Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 29 Jul 2024 16:35:55 +0100 Subject: [PATCH 23/62] Running under JDK 11; Access to the database not ok yet --- intact-orthology-import/pom.xml | 228 +++++++++--------- .../intact/ortholog/OrthologsFileReader.java | 4 +- .../ebi/intact/ortholog/OrthologsManager.java | 20 +- .../ortholog/OrthologsProteinAssociation.java | 33 +-- .../intact/ortholog/OrthologsXrefWriter.java | 1 + .../META-INF/orthology-import-spring.xml | 73 +++--- 6 files changed, 163 insertions(+), 196 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 35f68aae3..1a35a2c78 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,5 +1,7 @@ + + 4.0.0 @@ -9,16 +11,11 @@ intact-orthology-import - jar + intact-orthology-import - UTF-8 - 3.6.0-SNAPSHOT - 3.1.0-SNAPSHOT - 4.3.30.RELEASE - 1.3.4 ${db.protocol}:${db.subprotocol}${db.separator}${db.alias} none @@ -45,36 +42,10 @@ -Xmx2024m -classpath - uk.ac.ebi.complex.service.processor.OrthologsFileReader - uk.ac.ebi.complex.service.processor.OrthologsFileParser - - - - - - - - - fetch-protein-orthologs - - - - org.codehaus.mojo - exec-maven-plugin - - - install - - exec - - - - - java - - -Xmx2024m - -classpath - + uk.ac.ebi.intact.ortholog.OrthologsManager + uk.ac.ebi.intact.ortholog.OrthologsFileReader + uk.ac.ebi.intact.ortholog.OrthologsFileParser + uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation psidev.psi.mi.jami.batch.MIBatchJobManager classpath*:/META-INF/orthology-import-spring.xml ${job.name} @@ -84,32 +55,46 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - - - uk.ac.ebi.intact.bridges - intact-uniprot - ${bridges.version} - - - - net.sf.ehcache - ehcache - - - - psidev.psi.mi.jami jami-core @@ -143,7 +128,7 @@ org.springframework.retry spring-retry - ${spring.retry.version} + 1.3.4 @@ -153,16 +138,13 @@ - org.springframework - spring-aop - ${spring.version} - - - org.springframework - spring-context - ${spring.version} + org.projectlombok + lombok + 1.18.30 + + org.apache.commons commons-compress @@ -170,69 +152,89 @@ compile - - org.projectlombok - lombok - 1.18.30 - + + + + + + + + + + + + + + + - - + + + - - - - + + + - - - org.hibernate - hibernate-core - 5.6.15.Final - - - org.apache.httpcomponents - httpclient - 4.5.14 - - - com.google.inject - guice - 5.0.1 - - - javax.ws.rs - javax.ws.rs-api - 2.1.1 - - - ch.qos.logback - logback-classic - 1.1.11 - + + + + + - - uk.ac.ebi.intact.maven - intact-hibernate-master - 48-SNAPSHOT - + + + + + - - com.h2database - h2 - ${h2.version} - test - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index b58262f8b..b41581c22 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -2,8 +2,6 @@ import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; -import psidev.psi.mi.jami.bridges.uniprot.UniprotProteinFetcher; - import java.io.*; import java.net.HttpURLConnection; import java.net.URL; @@ -12,7 +10,7 @@ import java.util.zip.GZIPInputStream; @RequiredArgsConstructor -public class OrthologsFileReader { +public class OrthologsFileReader{ String urlToDB; String dataExtractedPath; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 8141e9511..5e764bf55 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -1,45 +1,35 @@ package uk.ac.ebi.intact.ortholog; import lombok.RequiredArgsConstructor; -import org.hibernate.jpa.boot.internal.EntityManagerFactoryBuilderImpl; -import org.springframework.beans.factory.annotation.Autowired; -import org.springframework.beans.factory.annotation.Qualifier; import org.springframework.context.ApplicationContext; import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; import uk.ac.ebi.intact.jami.dao.IntactDao; -import uk.ac.ebi.intact.jami.dao.impl.IntactDaoImpl; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - -import javax.persistence.EntityManager; -import javax.persistence.EntityManagerFactory; -import java.io.*; import java.util.*; - +import java.io.IOException; @RequiredArgsConstructor public class OrthologsManager { private final IntactDao intactDao; + private final OrthologsProteinAssociation orthologsProteinAssociation; public static void main(String[] args) throws IOException, BridgeFailedException { ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); - // Retrieve beans and use them + OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); - String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; // OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ -// OrthologsProteinAssociation orthologsProteinAssociation = new OrthologsProteinAssociation(new IntactDaoImpl()); -// List proteins = orthologsProteinAssociation.getIntactProtein(); - List prot = orthologsProteinAssociation.getIntactProtein(); - + Collection proteins = orthologsProteinAssociation.getIntactProtein(); + System.out.println(proteins); } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 57f640583..b96c40ed0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -1,48 +1,25 @@ package uk.ac.ebi.intact.ortholog; -import lombok.Getter; -import lombok.RequiredArgsConstructor; -import lombok.Setter; -import org.springframework.beans.factory.annotation.Autowired; -import org.springframework.beans.factory.annotation.Qualifier; -import org.springframework.transaction.annotation.Propagation; -import org.springframework.transaction.annotation.Transactional; -import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; - import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.jami.synchronizer.listener.impl.DbSynchronizerStatisticsReporter; - +import java.util.Collection; import java.util.HashMap; import java.util.List; import java.util.Map; -import javax.persistence.EntityManager; - - public class OrthologsProteinAssociation { - @Setter - @Autowired - private EntityManager entityManager; - private final IntactDao intactDao; - private DbSynchronizerStatisticsReporter synchronizerListener; public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; -// this.intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - } - - public List getIntactProtein(){ -// EntityManager manager = intactDao.getEntityManager(); -// intactDao.getSynchronizerContext().initialiseDbSynchronizerListener(synchronizerListener); - + public Collection getIntactProtein(){ String proteinID = "P77650"; - - return intactDao.getProteinDao().getAll(); +// Collection proteins = intactDao.getProteinDao().getAll(); +// return intactDao.getProteinDao().getAll(); + return (Collection) intactDao.getProteinDao().getByAc(proteinID); } public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index bc8d8f383..5dd3483e4 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,5 +1,6 @@ package uk.ac.ebi.intact.ortholog; +import org.springframework.batch.item.ItemWriter; import psidev.psi.mi.jami.model.Protein; import psidev.psi.mi.jami.model.Xref; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index f5f17dc38..d327edd5b 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -28,10 +28,8 @@ + p:dataSource-ref="jamiCoreDataSource" p:transactionManager-ref="jamiTransactionManager" /> - + + @@ -181,41 +180,41 @@ - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + From c542433e1499b2560ef2e094b57faf2fdf87ffaf Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 30 Jul 2024 16:57:36 +0100 Subject: [PATCH 24/62] Fetching of all intact proteins OK Association of protein objects with panther ID in progress Starting to work on adding of Xrefs to the proteins --- intact-orthology-import/pom.xml | 8 ++-- .../intact/ortholog/OrthologsFileParser.java | 1 - .../intact/ortholog/OrthologsFileReader.java | 4 +- .../ebi/intact/ortholog/OrthologsManager.java | 46 +++++++++++++++---- .../ortholog/OrthologsProteinAssociation.java | 34 ++++++++------ .../intact/ortholog/OrthologsXrefWriter.java | 33 ++++++------- .../META-INF/orthology-import-spring.xml | 15 +++--- .../META-INF/orthology-import.properties | 4 +- 8 files changed, 87 insertions(+), 58 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 1a35a2c78..c7c852661 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -1,5 +1,6 @@ - 4.0.0 @@ -40,6 +41,7 @@ java -Xmx2024m + -Xms256m -classpath uk.ac.ebi.intact.ortholog.OrthologsManager @@ -152,6 +154,7 @@ compile + @@ -183,9 +186,6 @@ - - - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b0ff82692..7ffba2194 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -42,7 +42,6 @@ public static Map parseFile(String filePath) { while (pantherMatcher.find()) { uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); } - } } catch (IOException e) { throw new RuntimeException(e); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index b41581c22..7d979966f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -28,7 +28,7 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio Instant startTime = Instant.now(); if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL"); + System.out.println("Connected to URL."); try (InputStream in = connection.getInputStream(); GZIPInputStream gis = new GZIPInputStream(in); TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { @@ -51,7 +51,7 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio } finally { connection.disconnect(); - System.out.println("Disconnected from URL"); + System.out.println("Disconnected from URL."); } } else { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 5e764bf55..3e502af86 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -4,32 +4,62 @@ import org.springframework.context.ApplicationContext; import org.springframework.context.support.ClassPathXmlApplicationContext; import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import java.io.BufferedWriter; +import java.io.FileWriter; import java.util.*; import java.io.IOException; + @RequiredArgsConstructor public class OrthologsManager { - private final IntactDao intactDao; - private final OrthologsProteinAssociation orthologsProteinAssociation; - public static void main(String[] args) throws IOException, BridgeFailedException { ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); + OrthologsXrefWriter orthologsXrefWriter = context.getBean("orthologsXrefWriter", OrthologsXrefWriter.class); + String reportFile = "orthologsReport.txt"; String filePath = "orthologsData.txt"; String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; -// OrthologsFileReader.decompressGzip(urlPanther,filePath); // working ✅ -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // working ✅ + String report = ""; + + OrthologsFileReader.decompressGzip(urlPanther,filePath);// working + + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working + System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); + report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; + + + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + System.out.println("Total number of Intact proteins: " + proteins.size()); + report += "Total number of Intact proteins: " + proteins.size() + "\n"; + + Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherIndex(uniprotAndPanther, proteins); + System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); + report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; +// +// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); +// report += "Number of xref added" + "\n"; + + reportWriter(reportFile, report); + } - Collection proteins = orthologsProteinAssociation.getIntactProtein(); - System.out.println(proteins); + public static void reportWriter(String reportFile, String toWrite){ + try { + FileWriter fileWriter = new FileWriter(reportFile); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); + bufferedWriter.write(toWrite); + bufferedWriter.close(); + } + catch (Exception e) { + e.getStackTrace(); + } } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index b96c40ed0..fb26c5614 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,13 +2,14 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import java.util.Collection; -import java.util.HashMap; -import java.util.List; -import java.util.Map; +import javax.annotation.Resource; +import java.util.*; + + public class OrthologsProteinAssociation { + @Resource(name="intactDao") private final IntactDao intactDao; public OrthologsProteinAssociation(IntactDao intactDao) { @@ -16,21 +17,28 @@ public OrthologsProteinAssociation(IntactDao intactDao) { } public Collection getIntactProtein(){ - String proteinID = "P77650"; -// Collection proteins = intactDao.getProteinDao().getAll(); -// return intactDao.getProteinDao().getAll(); - return (Collection) intactDao.getProteinDao().getByAc(proteinID); + + //TODO: see if it is possible to fetch by UniprotKB to not have to fetch the whole db everytime + + System.out.println("Fetching Intact Proteins..."); + return intactDao.getProteinDao().getAll(); } - public Map associateProteinToPantherIndex(Map uniprotAndPanther, List intactProteins) { + public Map associateProteinToPantherIndex(Map uniprotIdAndPanther, Collection intactProteins) { + System.out.println("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - for (IntactProtein intactProtein : intactProteins) { - for (Map.Entry entry : uniprotAndPanther.entrySet()){ - if (entry.getValue().equals(intactProtein.getAc())){ - intactProteinAndPanther.put(intactProtein, entry.getValue()); + for (Map.Entry entry : uniprotIdAndPanther.entrySet()){ + System.out.println("PANTHER " + entry.getKey() + ": " + entry.getValue()); + for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ + //TODO see why the uniprotKB cannot be used + System.out.println(iterator.next().getUniprotkb()); + if (entry.getValue().equals(iterator.next().getUniprotkb())){ + intactProteinAndPanther.put(iterator.next(), entry.getValue()); + System.out.println(iterator.next() + " -> " + entry.getValue()); } } } + System.out.println("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 5dd3483e4..c068263bc 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,32 +1,27 @@ package uk.ac.ebi.intact.ortholog; -import org.springframework.batch.item.ItemWriter; -import psidev.psi.mi.jami.model.Protein; import psidev.psi.mi.jami.model.Xref; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; import uk.ac.ebi.intact.jami.utils.IntactUtils; -//import uk.ac.ebi.complex.service.service.IntactComplexService; - import java.util.*; import java.util.Map; - public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "test"; + private final static String PANTHER_DATABASE_ID = "pantherDbId"; private final Map cvTermMap = new HashMap<>(); -// private final IntactComplexService intactComplexService; - - public void iterateThroughProteins(){ - + public void iterateThroughProteins(Map intactProteinAndPanther){ + for (Map.Entry entry : intactProteinAndPanther.entrySet()){ + IntactProtein protein = entry.getKey(); + String pantherId = entry.getValue(); + addOrthologyXref(protein, pantherId); + } } - public void addOrthologyXref(Map proteinAndPanther){ - IntactProtein protein = (IntactProtein) proteinAndPanther.keySet(); - String pantherId = proteinAndPanther.get(protein); + public void addOrthologyXref(IntactProtein protein, String pantherId){ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); @@ -35,23 +30,21 @@ public void addOrthologyXref(Map proteinAndPanther){ private InteractorXref newOrthologsXref(String id){ IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); - // Currently we use identity as qualifier, as we are only importing exact matches. - // If we merge curated complexes with partial matches, we need to add a different qualifier (subset, see-also, etc.). IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); return new InteractorXref(database, id, qualifier); } - private IntactCvTerm findCvTerm(String clazz, String id){ + private IntactCvTerm findCvTerm(String clazz, String id) { String key = clazz + "_" + id; if (cvTermMap.containsKey(key)) { return cvTermMap.get(key); } IntactCvTerm cvTerm = new IntactCvTerm(); // IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); -// if (cvTerm != null) { -// cvTermMap.put(key, cvTerm); -// return cvTerm; -// } + if (cvTerm != null) { + cvTermMap.put(key, cvTerm); + return cvTerm; + } // throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); return cvTerm; } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index d327edd5b..866ac5663 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -162,28 +162,25 @@ - - - - - + + + - - - - + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 9028939d1..3d6f9d39a 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,3 +1,5 @@ jami.user.context.id=ORTHOLOG_IMPORTER -orthologsFilePath = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz" \ No newline at end of file +reportFile = "orthologsReport.txt"; +filePath = "orthologsData.txt"; +urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; From ae8d5d62f79cd949fd9764624d8e7342b3a7c357 Mon Sep 17 00:00:00 2001 From: Susie Date: Wed, 31 Jul 2024 16:58:38 +0100 Subject: [PATCH 25/62] Creation of a map containing IntactProtein and pantherID ok --- .../ebi/intact/ortholog/OrthologsManager.java | 16 +++--- .../ortholog/OrthologsProteinAssociation.java | 56 +++++++++++-------- 2 files changed, 41 insertions(+), 31 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 3e502af86..4310c5b3d 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -29,20 +29,20 @@ public static void main(String[] args) throws IOException, BridgeFailedException String report = ""; - OrthologsFileReader.decompressGzip(urlPanther,filePath);// working - +// OrthologsFileReader.decompressGzip(urlPanther,filePath);// working +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; +// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// System.out.println("Total number of Intact proteins: " + proteins.size()); +// report += "Total number of Intact proteins: " + proteins.size() + "\n"; +// Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther, proteins); - Collection proteins = orthologsProteinAssociation.getIntactProtein();// working - System.out.println("Total number of Intact proteins: " + proteins.size()); - report += "Total number of Intact proteins: " + proteins.size() + "\n"; - - Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherIndex(uniprotAndPanther, proteins); + Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); - report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; + report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // // orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); // report += "Number of xref added" + "\n"; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index fb26c5614..268253135 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -5,8 +5,6 @@ import javax.annotation.Resource; import java.util.*; - - public class OrthologsProteinAssociation { @Resource(name="intactDao") @@ -16,29 +14,41 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } - public Collection getIntactProtein(){ - - //TODO: see if it is possible to fetch by UniprotKB to not have to fetch the whole db everytime - - System.out.println("Fetching Intact Proteins..."); - return intactDao.getProteinDao().getAll(); - } - - public Map associateProteinToPantherIndex(Map uniprotIdAndPanther, Collection intactProteins) { - System.out.println("Associating Intact proteins to Panther identifier..."); - Map intactProteinAndPanther = new HashMap<>(); - for (Map.Entry entry : uniprotIdAndPanther.entrySet()){ - System.out.println("PANTHER " + entry.getKey() + ": " + entry.getValue()); - for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ - //TODO see why the uniprotKB cannot be used - System.out.println(iterator.next().getUniprotkb()); - if (entry.getValue().equals(iterator.next().getUniprotkb())){ - intactProteinAndPanther.put(iterator.next(), entry.getValue()); - System.out.println(iterator.next() + " -> " + entry.getValue()); - } + public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { + Map, String> intactProteinAndPanther = new HashMap<>(); + for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { + Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); + if (!intactProtein.isEmpty()) { + intactProteinAndPanther.put(intactProtein, entry.getValue()); } } - System.out.println("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } + +// public Collection getIntactProtein(){ +// System.out.println("Fetching Intact Proteins..."); +// return intactDao.getProteinDao().getAll(); +// } + +// public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { +// System.out.println("Associating Intact proteins to Panther identifier..."); +// Map intactProteinAndPanther = new HashMap<>(); +// for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ +// System.out.println(iterator.next().getUniprotkb()); +// System.out.println(iterator.next().getIdentifiers()); +// System.out.println(uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ +// intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); +// } +// +// System.out.println(iterator.next().getUniprotkb()); +// if (entry.getValue().equals(iterator.next().getUniprotkb())){ +// intactProteinAndPanther.put(iterator.next(), entry.getValue()); +// System.out.println(iterator.next() + " -> " + entry.getValue()); +// } +// } +// System.out.println("Intact proteins associated to Panther identifier."); +// return intactProteinAndPanther; +// } } From 1401f2cf617fa28d80fb558cf543e9fb2439c447 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 1 Aug 2024 18:22:35 +0100 Subject: [PATCH 26/62] Association of proteins and pantherID ok --- .../ebi/intact/ortholog/OrthologsManager.java | 12 ++-- .../ortholog/OrthologsProteinAssociation.java | 60 ++++++++----------- .../META-INF/orthology-import-spring.xml | 4 +- 3 files changed, 35 insertions(+), 41 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 4310c5b3d..8f70f9248 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -30,17 +30,17 @@ public static void main(String[] args) throws IOException, BridgeFailedException String report = ""; // OrthologsFileReader.decompressGzip(urlPanther,filePath);// working -// + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; -// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working -// System.out.println("Total number of Intact proteins: " + proteins.size()); -// report += "Total number of Intact proteins: " + proteins.size() + "\n"; -// Map proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther, proteins); + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + System.out.println("Total number of Intact proteins: " + proteins.size()); + report += "Total number of Intact proteins: " + proteins.size() + "\n"; - Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); + Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); +// Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 268253135..74b6df71a 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -14,41 +14,33 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } - public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { - Map, String> intactProteinAndPanther = new HashMap<>(); - for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { - Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); - if (!intactProtein.isEmpty()) { - intactProteinAndPanther.put(intactProtein, entry.getValue()); - } - } - return intactProteinAndPanther; - } - -// public Collection getIntactProtein(){ -// System.out.println("Fetching Intact Proteins..."); -// return intactDao.getProteinDao().getAll(); -// } - -// public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { -// System.out.println("Associating Intact proteins to Panther identifier..."); -// Map intactProteinAndPanther = new HashMap<>(); -// for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ -// System.out.println(iterator.next().getUniprotkb()); -// System.out.println(iterator.next().getIdentifiers()); -// System.out.println(uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ -// intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); -// } -// -// System.out.println(iterator.next().getUniprotkb()); -// if (entry.getValue().equals(iterator.next().getUniprotkb())){ -// intactProteinAndPanther.put(iterator.next(), entry.getValue()); -// System.out.println(iterator.next() + " -> " + entry.getValue()); -// } +// public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { +// Map, String> intactProteinAndPanther = new HashMap<>(); +// for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { +// Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); +// if (!intactProtein.isEmpty()) { +// intactProteinAndPanther.put(intactProtein, entry.getValue()); // } -// System.out.println("Intact proteins associated to Panther identifier."); +// } // return intactProteinAndPanther; // } + + public Collection getIntactProtein(){ + System.out.println("Fetching Intact Proteins..."); + return intactDao.getProteinDao().getAll(); + } + + public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { + System.out.println("Associating Intact proteins to Panther identifier..."); + Map intactProteinAndPanther = new HashMap<>(); + for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ + System.out.println(iterator.next().getUniprotkb()); + if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ + intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); + System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); + } + } + System.out.println("Intact proteins associated to Panther identifier."); + return intactProteinAndPanther; + } } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 866ac5663..8c0a84fee 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -121,6 +121,7 @@ + true true false ${db.hbm2ddl} @@ -182,7 +183,8 @@ - + + From 84cab05d785549b7d0deec2bc0ca8c58ebe07dbc Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 2 Aug 2024 16:45:19 +0100 Subject: [PATCH 27/62] Adding of panther xref to intact protein OK; (TO SEE for the panther db id) --- .../intact/ortholog/OrthologsFileParser.java | 1 - .../ebi/intact/ortholog/OrthologsManager.java | 9 ++- .../ortholog/OrthologsProteinAssociation.java | 56 ++++++++++++------- .../intact/ortholog/OrthologsXrefWriter.java | 1 + 4 files changed, 40 insertions(+), 27 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 7ffba2194..b81b67c7b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -18,7 +18,6 @@ public class OrthologsFileParser { String filePath; - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 8f70f9248..a40c60442 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -35,17 +35,16 @@ public static void main(String[] args) throws IOException, BridgeFailedException System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; - Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working + Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); System.out.println("Total number of Intact proteins: " + proteins.size()); report += "Total number of Intact proteins: " + proteins.size() + "\n"; Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); -// Map, String> proteinAndPanther = orthologsProteinAssociation.associateProteinToPantherId(uniprotAndPanther); System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; -// -// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); -// report += "Number of xref added" + "\n"; + + orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); reportWriter(reportFile, report); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 74b6df71a..1821836a8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -2,11 +2,15 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + import javax.annotation.Resource; import java.util.*; +import java.util.logging.Logger; public class OrthologsProteinAssociation { + private static final Logger logger = Logger.getLogger(OrthologsProteinAssociation.class.getName()); + @Resource(name="intactDao") private final IntactDao intactDao; @@ -14,33 +18,43 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } -// public Map, String> associateProteinToPantherId(Map uniprotIdAndPanther) { -// Map, String> intactProteinAndPanther = new HashMap<>(); -// for (Map.Entry entry : uniprotIdAndPanther.entrySet()) { -// Collection intactProtein = this.intactDao.getProteinDao().getByXref(entry.getKey()); -// if (!intactProtein.isEmpty()) { -// intactProteinAndPanther.put(intactProtein, entry.getValue()); -// } -// } -// return intactProteinAndPanther; -// } - public Collection getIntactProtein(){ - System.out.println("Fetching Intact Proteins..."); + logger.info("Fetching all Intact Proteins..."); return intactDao.getProteinDao().getAll(); } + public Collection flattenProteinCollection(Collection> nestedProteins) { + List flatProteins = new ArrayList<>(); + for (Collection proteinCollection : nestedProteins) { + flatProteins.addAll(proteinCollection); + } + return flatProteins; + } + + public Collection getFewIntactProtein() { + logger.info("Fetching few Intact Proteins..."); + List> fewIntactProteins = new ArrayList<>(); + List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); + + var proteinDao = intactDao.getProteinDao(); + for (String proteinToFetch : proteinsToFetch) { + fewIntactProteins.add(proteinDao.getByXref(proteinToFetch)); + } + return flattenProteinCollection(fewIntactProteins); + } + public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { - System.out.println("Associating Intact proteins to Panther identifier..."); + logger.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - for (Iterator iterator = intactProteins.iterator(); iterator.hasNext();){ - System.out.println(iterator.next().getUniprotkb()); - if (uniprotIdAndPanther.get(iterator.next().getUniprotkb()) != null){ - intactProteinAndPanther.put(iterator.next(),uniprotIdAndPanther.get(iterator.next().getUniprotkb())); - System.out.println(iterator.next() + " -> " + uniprotIdAndPanther.get(iterator.next().getUniprotkb())); - } + + for (IntactProtein protein : intactProteins) { + String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + System.out.println(protein.getUniprotkb() + " -> " + pantherId); } - System.out.println("Intact proteins associated to Panther identifier."); + } + logger.info("Intact proteins associated to Panther identifier."); return intactProteinAndPanther; } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index c068263bc..24a81c68f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -18,6 +18,7 @@ public void iterateThroughProteins(Map intactProteinAndPa IntactProtein protein = entry.getKey(); String pantherId = entry.getValue(); addOrthologyXref(protein, pantherId); + System.out.println(protein.getXrefs()); } } From 91c014feb79aea0a314743d935fcf5a53c42f95c Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 13:22:32 +0100 Subject: [PATCH 28/62] Adaptation of the code to use batches; Cleaning and correcting some minor issues; --- intact-orthology-import/importOrtholgy.sh | 2 +- intact-orthology-import/pom.xml | 125 +----------------- .../intact/ortholog/OrthologsFileParser.java | 7 +- .../intact/ortholog/OrthologsFileReader.java | 26 +--- .../ebi/intact/ortholog/OrthologsManager.java | 4 +- .../ortholog/OrthologsProteinAssociation.java | 14 +- .../intact/ortholog/OrthologsXrefWriter.java | 34 +++-- .../ortholog/jobs/OrthologsItemProcessor.java | 40 ++++++ .../ortholog/jobs/OrthologsItemReader.java | 52 ++++++++ .../ortholog/jobs/OrthologsReaderTasklet.java | 21 +++ .../jobs/ProteinCollectionWriter.java | 37 ++++++ .../META-INF/orthology-import-spring.xml | 101 +++++++++----- .../META-INF/orthology-import.properties | 8 +- orthologsReport.txt | 0 14 files changed, 253 insertions(+), 218 deletions(-) mode change 100644 => 100755 intact-orthology-import/importOrtholgy.sh create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java create mode 100644 orthologsReport.txt diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh old mode 100644 new mode 100755 index 3cdf54ac9..21cc5aee0 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -11,4 +11,4 @@ PROFILE=$1; echo "Profile: $PROFILE" -mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImportStep -Dmaven.test.skip +mvn clean -U install -P import-orthology,${PROFILE} -Djob.name=orthologyImport -Dmaven.test.skip \ No newline at end of file diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index c7c852661..d2e135528 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -8,11 +8,11 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 3.3.2-SNAPSHOT + 4.0.2-SNAPSHOT intact-orthology-import - + jar intact-orthology-import @@ -44,10 +44,6 @@ -Xms256m -classpath - uk.ac.ebi.intact.ortholog.OrthologsManager - uk.ac.ebi.intact.ortholog.OrthologsFileReader - uk.ac.ebi.intact.ortholog.OrthologsFileParser - uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation psidev.psi.mi.jami.batch.MIBatchJobManager classpath*:/META-INF/orthology-import-spring.xml ${job.name} @@ -57,44 +53,11 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + @@ -154,87 +117,5 @@ compile - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b81b67c7b..01cc3ecbc 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,7 +1,5 @@ package uk.ac.ebi.intact.ortholog; -import lombok.RequiredArgsConstructor; - import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; @@ -13,11 +11,8 @@ import java.util.regex.Matcher; import java.util.regex.Pattern; -@RequiredArgsConstructor public class OrthologsFileParser { - String filePath; - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); @@ -50,4 +45,4 @@ public static Map parseFile(String filePath) { System.out.println("Processing time:" + Duration.between(startTime, endTime)); return uniprotAndPTHR; } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 7d979966f..39ea64e1e 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -1,7 +1,8 @@ package uk.ac.ebi.intact.ortholog; -import lombok.RequiredArgsConstructor; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; +import org.apache.commons.io.IOUtils; + import java.io.*; import java.net.HttpURLConnection; import java.net.URL; @@ -9,18 +10,8 @@ import java.time.Instant; import java.util.zip.GZIPInputStream; -@RequiredArgsConstructor public class OrthologsFileReader{ - String urlToDB; - String dataExtractedPath; - - public OrthologsFileReader(String urlPanther, String filePath) { - urlToDB = urlPanther; - dataExtractedPath = filePath; - } - - public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); @@ -35,14 +26,9 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio System.out.println("Decompressing..."); while (tis.getNextTarEntry() != null) { File outputFile = new File(filePath); - try (FileOutputStream fos = new FileOutputStream(outputFile, false); - // the false make it write over existing data - BufferedOutputStream bos = new BufferedOutputStream(fos)) { - byte[] buffer = new byte[4096]; - int len; - while ((len = tis.read(buffer)) != -1) { - bos.write(buffer, 0, len); - } + try (FileOutputStream fos = new FileOutputStream(outputFile, false)) { + // the false make it write over existing data + IOUtils.copy(tis, fos); } } System.out.println("File decompressed, data in " + filePath); @@ -58,4 +44,4 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio System.out.println("GZIP returned unexpected response: " + responseCode); } } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index a40c60442..2a19e7fa8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -11,6 +11,7 @@ import java.util.*; import java.io.IOException; +// This class is just for testing @RequiredArgsConstructor public class OrthologsManager { @@ -44,7 +45,7 @@ public static void main(String[] args) throws IOException, BridgeFailedException System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; - orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); +// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); reportWriter(reportFile, report); } @@ -61,4 +62,3 @@ public static void reportWriter(String reportFile, String toWrite){ } } } - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 1821836a8..7bbc8beba 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -23,24 +23,18 @@ public Collection getIntactProtein(){ return intactDao.getProteinDao().getAll(); } - public Collection flattenProteinCollection(Collection> nestedProteins) { - List flatProteins = new ArrayList<>(); - for (Collection proteinCollection : nestedProteins) { - flatProteins.addAll(proteinCollection); - } - return flatProteins; - } + // Method below are just for testing public Collection getFewIntactProtein() { logger.info("Fetching few Intact Proteins..."); - List> fewIntactProteins = new ArrayList<>(); + List fewIntactProteins = new ArrayList<>(); List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); var proteinDao = intactDao.getProteinDao(); for (String proteinToFetch : proteinsToFetch) { - fewIntactProteins.add(proteinDao.getByXref(proteinToFetch)); + fewIntactProteins.addAll(proteinDao.getByXref(proteinToFetch)); } - return flattenProteinCollection(fewIntactProteins); + return fewIntactProteins; } public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 24a81c68f..c62029b24 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,52 +1,50 @@ package uk.ac.ebi.intact.ortholog; +import lombok.RequiredArgsConstructor; import psidev.psi.mi.jami.model.Xref; +import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; +import uk.ac.ebi.intact.jami.service.InteractorService; import uk.ac.ebi.intact.jami.utils.IntactUtils; import java.util.*; import java.util.Map; +@RequiredArgsConstructor public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "pantherDbId"; + private final static String PANTHER_DATABASE_ID = "EBI-968064"; + private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); + private final IntactDao intactDao; + private final InteractorService interactorService; - public void iterateThroughProteins(Map intactProteinAndPanther){ - for (Map.Entry entry : intactProteinAndPanther.entrySet()){ - IntactProtein protein = entry.getKey(); - String pantherId = entry.getValue(); - addOrthologyXref(protein, pantherId); - System.out.println(protein.getXrefs()); - } - } - public void addOrthologyXref(IntactProtein protein, String pantherId){ + public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); } + this.interactorService.saveOrUpdate(protein); } - private InteractorXref newOrthologsXref(String id){ - IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_ID); - IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.IDENTITY_MI); + private InteractorXref newOrthologsXref(String id) throws Exception{ + IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_MI); + IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.SEE_ALSO_MI); return new InteractorXref(database, id, qualifier); } - private IntactCvTerm findCvTerm(String clazz, String id) { + private IntactCvTerm findCvTerm(String clazz, String id) throws Exception { String key = clazz + "_" + id; if (cvTermMap.containsKey(key)) { return cvTermMap.get(key); } - IntactCvTerm cvTerm = new IntactCvTerm(); -// IntactCvTerm cvTerm = intactComplexService.getCvTerm(clazz, id); + IntactCvTerm cvTerm = intactDao.getCvTermDao().getByMIIdentifier(id,clazz); if (cvTerm != null) { cvTermMap.put(key, cvTerm); return cvTerm; } -// throw new CvTermNotFoundException("CV Term not found with class '" + clazz + "' and id '" + id + "'"); - return cvTerm; + throw new Exception("CV Term not found with class '" + clazz + "' and id '" + id + "'"); } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java new file mode 100644 index 000000000..a24c51859 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java @@ -0,0 +1,40 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemProcessor; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; + +import java.util.Map; + +@RequiredArgsConstructor +public class OrthologsItemProcessor implements ItemProcessor, IntactProtein>, ItemStream { + + private final OrthologsXrefWriter orthologsXrefWriter; + + @Override + public IntactProtein process(Map.Entry item) throws Exception { + IntactProtein protein = item.getKey(); + String pantherId = item.getValue(); + orthologsXrefWriter.addOrthologyXref(protein, pantherId); + return protein; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java new file mode 100644 index 000000000..08531972d --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -0,0 +1,52 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemReader; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.NonTransientResourceException; +import org.springframework.batch.item.ParseException; +import org.springframework.batch.item.UnexpectedInputException; +import uk.ac.ebi.intact.jami.dao.IntactDao; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; + +import java.util.Collection; +import java.util.Iterator; +import java.util.Map; + +@RequiredArgsConstructor +public class OrthologsItemReader implements ItemReader>, ItemStream { + + private final IntactDao intactDao; + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + + private Iterator> uniprotAndPantherIterator; + + @Override + public Map.Entry read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + return uniprotAndPantherIterator.hasNext() ? uniprotAndPantherIterator.next() : null; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + Collection allProteins = intactDao.getProteinDao().getAll(); + Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + Map uniprotAndPantherMap = orthologsProteinAssociation + .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); + uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java new file mode 100644 index 000000000..d7f9d3f10 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java @@ -0,0 +1,21 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.core.StepContribution; +import org.springframework.batch.core.scope.context.ChunkContext; +import org.springframework.batch.core.step.tasklet.Tasklet; +import org.springframework.batch.repeat.RepeatStatus; +import uk.ac.ebi.intact.ortholog.OrthologsFileReader; + +@RequiredArgsConstructor +public class OrthologsReaderTasklet implements Tasklet { + + private final String urlPanther; + private final String filePath; + + @Override + public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext) throws Exception { + OrthologsFileReader.decompressGzip(urlPanther, filePath); + return RepeatStatus.FINISHED; + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java new file mode 100644 index 000000000..cc44bb4b3 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java @@ -0,0 +1,37 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.ItemWriter; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.service.InteractorService; + +import java.util.List; + +@RequiredArgsConstructor +public class ProteinCollectionWriter implements ItemWriter, ItemStream { + + private final InteractorService interactorService; + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } + + @Override + public void write(List items) throws Exception { + interactorService.saveOrUpdate(items); + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 8c0a84fee..f6ffd1025 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -28,8 +28,10 @@ + p:dataSource-ref="jamiCoreDataSource" + p:transactionManager-ref="jamiTransactionManager" /> - - - - + + - + - + + + - + + + - + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - + - - + + + + - - - - + + + + + + + + - - - - - - - + + - - + + + - - - + + + + + - - - + + + \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 3d6f9d39a..41ce91064 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,5 +1,7 @@ jami.user.context.id=ORTHOLOG_IMPORTER -reportFile = "orthologsReport.txt"; -filePath = "orthologsData.txt"; -urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; +reportFile=orthologsReport.txt +filePath=orthologsData.txt +urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz + +ac.prefix=EBI \ No newline at end of file diff --git a/orthologsReport.txt b/orthologsReport.txt new file mode 100644 index 000000000..e69de29bb From e9453bd9b38b693a7664a37453eeca07629663ef Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 14:02:24 +0100 Subject: [PATCH 29/62] adding of loggers instead of system.out --- .../intact/ortholog/OrthologsFileParser.java | 11 ++++++----- .../intact/ortholog/OrthologsFileReader.java | 18 ++++++++---------- .../ortholog/OrthologsProteinAssociation.java | 10 +++++----- 3 files changed, 19 insertions(+), 20 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 01cc3ecbc..26d42d7c0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -3,22 +3,23 @@ import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; -import java.time.Duration; import java.time.Instant; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; +import java.util.logging.Logger; import java.util.regex.Matcher; import java.util.regex.Pattern; public class OrthologsFileParser { + private static final Logger log = Logger.getLogger(OrthologsFileParser.class.getName()); + public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); Map uniprotAndPTHR = new HashMap<>(); - Instant startTime = Instant.now(); - System.out.println("Parsing file..."); + log.info("Parsing file..."); try ( BufferedReader reader = new BufferedReader(new FileReader(filePath))) { @@ -41,8 +42,8 @@ public static Map parseFile(String filePath) { throw new RuntimeException(e); } Instant endTime = Instant.now(); - System.out.println("File parsed"); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); + log.info("File parsed."); + log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index 39ea64e1e..a77e3769e 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -6,24 +6,24 @@ import java.io.*; import java.net.HttpURLConnection; import java.net.URL; -import java.time.Duration; -import java.time.Instant; +import java.util.logging.Logger; import java.util.zip.GZIPInputStream; public class OrthologsFileReader{ + private static final Logger log = Logger.getLogger(OrthologsFileReader.class.getName()); + public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); int responseCode = connection.getResponseCode(); - Instant startTime = Instant.now(); if (responseCode == HttpURLConnection.HTTP_OK) { - System.out.println("Connected to URL."); + log.info("Connected to URL."); try (InputStream in = connection.getInputStream(); GZIPInputStream gis = new GZIPInputStream(in); TarArchiveInputStream tis = new TarArchiveInputStream(gis)) { - System.out.println("Decompressing..."); + log.info("Decompressing..."); while (tis.getNextTarEntry() != null) { File outputFile = new File(filePath); try (FileOutputStream fos = new FileOutputStream(outputFile, false)) { @@ -31,17 +31,15 @@ public static void decompressGzip(String url, String filePath) throws IOExceptio IOUtils.copy(tis, fos); } } - System.out.println("File decompressed, data in " + filePath); - Instant endTime = Instant.now(); - System.out.println("Processing time:" + Duration.between(startTime, endTime)); + log.info("File decompressed, data in " + filePath); } finally { connection.disconnect(); - System.out.println("Disconnected from URL."); + log.info("Disconnected from URL."); } } else { - System.out.println("GZIP returned unexpected response: " + responseCode); + log.info("GZIP returned unexpected response: " + responseCode); } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 7bbc8beba..2461f7c20 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -9,7 +9,7 @@ public class OrthologsProteinAssociation { - private static final Logger logger = Logger.getLogger(OrthologsProteinAssociation.class.getName()); + private static final Logger log = Logger.getLogger(OrthologsProteinAssociation.class.getName()); @Resource(name="intactDao") private final IntactDao intactDao; @@ -19,14 +19,14 @@ public OrthologsProteinAssociation(IntactDao intactDao) { } public Collection getIntactProtein(){ - logger.info("Fetching all Intact Proteins..."); + log.info("Fetching all Intact Proteins..."); return intactDao.getProteinDao().getAll(); } // Method below are just for testing public Collection getFewIntactProtein() { - logger.info("Fetching few Intact Proteins..."); + log.info("Fetching few Intact Proteins..."); List fewIntactProteins = new ArrayList<>(); List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); @@ -38,7 +38,7 @@ public Collection getFewIntactProtein() { } public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { - logger.info("Associating Intact proteins to Panther identifier..."); + log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); for (IntactProtein protein : intactProteins) { @@ -48,7 +48,7 @@ public Map associateAllProteinsToPantherId(Map " + pantherId); } } - logger.info("Intact proteins associated to Panther identifier."); + log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); return intactProteinAndPanther; } } \ No newline at end of file From cd832e000eaf22a9ac105fa5c33b1ffabdf85758 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 6 Aug 2024 16:57:11 +0100 Subject: [PATCH 30/62] remove of loggers for log4j; cleaning up --- .../intact/ortholog/OrthologsFileParser.java | 8 +++----- .../intact/ortholog/OrthologsFileReader.java | 6 ++---- .../ortholog/OrthologsProteinAssociation.java | 11 ++++++----- .../intact/ortholog/OrthologsXrefWriter.java | 2 -- .../ortholog/jobs/OrthologsItemProcessor.java | 1 - .../ortholog/jobs/OrthologsItemReader.java | 4 +--- .../META-INF/orthology-import-spring.xml | 18 ++---------------- 7 files changed, 14 insertions(+), 36 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 26d42d7c0..b78704023 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,20 +1,19 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; + import java.io.BufferedReader; import java.io.FileReader; import java.io.IOException; -import java.time.Instant; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; -import java.util.logging.Logger; import java.util.regex.Matcher; import java.util.regex.Pattern; +@Log4j public class OrthologsFileParser { - private static final Logger log = Logger.getLogger(OrthologsFileParser.class.getName()); - public static Map parseFile(String filePath) { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); @@ -41,7 +40,6 @@ public static Map parseFile(String filePath) { } catch (IOException e) { throw new RuntimeException(e); } - Instant endTime = Instant.now(); log.info("File parsed."); log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java index a77e3769e..67a91eb04 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileReader.java @@ -1,18 +1,16 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; import org.apache.commons.compress.archivers.tar.TarArchiveInputStream; import org.apache.commons.io.IOUtils; - import java.io.*; import java.net.HttpURLConnection; import java.net.URL; -import java.util.logging.Logger; import java.util.zip.GZIPInputStream; +@Log4j public class OrthologsFileReader{ - private static final Logger log = Logger.getLogger(OrthologsFileReader.class.getName()); - public static void decompressGzip(String url, String filePath) throws IOException { URL gzipUrl = new URL(url); HttpURLConnection connection = (HttpURLConnection) gzipUrl.openConnection(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 2461f7c20..c5425eae3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -1,16 +1,14 @@ package uk.ac.ebi.intact.ortholog; +import lombok.extern.log4j.Log4j; import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - import javax.annotation.Resource; import java.util.*; -import java.util.logging.Logger; +@Log4j public class OrthologsProteinAssociation { - private static final Logger log = Logger.getLogger(OrthologsProteinAssociation.class.getName()); - @Resource(name="intactDao") private final IntactDao intactDao; @@ -41,11 +39,14 @@ public Map associateAllProteinsToPantherId(Map intactProteinAndPanther = new HashMap<>(); + int counter = 0; + for (IntactProtein protein : intactProteins) { String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); if (pantherId != null) { + counter += 1; intactProteinAndPanther.put(protein, pantherId); - System.out.println(protein.getUniprotkb() + " -> " + pantherId); + System.out.println(protein.getUniprotkb() + " -> " + pantherId + " index = " + counter); } } log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index c62029b24..520cc417f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -14,7 +14,6 @@ @RequiredArgsConstructor public class OrthologsXrefWriter { - private final static String PANTHER_DATABASE_ID = "EBI-968064"; private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); private final IntactDao intactDao; @@ -26,7 +25,6 @@ public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exc if (!protein.getXrefs().contains(xref)){ protein.getXrefs().add(xref); } - this.interactorService.saveOrUpdate(protein); } private InteractorXref newOrthologsXref(String id) throws Exception{ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java index a24c51859..f9b50822f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java @@ -7,7 +7,6 @@ import org.springframework.batch.item.ItemStreamException; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; - import java.util.Map; @RequiredArgsConstructor diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java index 08531972d..df5b65943 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -8,7 +8,6 @@ import org.springframework.batch.item.NonTransientResourceException; import org.springframework.batch.item.ParseException; import org.springframework.batch.item.UnexpectedInputException; -import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; @@ -20,7 +19,6 @@ @RequiredArgsConstructor public class OrthologsItemReader implements ItemReader>, ItemStream { - private final IntactDao intactDao; private final OrthologsProteinAssociation orthologsProteinAssociation; private final String filePath; @@ -33,7 +31,7 @@ public Map.Entry read() throws Exception, UnexpectedInput @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - Collection allProteins = intactDao.getProteinDao().getAll(); + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); Map uniprotAndPantherMap = orthologsProteinAssociation .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index f6ffd1025..09e6f9c7b 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -178,9 +178,8 @@ - - - + + @@ -191,19 +190,6 @@ - - - - - - - - - - - - - From bf1eec6c4c65d0a7aa771996ec0e474dba56f790 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 8 Aug 2024 16:54:25 +0100 Subject: [PATCH 31/62] Adding saving of last parsed panther index + loading from this saving --- intact-orthology-import/proteinAndPanther.txt | 1 + .../ortholog/OrthologsProteinAssociation.java | 58 +++++++++++++++++-- .../ortholog/jobs/OrthologsReaderTasklet.java | 2 +- 3 files changed, 55 insertions(+), 6 deletions(-) create mode 100644 intact-orthology-import/proteinAndPanther.txt diff --git a/intact-orthology-import/proteinAndPanther.txt b/intact-orthology-import/proteinAndPanther.txt new file mode 100644 index 000000000..cebd0c29f --- /dev/null +++ b/intact-orthology-import/proteinAndPanther.txt @@ -0,0 +1 @@ +P31377,PTHR19957,2057,2291 diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index c5425eae3..49441b181 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -4,6 +4,7 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import javax.annotation.Resource; +import java.io.*; import java.util.*; @Log4j @@ -38,18 +39,65 @@ public Collection getFewIntactProtein() { public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); + List intactProteinList = new ArrayList<>(intactProteins); int counter = 0; + int index = 0; + String[] lastSave= fetchFromStopped(); - for (IntactProtein protein : intactProteins) { - String pantherId = uniprotIdAndPanther.get(protein.getUniprotkb()); + if (lastSave != null){ + index = Integer.parseInt(lastSave[3]); + counter = Integer.parseInt(lastSave[2]); + } + + for (int i = index; i < intactProteinList.size(); i++) { + IntactProtein protein = intactProteinList.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); if (pantherId != null) { counter += 1; - intactProteinAndPanther.put(protein, pantherId); - System.out.println(protein.getUniprotkb() + " -> " + pantherId + " index = " + counter); +// intactProteinAndPanther.put(protein, pantherId); + System.out.println(proteinId + " -> " + pantherId + " index = " + counter); + dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); } } - log.info("Number of protein associated to Panther identifier: " + intactProteinAndPanther.size()); + log.info("Number of protein associated to Panther identifier: " + counter); return intactProteinAndPanther; } + + public String[] fetchFromStopped() { + String line = dataReader(); + if (line != null) { + return line.split(","); + } + return null; + } + + public static String dataReader() { + String lastLine = null; + try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 4) { + lastLine = line; + } + } + return lastLine; + } catch (IOException e) { + throw new RuntimeException(e); + } + } + + public static void dataWriter(String toWrite){ + try { + FileWriter fileWriter = new FileWriter("proteinAndPanther.txt"); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); + bufferedWriter.write(toWrite); + bufferedWriter.close(); + } + catch (Exception e) { + e.getStackTrace(); + } + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java index d7f9d3f10..ffaf183de 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java @@ -15,7 +15,7 @@ public class OrthologsReaderTasklet implements Tasklet { @Override public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext) throws Exception { - OrthologsFileReader.decompressGzip(urlPanther, filePath); +// OrthologsFileReader.decompressGzip(urlPanther, filePath); return RepeatStatus.FINISHED; } } From 76afb3394ceb47213d8a5b4d79414caf23089638 Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 13 Aug 2024 16:54:12 +0100 Subject: [PATCH 32/62] Use of batches for the protein and panther association; does not solve the memory issue --- .../ebi/intact/ortholog/OrthologsManager.java | 18 +-- .../ortholog/OrthologsProteinAssociation.java | 103 ++++++++++++------ 2 files changed, 81 insertions(+), 40 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java index 2a19e7fa8..9c76b0455 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java @@ -33,21 +33,21 @@ public static void main(String[] args) throws IOException, BridgeFailedException // OrthologsFileReader.decompressGzip(urlPanther,filePath);// working Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working - System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); - report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; +// System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); +// report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; -// Collection proteins = orthologsProteinAssociation.getIntactProtein();// working - Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); - System.out.println("Total number of Intact proteins: " + proteins.size()); - report += "Total number of Intact proteins: " + proteins.size() + "\n"; + Collection proteins = orthologsProteinAssociation.getIntactProtein();// working +// Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); +// System.out.println("Total number of Intact proteins: " + proteins.size()); +// report += "Total number of Intact proteins: " + proteins.size() + "\n"; Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); - System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); - report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; +// System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); +// report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; // orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); - reportWriter(reportFile, report); +// reportWriter(reportFile, report); } public static void reportWriter(String reportFile, String toWrite){ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 49441b181..f46eeb8d8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -6,6 +6,9 @@ import javax.annotation.Resource; import java.io.*; import java.util.*; +import java.util.concurrent.atomic.AtomicInteger; +import java.util.stream.Collectors; +import java.util.stream.Stream; @Log4j public class OrthologsProteinAssociation { @@ -22,7 +25,7 @@ public Collection getIntactProtein(){ return intactDao.getProteinDao().getAll(); } - // Method below are just for testing + // Method below is just for testing public Collection getFewIntactProtein() { log.info("Fetching few Intact Proteins..."); @@ -39,32 +42,70 @@ public Collection getFewIntactProtein() { public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { log.info("Associating Intact proteins to Panther identifier..."); Map intactProteinAndPanther = new HashMap<>(); - List intactProteinList = new ArrayList<>(intactProteins); +// List intactProteinList = new ArrayList<>(intactProteins); - int counter = 0; - int index = 0; - String[] lastSave= fetchFromStopped(); + int batchSize = 1000; - if (lastSave != null){ - index = Integer.parseInt(lastSave[3]); - counter = Integer.parseInt(lastSave[2]); - } + AtomicInteger batchCounter = new AtomicInteger(); + AtomicInteger counter = new AtomicInteger(0); + Stream intactProteinStream = intactProteins.stream(); + Stream> batches = batchStream(intactProteinStream, batchSize); - for (int i = index; i < intactProteinList.size(); i++) { - IntactProtein protein = intactProteinList.get(i); - String proteinId = protein.getUniprotkb(); - String pantherId = uniprotIdAndPanther.get(proteinId); - if (pantherId != null) { - counter += 1; -// intactProteinAndPanther.put(protein, pantherId); - System.out.println(proteinId + " -> " + pantherId + " index = " + counter); - dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); - } - } - log.info("Number of protein associated to Panther identifier: " + counter); + batches.forEach(batch -> { + for (int i = 0; i < batchSize; i++) { + counter.addAndGet(1); + IntactProtein protein = batch.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId + "," + (intactProteinAndPanther.size()) + "," + counter + "\n"); + } + } + batchCounter.addAndGet(1); + log.info("Finished processing batch, total processed proteins :" + (intactProteinAndPanther.size())); + }); + +// int counter = 0; +// int index = 0; +// int nProteinProcessed = 100; // to avoid log at each processed protein +// +// String[] lastSave= fetchFromStopped(); +// +// if (lastSave != null){ +// index = Integer.parseInt(lastSave[3]); +// counter = Integer.parseInt(lastSave[2]); +// } +// +// for (int i = index; i < intactProteinList.size(); i++) { +// IntactProtein protein = intactProteinList.get(i); +// String proteinId = protein.getUniprotkb(); +// String pantherId = uniprotIdAndPanther.get(proteinId); +// if (pantherId != null) { +// counter += 1; +//// intactProteinAndPanther.put(protein, pantherId); +// // is the system.out creating the memory issue? +// if ((counter) % nProteinProcessed == 0) { +// log.info("Protein processed: " + counter ); +// } +// dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); +// } +// } +// log.info("Number of protein associated to Panther identifier: " + counter); return intactProteinAndPanther; } + public Stream> batchStream(Stream proteinStream, int batchSize) { + List proteins = proteinStream.collect(Collectors.toList()); + int size = proteins.size(); + int numberOfBatches = (size + batchSize - 1) / batchSize; + + return Stream.iterate(0, n -> n + 1) + .limit(numberOfBatches) + .map(i -> proteins.subList(i * batchSize, (i + 1) * batchSize)); + + } + public String[] fetchFromStopped() { String line = dataReader(); if (line != null) { @@ -73,7 +114,7 @@ public String[] fetchFromStopped() { return null; } - public static String dataReader() { + public String dataReader() { String lastLine = null; try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { String line; @@ -83,21 +124,21 @@ public static String dataReader() { lastLine = line; } } + reader.close(); return lastLine; } catch (IOException e) { throw new RuntimeException(e); } } - public static void dataWriter(String toWrite){ - try { - FileWriter fileWriter = new FileWriter("proteinAndPanther.txt"); - BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); - bufferedWriter.write(toWrite); - bufferedWriter.close(); - } - catch (Exception e) { - e.getStackTrace(); + public void dataWriter(String toWrite) { + try (FileWriter fileWriter = new FileWriter("proteinAndPanther.txt", true); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { + bufferedWriter.write(toWrite); + bufferedWriter.newLine(); // Optionally add a newline after the text + + } catch (IOException e) { + e.printStackTrace(); // Print the stack trace to help with debugging } } } \ No newline at end of file From ad26174fbb14bf2688ebc7b44bcc0060d3f4c252 Mon Sep 17 00:00:00 2001 From: Susie Date: Wed, 14 Aug 2024 17:02:08 +0100 Subject: [PATCH 33/62] Use of spring batches for protein/panther association; Batches seems to work but stops at some points (~50prot: seems to be due to commits); fetching of the association results not finished; --- .../ortholog/OrthologsProteinAssociation.java | 37 +++++++++----- .../IntactProteinAndPantherProcessor.java | 42 ++++++++++++++++ .../jobs/IntactProteinAndPantherReader.java | 50 +++++++++++++++++++ .../jobs/IntactProteinAndPantherWriter.java | 37 ++++++++++++++ .../ortholog/jobs/OrthologsItemReader.java | 15 +++--- .../META-INF/orthology-import-spring.xml | 44 +++++++++++++++- 6 files changed, 205 insertions(+), 20 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index f46eeb8d8..89fe45ee3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -46,24 +46,22 @@ public Map associateAllProteinsToPantherId(Map intactProteinStream = intactProteins.stream(); Stream> batches = batchStream(intactProteinStream, batchSize); batches.forEach(batch -> { - for (int i = 0; i < batchSize; i++) { - counter.addAndGet(1); - IntactProtein protein = batch.get(i); - String proteinId = protein.getUniprotkb(); - String pantherId = uniprotIdAndPanther.get(proteinId); - if (pantherId != null) { - intactProteinAndPanther.put(protein, pantherId); - dataWriter(proteinId + "," + pantherId + "," + (intactProteinAndPanther.size()) + "," + counter + "\n"); - } + for (int i = 0; i < batchSize; i++) { + counter.addAndGet(1); + IntactProtein protein = batch.get(i); + String proteinId = protein.getUniprotkb(); + String pantherId = uniprotIdAndPanther.get(proteinId); + if (pantherId != null) { + intactProteinAndPanther.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId + "," + intactProteinAndPanther.size() + "," + counter); } - batchCounter.addAndGet(1); - log.info("Finished processing batch, total processed proteins :" + (intactProteinAndPanther.size())); + } + log.info("Finished processing batch, total processed proteins :" + intactProteinAndPanther.size()); }); // int counter = 0; @@ -114,6 +112,19 @@ public String[] fetchFromStopped() { return null; } + public Map associateOneProteinToPantherID(Map proteinAndPanther, IntactProtein protein){ + String proteinId = protein.getUniprotkb(); + String pantherId = proteinAndPanther.get(proteinId); + Map intactProteinAndPantherId = new HashMap<>(); + if (pantherId != null) { + intactProteinAndPantherId.put(protein, pantherId); + dataWriter(proteinId + "," + pantherId); + log.info(proteinId + "," + pantherId); + return intactProteinAndPantherId; + } + return intactProteinAndPantherId; + } + public String dataReader() { String lastLine = null; try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { @@ -132,7 +143,7 @@ public String dataReader() { } public void dataWriter(String toWrite) { - try (FileWriter fileWriter = new FileWriter("proteinAndPanther.txt", true); + try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(toWrite); bufferedWriter.newLine(); // Optionally add a newline after the text diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java new file mode 100644 index 000000000..83596a09c --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java @@ -0,0 +1,42 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemProcessor; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import java.util.Map; + +@RequiredArgsConstructor +public class IntactProteinAndPantherProcessor implements ItemProcessor>, ItemStream { + + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + private Map uniprotAndPanther; + + @Override + public Map process(IntactProtein protein) throws Exception { + return orthologsProteinAssociation.associateOneProteinToPantherID(uniprotAndPanther, protein); + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + try { + uniprotAndPanther = OrthologsFileParser.parseFile(filePath); + } catch (Exception e) { + throw new ItemStreamException("Error parsing the file: " + filePath, e); + } + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java new file mode 100644 index 000000000..12a24752a --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -0,0 +1,50 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemReader; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.NonTransientResourceException; +import org.springframework.batch.item.ParseException; +import org.springframework.batch.item.UnexpectedInputException; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; +import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; + +import java.util.Collection; +import java.util.Iterator; +import java.util.Map; + +@RequiredArgsConstructor +public class IntactProteinAndPantherReader implements ItemReader, ItemStream { + + private final OrthologsProteinAssociation orthologsProteinAssociation; + private final String filePath; + + private Iterator proteinIterator; + private Iterator> uniprotAndPantherIterator; + + @Override + public IntactProtein read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + return proteinIterator.hasNext() ? proteinIterator.next() : null; + } + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); + proteinIterator = allProteins.iterator(); + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java new file mode 100644 index 000000000..b51953f81 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -0,0 +1,37 @@ +package uk.ac.ebi.intact.ortholog.jobs; + +import lombok.RequiredArgsConstructor; +import org.springframework.batch.item.ExecutionContext; +import org.springframework.batch.item.ItemStream; +import org.springframework.batch.item.ItemStreamException; +import org.springframework.batch.item.ItemWriter; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; +import uk.ac.ebi.intact.jami.service.InteractorService; + +import java.util.List; + +@RequiredArgsConstructor +public class IntactProteinAndPantherWriter implements ItemWriter, ItemStream { + + private final InteractorService interactorService; + + @Override + public void open(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void update(ExecutionContext executionContext) throws ItemStreamException { + + } + + @Override + public void close() throws ItemStreamException { + + } + + @Override + public void write(List items) throws Exception { + interactorService.saveOrUpdate(items); + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java index df5b65943..2ec05e29b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java @@ -11,6 +11,7 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import uk.ac.ebi.intact.ortholog.jobs.IntactProteinAndPantherProcessor; import java.util.Collection; import java.util.Iterator; @@ -21,8 +22,10 @@ public class OrthologsItemReader implements ItemReader> uniprotAndPantherIterator; + private Map uniprotAndPanther; + private IntactProteinAndPantherProcessor processor; + @Override public Map.Entry read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { @@ -31,11 +34,11 @@ public Map.Entry read() throws Exception, UnexpectedInput @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - Collection allProteins = orthologsProteinAssociation.getIntactProtein(); - Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); - Map uniprotAndPantherMap = orthologsProteinAssociation - .associateAllProteinsToPantherId(uniprotAndPanther, allProteins); - uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); +// Collection allProteins = orthologsProteinAssociation.getIntactProtein(); +// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); +// Map uniprotAndPantherMap = processor.process(); + //TODO: see how to fetch the uniprotAndPantherMap results +// uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); } @Override diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 09e6f9c7b..0be3eb96f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -190,6 +190,46 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -226,9 +266,11 @@ - + + + \ No newline at end of file From 9ebde267755553f6fa7c44f5cf91569bb012315f Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 16 Aug 2024 10:11:40 +0100 Subject: [PATCH 34/62] Modification of the parsing method to solve the memory issue --- intact-orthology-import/pom.xml | 6 + intact-orthology-import/proteinAndPanther.txt | 29819 +++++++++++++++- .../intact/ortholog/OrthologsFileParser.java | 53 +- .../ortholog/OrthologsProteinAssociation.java | 38 +- .../intact/ortholog/OrthologsXrefWriter.java | 7 +- .../IntactProteinAndPantherProcessor.java | 22 +- .../jobs/IntactProteinAndPantherReader.java | 27 +- .../jobs/IntactProteinAndPantherWriter.java | 42 +- .../META-INF/orthology-import-spring.xml | 81 +- .../META-INF/orthology-import.properties | 6 +- 10 files changed, 30018 insertions(+), 83 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index d2e135528..6a1dfebf5 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -117,5 +117,11 @@ compile + + commons-io + commons-io + 2.4 + + diff --git a/intact-orthology-import/proteinAndPanther.txt b/intact-orthology-import/proteinAndPanther.txt index cebd0c29f..312fe8814 100644 --- a/intact-orthology-import/proteinAndPanther.txt +++ b/intact-orthology-import/proteinAndPanther.txt @@ -1 +1,29818 @@ -P31377,PTHR19957,2057,2291 +P38084,PTHR43341,1,4 + +P41815,PTHR43341,2,5 + +P22035,PTHR45614,3,6 + +P38891,PTHR11825,4,9 + +P47176,PTHR11825,5,10 + +Q01389,PTHR48016,6,11 + +P32839,PTHR23070,7,13 + +P35817,PTHR22880,8,14 + +P39714,PTHR43161,9,15 + +P29366,PTHR15706,10,16 + +P39960,PTHR23176,11,17 + +P32873,PTHR23176,12,18 + +P39011,PTHR10957,13,19 + +P22804,PTHR12791,14,20 + +P20133,PTHR11774,15,21 + +P36149,PTHR13048,16,22 + +Q00618,PTHR11129,17,23 + +Q03630,PTHR23249,18,24 + +P47113,PTHR35140,19,25 + +P38934,PTHR31027,20,26 + +P15703,PTHR16631,21,27 + +P11709,PTHR18916,22,28 + +P40013,PTHR10623,23,29 + +P53744,PTHR45649,24,30 + +P50277,PTHR42684,25,31 + +P53630,PTHR43210,26,32 + +P47134,PTHR46771,27,33 + +Q01532,PTHR10363,28,34 + 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+Q9BST9,PTHR21538,14545,21062 + +Q06335,PTHR23103,14546,21063 + +Q14185,PTHR45653,14547,21064 + +P61092,PTHR45877,14548,21065 + +Q9TW65,PTHR12268,14549,21068 + +P46989,PTHR15071,14550,21069 + +Q8R4E9,PTHR28637,14551,21071 + +P97310,PTHR11630,14552,21072 + +Q9UPR3,PTHR15696,14553,21073 + +P16554,PTHR11232,14554,21077 + +Q93YQ1,PTHR12848,14555,21079 + +Q8W4I9,PTHR23189,14556,21080 + +Q8TEQ6,PTHR46362,14557,21081 + +O14893,PTHR12794,14558,21082 + +P46982,PTHR31646,14559,21083 + +P39535,PTHR10283,14560,21086 + +Q8LE52,PTHR44420,14561,21087 + +Q05431,PTHR31356,14562,21088 + +Q96266,PTHR43900,14563,21089 + +Q9XI01,PTHR18929,14564,21091 + +O22870,PTHR43811,14565,21092 + +P23321,PTHR34058,14566,21093 + +Q9S841,PTHR34058,14567,21094 + +Q9VKJ8,PTHR12631,14568,21095 + +Q9VKY2,PTHR12696,14569,21096 + +Q9VBR3,PTHR45617,14570,21097 + +Q9V4F3,PTHR23285,14571,21099 + +Q9VM16,PTHR22802,14572,21100 + +Q9VTE8,PTHR23334,14573,21102 + +P16972,PTHR43112,14574,21104 + +Q9VC56,PTHR24006,14575,21105 + +Q6QU65,PTHR11905,14576,21106 + +Q6BER6,PTHR13381,14577,21107 + +Q9VIB3,PTHR43142,14578,21108 + +Q9VQR3,PTHR23274,14579,21111 + +Q95Q17,PTHR21428,14580,21112 + +Q9Y114,PTHR46424,14581,21114 + +P26019,PTHR45861,14582,21115 + +Q7KRY7,PTHR23119,14583,21116 + +A1ZAB5,PTHR12601,14584,21117 + +Q6NQY9,PTHR24031,14585,21118 + +Q9VW01,PTHR11567,14586,21119 + +Q9VEY4,PTHR22957,14587,21120 + +P45966,PTHR13345,14588,21121 + +Q9VDC9,PTHR13170,14589,21122 + +Q15276,PTHR31179,14590,21123 + +P16356,PTHR19376,14591,21125 + +Q00731,PTHR12025,14592,21126 + +Q9VUK8,PTHR10745,14593,21127 + +Q8IPZ3,PTHR11695,14594,21129 + +P61205,PTHR11711,14595,21130 + +Q08331,PTHR19972,14596,21131 + +P05063,PTHR11627,14597,21133 + +P15105,PTHR20852,14598,21134 + +P32525,PTHR45808,14599,21136 + +P39531,PTHR12100,14600,21137 + +P39529,PTHR47540,14601,21138 + +P39526,PTHR21663,14602,21139 + +Q3U0V2,PTHR14913,14603,21140 + +Q9VIH7,PTHR23354,14604,21142 + +Q9Z2K1,PTHR23239,14605,21143 + +Q61781,PTHR23239,14606,21144 + +Q9VEW2,PTHR13596,14607,21145 + +Q9VMA7,PTHR23158,14608,21146 + +Q9VHV6,PTHR13021,14609,21148 + +A1Z7X3,PTHR24235,14610,21149 + +Q9HCK4,PTHR44170,14611,21150 + +Q42403,PTHR10438,14612,21154 + +P10896,PTHR32429,14613,21155 + +P28627,PTHR12383,14614,21156 + +Q9VXR9,PTHR13994,14615,21157 + +A1Z9R1,PTHR22792,14616,21158 + +P46283,PTHR11556,14617,21160 + +P25697,PTHR10285,14618,21161 + +Q1WIQ6,PTHR42991,14619,21163 + +Q9MA79,PTHR11556,14620,21164 + +O22914,PTHR33921,14621,21165 + +Q9LZP9,PTHR33921,14622,21167 + +Q9SKP6,PTHR21139,14623,21168 + +P40890,PTHR12106,14624,21169 + +P40889,PTHR14074,14625,21170 + +P47082,PTHR48017,14626,21171 + +Q8IN79,PTHR34491,14627,21174 + +P47085,PTHR11060,14628,21175 + +P47088,PTHR12886,14629,21178 + +P47090,PTHR34814,14630,21179 + +P47095,PTHR10640,14631,21181 + +P47098,PTHR45895,14632,21183 + +Q92831,PTHR45750,14633,21184 + +P47100,PTHR45895,14634,21186 + +P36117,PTHR11188,14635,21190 + +P36119,PTHR12963,14636,21192 + +P36122,PTHR31975,14637,21194 + +P36125,PTHR12841,14638,21195 + +Q7K4E0,PTHR22826,14639,21198 + +P36130,PTHR19855,14640,21200 + +P36132,PTHR11735,14641,21204 + +Q96FX2,PTHR21454,14642,21206 + +Q9UGK8,PTHR45622,14643,21207 + +Q14344,PTHR10218,14644,21208 + +Q92888,PTHR45872,14645,21209 + +Q9Y3M8,PTHR12659,14646,21215 + +Q9VPK5,PTHR21567,14647,21216 + +Q9VJ81,PTHR48043,14648,21217 + +P61086,PTHR24068,14649,21218 + +Q94JQ4,PTHR11803,14650,21219 + +Q9M3D0,PTHR11614,14651,21220 + +P21807,PTHR45652,14652,21221 + +Q61084,PTHR24361,14653,21222 + +Q8ING5,PTHR23078,14654,21223 + +P11995,PTHR11511,14655,21224 + +Q8IMQ6,PTHR21143,14656,21225 + +P82985,PTHR21137,14657,21226 + +Q99N48,PTHR45716,14658,21227 + +P82712,PTHR24305,14659,21228 + +P26016,PTHR42884,14660,21232 + +Q91V27,PTHR14555,14661,21233 + +Q0VAV2,PTHR21469,14662,21234 + +Q9R0Q1,PTHR45716,14663,21235 + +Q9W1N5,PTHR21143,14664,21236 + +O00291,PTHR10407,14665,21237 + +F4HZB2,PTHR46108,14666,21238 + +B5X0I6,PTHR14027,14667,21239 + +Q99963,PTHR14167,14668,21240 + +Q8H102,PTHR16223,14669,21241 + +Q9FG37,PTHR19302,14670,21242 + +Q9T0I6,PTHR11140,14671,21243 + +B3H4Y3,PTHR37710,14672,21244 + +O43312,PTHR15708,14673,21245 + +Q6NQ80,PTHR47820,14674,21246 + +P02340,PTHR11447,14675,21247 + +Q15262,PTHR19134,14676,21248 + +P55854,PTHR10562,14677,21249 + +Q8NEY8,PTHR15836,14678,21250 + +Q9LYR4,PTHR10683,14679,21251 + +Q9SUM2,PTHR11021,14680,21253 + +Q9FHQ5,PTHR31861,14681,21254 + +Q6IDC0,PTHR47747,14682,21256 + +P07548,PTHR45771,14683,21257 + +Q07171,PTHR11977,14684,21262 + +Q9VGU4,PTHR11188,14685,21263 + +P47708,PTHR45729,14686,21267 + +P63011,PTHR47980,14687,21268 + +P55258,PTHR47980,14688,21269 + +Q9VMI4,PTHR24224,14689,21271 + +O14787,PTHR10527,14690,21272 + +Q9VTH1,PTHR45622,14691,21274 + +Q64727,PTHR46180,14692,21276 + +P97311,PTHR11630,14693,21277 + +Q60862,PTHR14052,14694,21278 + +P49717,PTHR11630,14695,21279 + +Q61881,PTHR11630,14696,21280 + +Q17R13,PTHR24418,14697,21281 + +O88643,PTHR48015,14698,21282 + +G5E8K5,PTHR24198,14699,21283 + +Q9XZ14,PTHR11733,14700,21284 + +Q9VQB4,PTHR22604,14701,21286 + +O18973,PTHR23101,14702,21290 + +Q9NZ52,PTHR45905,14703,21291 + +Q9VQ89,PTHR16453,14704,21292 + +Q9VXY8,PTHR12406,14705,21299 + +Q6QNY0,PTHR31974,14706,21300 + +Q9UUM2,PTHR22940,14707,21301 + +O14350,PTHR13220,14708,21302 + +Q9D415,PTHR12353,14709,21303 + +Q8BFV3,PTHR10159,14710,21304 + +Q8R071,PTHR12400,14711,21305 + +D3ZZK3,PTHR46877,14712,21306 + +Q99104,PTHR13140,14713,21308 + +Q60823,PTHR24356,14714,21309 + +Q61411,PTHR24070,14715,21310 + +O04090,PTHR43112,14716,21311 + +P28496,PTHR12560,14717,21312 + +Q8H166,PTHR12411,14718,21314 + +Q9LIR4,PTHR21000,14719,21315 + +P27140,PTHR11002,14720,21316 + +Q9W468,PTHR45784,14721,21317 + +P42737,PTHR11002,14722,21319 + +Q9LS40,PTHR13683,14723,21320 + +P37702,PTHR10353,14724,21321 + +P28493,PTHR31048,14725,21322 + +P42734,PTHR42683,14726,21323 + +Q9FJY6,PTHR11122,14727,21324 + +Q9M5K3,PTHR22912,14728,21325 + +Q9CQ20,PTHR14315,14729,21326 + +P47133,PTHR12760,14730,21327 + +P47137,PTHR11732,14731,21328 + +P47138,PTHR24074,14732,21329 + +P47139,PTHR11440,14733,21330 + +P47140,PTHR23248,14734,21331 + +P38841,PTHR28288,14735,21333 + +P38842,PTHR10989,14736,21334 + +Q14194,PTHR11647,14737,21335 + +P38843,PTHR35329,14738,21336 + +P35080,PTHR13936,14739,21337 + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index b78704023..0dce289d0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -1,10 +1,10 @@ package uk.ac.ebi.intact.ortholog; import lombok.extern.log4j.Log4j; +import org.apache.commons.io.FileUtils; -import java.io.BufferedReader; -import java.io.FileReader; -import java.io.IOException; +import java.io.*; +import java.nio.file.Path; import java.util.ArrayList; import java.util.HashMap; import java.util.Map; @@ -44,4 +44,51 @@ public static Map parseFile(String filePath) { log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); return uniprotAndPTHR; } + + public static void parseFileAndSave(String inputFilePath, String outputDirPath) throws IOException { + Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + Pattern pantherRegex = Pattern.compile("PTHR\\d+"); + long uniprotAndPantherCount = 0; + log.info("Parsing file..."); + + File outputDir = new File(outputDirPath); + // First, we empty de directory to start clean + if (outputDir.exists()) { + FileUtils.deleteDirectory(outputDir); + } + outputDir.mkdirs(); + + try (BufferedReader reader = new BufferedReader(new FileReader(inputFilePath))) { + + String line; + while ((line = reader.readLine()) != null) { + ArrayList uniprotMatches = new ArrayList<>(); + + Matcher uniprotMatcher = uniprotKBRegex.matcher(line); + Matcher pantherMatcher = pantherRegex.matcher(line); + + while (uniprotMatcher.find()) { + uniprotMatches.add(uniprotMatcher.group(1)); + } + while (pantherMatcher.find()) { + for (String uniprotMatch : uniprotMatches) { + writePair(outputDir.toPath(), uniprotMatch, pantherMatcher.group()); + uniprotAndPantherCount += uniprotMatches.size(); + } + } + } + } + + log.info("File parsed."); + log.info("Number of Panther identifiers: " + uniprotAndPantherCount); + } + + private static void writePair(Path dirPath, String uniprotId, String pantherId) throws IOException { + Path filePath = dirPath.resolve(uniprotId); + try (FileWriter fileWriter = new FileWriter(filePath.toFile(), true); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { + bufferedWriter.write(uniprotId + "," + pantherId); + bufferedWriter.newLine(); // Optionally add a newline after the text + } + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 89fe45ee3..1fa32e744 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -5,6 +5,7 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import javax.annotation.Resource; import java.io.*; +import java.nio.file.Path; import java.util.*; import java.util.concurrent.atomic.AtomicInteger; import java.util.stream.Collectors; @@ -93,7 +94,7 @@ public Map associateAllProteinsToPantherId(Map> batchStream(Stream proteinStream, int batchSize) { + public Stream> batchStream(Stream proteinStream, int batchSize) { List proteins = proteinStream.collect(Collectors.toList()); int size = proteins.size(); int numberOfBatches = (size + batchSize - 1) / batchSize; @@ -102,14 +103,14 @@ public Stream> batchStream(Stream proteinStre .limit(numberOfBatches) .map(i -> proteins.subList(i * batchSize, (i + 1) * batchSize)); - } + } public String[] fetchFromStopped() { - String line = dataReader(); - if (line != null) { - return line.split(","); - } - return null; + String line = dataReader(); + if (line != null) { + return line.split(","); + } + return null; } public Map associateOneProteinToPantherID(Map proteinAndPanther, IntactProtein protein){ @@ -145,11 +146,30 @@ public String dataReader() { public void dataWriter(String toWrite) { try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { - bufferedWriter.write(toWrite); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.write(toWrite); + bufferedWriter.newLine(); // Optionally add a newline after the text } catch (IOException e) { e.printStackTrace(); // Print the stack trace to help with debugging } } + + public static Collection associateOneProteinToPantherIds(String dirPath, IntactProtein protein) throws IOException { + Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + List pantherIds = new ArrayList<>(); + try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 2) { + String proteinId = parts[0]; + if (proteinId.equals(protein.getUniprotkb())) { + pantherIds.add(parts[1]); + } + + } + } + } + return pantherIds; + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 520cc417f..942c066ac 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -17,7 +17,12 @@ public class OrthologsXrefWriter { private final static String PANTHER_DATABASE_MI = "MI:0702"; private final Map cvTermMap = new HashMap<>(); private final IntactDao intactDao; - private final InteractorService interactorService; + + public void addOrthologyXrefs(IntactProtein protein, Collection pantherIds) throws Exception{ + for (String pantherId: pantherIds) { + addOrthologyXref(protein, pantherId); + } + } public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java index 83596a09c..53bd2ed35 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherProcessor.java @@ -6,29 +6,23 @@ import org.springframework.batch.item.ItemStream; import org.springframework.batch.item.ItemStreamException; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.ortholog.OrthologsFileParser; -import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; -import java.util.Map; +import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; +import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; @RequiredArgsConstructor -public class IntactProteinAndPantherProcessor implements ItemProcessor>, ItemStream { +public class IntactProteinAndPantherProcessor implements ItemProcessor, ItemStream { - private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String filePath; - private Map uniprotAndPanther; + private final OrthologsXrefWriter orthologsXrefWriter; @Override - public Map process(IntactProtein protein) throws Exception { - return orthologsProteinAssociation.associateOneProteinToPantherID(uniprotAndPanther, protein); + public IntactProtein process(ProteinAndPantherGroup proteinAndPantherGroup) throws Exception { + orthologsXrefWriter.addOrthologyXrefs(proteinAndPantherGroup.getProtein(), proteinAndPantherGroup.getPantherIds()); + return proteinAndPantherGroup.getProtein(); } @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - try { - uniprotAndPanther = OrthologsFileParser.parseFile(filePath); - } catch (Exception e) { - throw new ItemStreamException("Error parsing the file: " + filePath, e); - } + } @Override diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 12a24752a..88e4ac5cb 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -11,27 +11,42 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; +import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; +import java.io.IOException; import java.util.Collection; import java.util.Iterator; -import java.util.Map; @RequiredArgsConstructor -public class IntactProteinAndPantherReader implements ItemReader, ItemStream { +public class IntactProteinAndPantherReader implements ItemReader, ItemStream { private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String filePath; + private final String uncompressedPantherFilePath; + private final String proteinPantherPairDirPath; private Iterator proteinIterator; - private Iterator> uniprotAndPantherIterator; @Override - public IntactProtein read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { - return proteinIterator.hasNext() ? proteinIterator.next() : null; + public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + while (proteinIterator.hasNext()) { + IntactProtein protein = proteinIterator.next(); + Collection pantherIds = OrthologsProteinAssociation + .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); + if (!pantherIds.isEmpty()) { + return new ProteinAndPantherGroup(protein, pantherIds); + } + } + return null; } @Override public void open(ExecutionContext executionContext) throws ItemStreamException { + try { + OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); + } catch (IOException e) { + throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); + } + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java index b51953f81..a387a7147 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -8,30 +8,58 @@ import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.service.InteractorService; +import java.io.BufferedWriter; +import java.io.FileWriter; +import java.io.IOException; import java.util.List; +import java.util.Map; @RequiredArgsConstructor -public class IntactProteinAndPantherWriter implements ItemWriter, ItemStream { +public class IntactProteinAndPantherWriter implements ItemWriter>, ItemStream { private final InteractorService interactorService; + private BufferedWriter bufferedWriter; @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - + try { + FileWriter fileWriter = new FileWriter("proteinAndPantherBatches2.txt", true); + bufferedWriter = new BufferedWriter(fileWriter); + } catch (IOException e) { + throw new ItemStreamException("Error opening file for writing", e); + } } @Override public void update(ExecutionContext executionContext) throws ItemStreamException { - + // Implement if needed for checkpointing } @Override public void close() throws ItemStreamException { - + try { + if (bufferedWriter != null) { + bufferedWriter.close(); + } + } catch (IOException e) { + throw new ItemStreamException("Error closing file writer", e); + } } @Override - public void write(List items) throws Exception { - interactorService.saveOrUpdate(items); + public void write(List> items) throws Exception { + try { + for (Map item : items) { + for (Map.Entry entry : item.entrySet()) { + String protein = entry.getKey().getUniprotkb(); + String pantherIndex = entry.getValue(); + bufferedWriter.write(protein + "," + pantherIndex); + bufferedWriter.newLine(); // Optionally add a newline after the text + } + } + bufferedWriter.flush(); // Ensure all data is written to the file + } catch (IOException e) { + throw new ItemStreamException("Error writing to file", e); + } } -} \ No newline at end of file +} diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 0be3eb96f..7525dd65f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -174,37 +174,37 @@ - + - - - - + + + + - - - + + + - - - + + + - + + - - + - + @@ -231,30 +231,30 @@ - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + @@ -269,8 +269,7 @@ - - + \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 41ce91064..f17cd4a42 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,7 +1,11 @@ jami.user.context.id=ORTHOLOG_IMPORTER reportFile=orthologsReport.txt -filePath=orthologsData.txt +#filePath=orthologsData.txt +uncompressedPantherFilePath=orthologsData.txt +#proteinPantherPairFilePath=ProteinAndOrthologPairs.txt urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz +proteinPantherPairDirPath=ProteinAndOrthologPairs + ac.prefix=EBI \ No newline at end of file From 03a47ca4519bcf20477bcb485dd9b4283069cf1f Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 16 Aug 2024 10:14:17 +0100 Subject: [PATCH 35/62] Modification of the parsing method to solve the memory issue --- .../ortholog/model/ProteinAndPantherGroup.java | 13 +++++++++++++ 1 file changed, 13 insertions(+) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java new file mode 100644 index 000000000..5b40174b5 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java @@ -0,0 +1,13 @@ +package uk.ac.ebi.intact.ortholog.model; + +import lombok.Value; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import java.util.Collection; + +@Value +public class ProteinAndPantherGroup { + + IntactProtein protein; + Collection pantherIds; +} \ No newline at end of file From 1e13b5498ad191edac666d13bb1b7a5bf15ac24b Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 19 Aug 2024 16:26:35 +0100 Subject: [PATCH 36/62] Fixing some association issues (wrong writer used, path bugs); removal of useless comments --- .../intact/ortholog/OrthologsFileParser.java | 2 +- .../ortholog/OrthologsProteinAssociation.java | 30 +++++++++++-------- .../intact/ortholog/OrthologsXrefWriter.java | 2 -- .../jobs/IntactProteinAndPantherReader.java | 10 +++---- .../jobs/IntactProteinAndPantherWriter.java | 5 ++-- .../META-INF/orthology-import-spring.xml | 10 +++---- 6 files changed, 31 insertions(+), 28 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 0dce289d0..e60d8628c 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -88,7 +88,7 @@ private static void writePair(Path dirPath, String uniprotId, String pantherId) try (FileWriter fileWriter = new FileWriter(filePath.toFile(), true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(uniprotId + "," + pantherId); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 1fa32e744..52d062eb8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -147,27 +147,33 @@ public void dataWriter(String toWrite) { try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { bufferedWriter.write(toWrite); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } catch (IOException e) { - e.printStackTrace(); // Print the stack trace to help with debugging + e.printStackTrace(); } } public static Collection associateOneProteinToPantherIds(String dirPath, IntactProtein protein) throws IOException { - Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + String proteinAc = protein.getUniprotkb(); List pantherIds = new ArrayList<>(); - try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { - String line; - while ((line = reader.readLine()) != null) { - String[] parts = line.split(","); - if (parts.length == 2) { - String proteinId = parts[0]; - if (proteinId.equals(protein.getUniprotkb())) { - pantherIds.add(parts[1]); + if (proteinAc != null) { + Path filePath = Path.of(dirPath).resolve(protein.getUniprotkb()); + if (filePath.toFile().exists()) { + try (BufferedReader reader = new BufferedReader(new FileReader(filePath.toFile()))) { + String line; + while ((line = reader.readLine()) != null) { + String[] parts = line.split(","); + if (parts.length == 2) { + String proteinId = parts[0]; + if (proteinId.equals(protein.getUniprotkb())) { + pantherIds.add(parts[1]); + } + + } } - } + return pantherIds; } } return pantherIds; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 942c066ac..8960a5632 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -6,7 +6,6 @@ import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; -import uk.ac.ebi.intact.jami.service.InteractorService; import uk.ac.ebi.intact.jami.utils.IntactUtils; import java.util.*; import java.util.Map; @@ -24,7 +23,6 @@ public void addOrthologyXrefs(IntactProtein protein, Collection pantherI } } - public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exception{ InteractorXref xref = newOrthologsXref(pantherId); if (!protein.getXrefs().contains(xref)){ diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 88e4ac5cb..4baea3cea 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -41,11 +41,11 @@ public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - try { - OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); - } catch (IOException e) { - throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); - } +// try { +// OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); +// } catch (IOException e) { +// throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); +// } Collection allProteins = orthologsProteinAssociation.getIntactProtein(); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java index a387a7147..23855bbab 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java @@ -32,7 +32,6 @@ public void open(ExecutionContext executionContext) throws ItemStreamException { @Override public void update(ExecutionContext executionContext) throws ItemStreamException { - // Implement if needed for checkpointing } @Override @@ -54,10 +53,10 @@ public void write(List> items) throws Excep String protein = entry.getKey().getUniprotkb(); String pantherIndex = entry.getValue(); bufferedWriter.write(protein + "," + pantherIndex); - bufferedWriter.newLine(); // Optionally add a newline after the text + bufferedWriter.newLine(); } } - bufferedWriter.flush(); // Ensure all data is written to the file + bufferedWriter.flush(); } catch (IOException e) { throw new ItemStreamException("Error writing to file", e); } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 7525dd65f..688447e4c 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -186,9 +186,9 @@ - - - + + + @@ -213,7 +213,7 @@ @@ -224,7 +224,7 @@ - + From 27b8a375d112694e5f20ea7bc8a9fb13dff8bfef Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 30 Aug 2024 15:55:00 +0100 Subject: [PATCH 37/62] writing in db for each 1000 proteins --- .../src/main/resources/META-INF/orthology-import-spring.xml | 1 + 1 file changed, 1 insertion(+) diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 688447e4c..62f9baef5 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -214,6 +214,7 @@ From 29aeebab2f2ace12d0371d44dabaf5a2b7eef6fb Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Tue, 3 Sep 2024 13:00:09 +0100 Subject: [PATCH 38/62] Add xrefs to interactors --- complex-go-export/pom.xml | 2 +- complex-pdb-export/pom.xml | 2 +- complex-tab-export/pom.xml | 2 +- complex-uniprot-dr-export/pom.xml | 2 +- cttv-exporter/pom.xml | 2 +- imex-id-update/pom.xml | 2 +- intact-cvutils/pom.xml | 2 +- intact-db-importer/pom.xml | 2 +- intact-enricher/pom.xml | 2 +- intact-mi-cluster-score/pom.xml | 2 +- intact-mutation-export/pom.xml | 2 +- intact-pdbe-import/pom.xml | 2 +- intact-tasks/pom.xml | 2 +- intact-uniprot-export/pom.xml | 2 +- pom.xml | 2 +- psimi/intact-psimi-exporter/pom.xml | 2 +- psimi/pom.xml | 2 +- .../intact-calimocho-converters/pom.xml | 2 +- psimi/psimitab/intact-jami-mitab/pom.xml | 2 +- .../intact-psimitab-converters/pom.xml | 2 +- psimi/psimitab/intact-solr-home/pom.xml | 2 +- psimi/psimitab/intact-solr/pom.xml | 2 +- .../psimi/solr/complex/ComplexInteractor.java | 15 ++++- .../solr/complex/ComplexInteractorXref.java | 66 +++++++++++++++++++ .../solr/enricher/ComplexSolrEnricher.java | 13 +++- .../psimi/solr/util/ComplexUtils.java | 4 ++ psimi/psimitab/pom.xml | 2 +- psimi/psixml/intact-jami-xml/pom.xml | 2 +- psimi/psixml/intact-psixml-converters/pom.xml | 2 +- psimi/psixml/intact-psixml-dbimporter/pom.xml | 2 +- psimi/psixml/intact-psixml-exchange/pom.xml | 2 +- psimi/psixml/pom.xml | 2 +- structured-abstract/pom.xml | 2 +- 33 files changed, 125 insertions(+), 31 deletions(-) create mode 100644 psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractorXref.java diff --git a/complex-go-export/pom.xml b/complex-go-export/pom.xml index 3b8d6eec4..ee2287dce 100644 --- a/complex-go-export/pom.xml +++ b/complex-go-export/pom.xml @@ -5,7 +5,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT complex-go-export diff --git a/complex-pdb-export/pom.xml b/complex-pdb-export/pom.xml index 0ee01f1c7..d016a72e8 100644 --- a/complex-pdb-export/pom.xml +++ b/complex-pdb-export/pom.xml @@ -5,7 +5,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT complex-pdb-export diff --git a/complex-tab-export/pom.xml b/complex-tab-export/pom.xml index d8045b4fa..177f8e586 100644 --- a/complex-tab-export/pom.xml +++ b/complex-tab-export/pom.xml @@ -5,7 +5,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT diff --git a/complex-uniprot-dr-export/pom.xml b/complex-uniprot-dr-export/pom.xml index 0a3f660ab..2f856cc92 100644 --- a/complex-uniprot-dr-export/pom.xml +++ b/complex-uniprot-dr-export/pom.xml @@ -5,7 +5,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT complex-uniprot-dr-export diff --git a/cttv-exporter/pom.xml b/cttv-exporter/pom.xml index 269d6861d..79324b587 100644 --- a/cttv-exporter/pom.xml +++ b/cttv-exporter/pom.xml @@ -3,7 +3,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/imex-id-update/pom.xml b/imex-id-update/pom.xml index bf2ab507d..db7459438 100755 --- a/imex-id-update/pom.xml +++ b/imex-id-update/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT uk.ac.ebi.intact.dataexchange.imex diff --git a/intact-cvutils/pom.xml b/intact-cvutils/pom.xml index e721bd51e..87f67fce4 100644 --- a/intact-cvutils/pom.xml +++ b/intact-cvutils/pom.xml @@ -3,7 +3,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/intact-db-importer/pom.xml b/intact-db-importer/pom.xml index a13cb4d64..c8f39ae26 100644 --- a/intact-db-importer/pom.xml +++ b/intact-db-importer/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-db-importer diff --git a/intact-enricher/pom.xml b/intact-enricher/pom.xml index bce209919..0cb4bfcf3 100644 --- a/intact-enricher/pom.xml +++ b/intact-enricher/pom.xml @@ -4,7 +4,7 @@ intact-dataexchange-master uk.ac.ebi.intact.dataexchange - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/intact-mi-cluster-score/pom.xml b/intact-mi-cluster-score/pom.xml index 97154cd91..d88af8727 100644 --- a/intact-mi-cluster-score/pom.xml +++ b/intact-mi-cluster-score/pom.xml @@ -4,7 +4,7 @@ intact-dataexchange-master uk.ac.ebi.intact.dataexchange - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-mi-cluster-score diff --git a/intact-mutation-export/pom.xml b/intact-mutation-export/pom.xml index 3fbc37c52..4668f9e57 100644 --- a/intact-mutation-export/pom.xml +++ b/intact-mutation-export/pom.xml @@ -3,7 +3,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/intact-pdbe-import/pom.xml b/intact-pdbe-import/pom.xml index feab18848..fbf09bcf4 100644 --- a/intact-pdbe-import/pom.xml +++ b/intact-pdbe-import/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/intact-tasks/pom.xml b/intact-tasks/pom.xml index 92ccd0d3a..0634e4a85 100644 --- a/intact-tasks/pom.xml +++ b/intact-tasks/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/intact-uniprot-export/pom.xml b/intact-uniprot-export/pom.xml index 354c75f13..4b8731580 100644 --- a/intact-uniprot-export/pom.xml +++ b/intact-uniprot-export/pom.xml @@ -3,7 +3,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/pom.xml b/pom.xml index e828ba93c..ef0ec8a0a 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master pom - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT IntAct Data Exchange Data Exchange Master POM diff --git a/psimi/intact-psimi-exporter/pom.xml b/psimi/intact-psimi-exporter/pom.xml index f1f9df9fa..e3ded35b2 100644 --- a/psimi/intact-psimi-exporter/pom.xml +++ b/psimi/intact-psimi-exporter/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange.psimi intact-psimi-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-psimi-exporter diff --git a/psimi/pom.xml b/psimi/pom.xml index 770b76615..5663f78cc 100644 --- a/psimi/pom.xml +++ b/psimi/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psimitab/intact-calimocho-converters/pom.xml b/psimi/psimitab/intact-calimocho-converters/pom.xml index d74f8a9a1..9a10354f5 100644 --- a/psimi/psimitab/intact-calimocho-converters/pom.xml +++ b/psimi/psimitab/intact-calimocho-converters/pom.xml @@ -4,7 +4,7 @@ psimitab-master uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-calimocho-converters diff --git a/psimi/psimitab/intact-jami-mitab/pom.xml b/psimi/psimitab/intact-jami-mitab/pom.xml index 0f01a89f2..d600dcf50 100644 --- a/psimi/psimitab/intact-jami-mitab/pom.xml +++ b/psimi/psimitab/intact-jami-mitab/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange.psimi psimitab-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-jami-mitab diff --git a/psimi/psimitab/intact-psimitab-converters/pom.xml b/psimi/psimitab/intact-psimitab-converters/pom.xml index 870687f08..639da1468 100755 --- a/psimi/psimitab/intact-psimitab-converters/pom.xml +++ b/psimi/psimitab/intact-psimitab-converters/pom.xml @@ -3,7 +3,7 @@ psimitab-master uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psimitab/intact-solr-home/pom.xml b/psimi/psimitab/intact-solr-home/pom.xml index 2636ef9e7..70d92f92b 100644 --- a/psimi/psimitab/intact-solr-home/pom.xml +++ b/psimi/psimitab/intact-solr-home/pom.xml @@ -3,7 +3,7 @@ psimitab-master uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psimitab/intact-solr/pom.xml b/psimi/psimitab/intact-solr/pom.xml index d5cf73368..e5ab81cde 100644 --- a/psimi/psimitab/intact-solr/pom.xml +++ b/psimi/psimitab/intact-solr/pom.xml @@ -6,7 +6,7 @@ psimitab-master uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractor.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractor.java index d2241f99b..18f9658dd 100644 --- a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractor.java +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractor.java @@ -1,5 +1,7 @@ package uk.ac.ebi.intact.dataexchange.psimi.solr.complex; +import java.util.List; + public class ComplexInteractor { /*************************/ @@ -15,7 +17,8 @@ public ComplexInteractor(String identifier, String description, String stochiometry, String interactorType, - String organismName) { + String organismName, + List xrefs) { this.identifier = identifier; this.identifierLink = identifierLink; this.name = name; @@ -23,6 +26,7 @@ public ComplexInteractor(String identifier, this.stochiometry = stochiometry; this.interactorType = interactorType; this.organismName = organismName; + this.xrefs = xrefs; } /*********************************/ @@ -85,6 +89,14 @@ public void setOrganismName(String organismName) { this.organismName = organismName; } + public List getXrefs() { + return xrefs; + } + + public void setXrefs(List xrefs) { + this.xrefs = xrefs; + } + /********************************/ /* Private attributes */ /********************************/ @@ -96,4 +108,5 @@ public void setOrganismName(String organismName) { private String stochiometry = null; private String interactorType; private String organismName; + private List xrefs; } diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractorXref.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractorXref.java new file mode 100644 index 000000000..7df01def6 --- /dev/null +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/complex/ComplexInteractorXref.java @@ -0,0 +1,66 @@ +package uk.ac.ebi.intact.dataexchange.psimi.solr.complex; + +public class ComplexInteractorXref { + + /*************************/ + /* Constructors */ + /*************************/ + + public ComplexInteractorXref() { + } + + public ComplexInteractorXref(String identifier, + String identifierLink, + String database, + String qualifier) { + this.identifier = identifier; + this.identifierLink = identifierLink; + this.database = database; + this.qualifier = qualifier; + } + + /*********************************/ + /* Getters and Setters */ + /*********************************/ + + public String getIdentifier() { + return identifier; + } + + public void setIdentifier(String identifier) { + this.identifier = identifier; + } + + public String getIdentifierLink() { + return identifierLink; + } + + public void setIdentifierLink(String identifierLink) { + this.identifierLink = identifierLink; + } + + public String getDatabase() { + return database; + } + + public void setDatabase(String database) { + this.database = database; + } + + public String getQualifier() { + return qualifier; + } + + public void setQualifier(String qualifier) { + this.qualifier = qualifier; + } + + /********************************/ + /* Private attributes */ + /********************************/ + + private String identifier = null; + private String identifierLink = null; + private String database = null; + private String qualifier = null; +} diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java index 1a8418617..c0c551653 100644 --- a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java @@ -12,6 +12,7 @@ import uk.ac.ebi.intact.bridges.ontologies.term.OntologyTerm; import uk.ac.ebi.intact.dataexchange.psimi.solr.complex.ComplexFieldNames; import uk.ac.ebi.intact.dataexchange.psimi.solr.complex.ComplexInteractor; +import uk.ac.ebi.intact.dataexchange.psimi.solr.complex.ComplexInteractorXref; import uk.ac.ebi.intact.dataexchange.psimi.solr.ontology.OntologySearcher; import uk.ac.ebi.intact.dataexchange.psimi.solr.util.ComplexUtils; import uk.ac.ebi.intact.model.*; @@ -20,6 +21,7 @@ import java.io.IOException; import java.io.InputStream; import java.util.*; +import java.util.stream.Collectors; /** * Complex Field Enricher is such as Ontoly Field Enricher @@ -202,6 +204,14 @@ public void enrichSerialisedParticipant(Component participant, SolrInputDocument Interactor interactor = participant.getInteractor(); String identifier = ComplexUtils.getParticipantIdentifier(participant); + List xrefs = interactor.getXrefs().stream() + .map(xref -> new ComplexInteractorXref( + xref.getPrimaryId(), + ComplexUtils.getIdentifierLink(xref, xref.getPrimaryId()), + xref.getCvDatabase() != null ? xref.getCvDatabase().getShortLabel() : null, + xref.getCvXrefQualifier() != null ? xref.getCvXrefQualifier().getShortLabel() : null)) + .collect(Collectors.toList()); + ComplexInteractor complexInteractor = new ComplexInteractor( identifier, ComplexUtils.getParticipantIdentifierLink(participant, identifier), @@ -209,7 +219,8 @@ public void enrichSerialisedParticipant(Component participant, SolrInputDocument interactor.getFullName(), ComplexUtils.getParticipantStoichiometry(participant), interactor.getCvInteractorType().getFullName(), - findInteractorOrganismName(interactor)); + findInteractorOrganismName(interactor), + xrefs); String serialisedInteractor = mapper.writeValueAsString(complexInteractor); solrDocument.addField(ComplexFieldNames.SERIALISED_INTERACTION, serialisedInteractor); } diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/util/ComplexUtils.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/util/ComplexUtils.java index aad8cd0ef..0f4bed800 100644 --- a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/util/ComplexUtils.java +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/util/ComplexUtils.java @@ -59,6 +59,10 @@ public static String getParticipantIdentifier(Component participant) { public static String getParticipantIdentifierLink(Component participant, String identifier) { InteractorXref xref = getParticipantIdentifierXref(participant); + return getIdentifierLink(xref, identifier); + } + + public static String getIdentifierLink(InteractorXref xref, String identifier) { if (xref != null && xref.getParent() != null) { Annotation annot = AnnotatedObjectUtils.findAnnotationByTopicMiOrLabel(xref.getCvDatabase(), SEARCH_MI); if (annot == null) { diff --git a/psimi/psimitab/pom.xml b/psimi/psimitab/pom.xml index d0f4895f1..1c6be957e 100644 --- a/psimi/psimitab/pom.xml +++ b/psimi/psimitab/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange.psimi intact-psimi-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psixml/intact-jami-xml/pom.xml b/psimi/psixml/intact-jami-xml/pom.xml index cce169634..9c33a49b7 100644 --- a/psimi/psixml/intact-jami-xml/pom.xml +++ b/psimi/psixml/intact-jami-xml/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange.psimi intact-psixml - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-jami-xml diff --git a/psimi/psixml/intact-psixml-converters/pom.xml b/psimi/psixml/intact-psixml-converters/pom.xml index 599258646..492417902 100644 --- a/psimi/psixml/intact-psixml-converters/pom.xml +++ b/psimi/psixml/intact-psixml-converters/pom.xml @@ -4,7 +4,7 @@ intact-psixml uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psixml/intact-psixml-dbimporter/pom.xml b/psimi/psixml/intact-psixml-dbimporter/pom.xml index 8e38ae60c..977d5a259 100644 --- a/psimi/psixml/intact-psixml-dbimporter/pom.xml +++ b/psimi/psixml/intact-psixml-dbimporter/pom.xml @@ -6,7 +6,7 @@ intact-psixml uk.ac.ebi.intact.dataexchange.psimi - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-psixml-dbimporter diff --git a/psimi/psixml/intact-psixml-exchange/pom.xml b/psimi/psixml/intact-psixml-exchange/pom.xml index 830e2d10e..d5e00573c 100644 --- a/psimi/psixml/intact-psixml-exchange/pom.xml +++ b/psimi/psixml/intact-psixml-exchange/pom.xml @@ -3,7 +3,7 @@ uk.ac.ebi.intact.dataexchange.psimi intact-psixml - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/psimi/psixml/pom.xml b/psimi/psixml/pom.xml index 7c1472b27..7ae8dff8f 100644 --- a/psimi/psixml/pom.xml +++ b/psimi/psixml/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange.psimi intact-psimi-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT 4.0.0 diff --git a/structured-abstract/pom.xml b/structured-abstract/pom.xml index 0bd6ee7b2..2005f81e8 100644 --- a/structured-abstract/pom.xml +++ b/structured-abstract/pom.xml @@ -4,7 +4,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT structured-abstract From 58b7c79376b9aa2a8693b5bf0d7fe0b1a3b8854c Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Tue, 3 Sep 2024 13:02:23 +0100 Subject: [PATCH 39/62] TODO comment --- .../dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java | 1 + 1 file changed, 1 insertion(+) diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java index c0c551653..94423ed23 100644 --- a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java @@ -204,6 +204,7 @@ public void enrichSerialisedParticipant(Component participant, SolrInputDocument Interactor interactor = participant.getInteractor(); String identifier = ComplexUtils.getParticipantIdentifier(participant); + // TODO: filter, maybe by database, to not store all xrefs, only those we want (like panther) List xrefs = interactor.getXrefs().stream() .map(xref -> new ComplexInteractorXref( xref.getPrimaryId(), From 070b882add92a181c69d153215762b6c3b12236e Mon Sep 17 00:00:00 2001 From: Susie Date: Fri, 6 Sep 2024 16:25:48 +0100 Subject: [PATCH 40/62] already updated proteins not updated twice; --- .../ortholog/UpdatedProteinFileParser.java | 25 +++++++++++++++++++ .../ortholog/UpdatedProteinFileWriter.java | 20 +++++++++++++++ .../jobs/IntactProteinAndPantherReader.java | 8 +++++- .../jobs/ProteinCollectionWriter.java | 7 +++++- .../META-INF/orthology-import-spring.xml | 8 ++++++ .../META-INF/orthology-import.properties | 2 +- 6 files changed, 67 insertions(+), 3 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java new file mode 100644 index 000000000..6361b0ec6 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java @@ -0,0 +1,25 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.extern.log4j.Log4j; +import java.io.*; +import java.util.*; + + +@Log4j +public class UpdatedProteinFileParser { + public static Collection parseFile() { + Collection alreadyUpdatedProteins = new HashSet<>(); + log.info("Parsing already updated proteins file..."); + try (BufferedReader reader = new BufferedReader(new FileReader("UpdatedProteins.txt"))) { + String line; + while ((line = reader.readLine()) != null) { + alreadyUpdatedProteins.add(line); + } + } catch (IOException e) { + throw new RuntimeException(e); + } + log.info("File parsed."); + log.info("Number of proteins already updated: " + alreadyUpdatedProteins.size()); + return alreadyUpdatedProteins; + } +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java new file mode 100644 index 000000000..d35d57a7d --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java @@ -0,0 +1,20 @@ +package uk.ac.ebi.intact.ortholog; + +import java.io.BufferedWriter; +import java.io.FileWriter; + +public class UpdatedProteinFileWriter { + public static void updatedProteinWriter(String toWrite){ + try { + FileWriter fileWriter = new FileWriter("UpdatedProteins.txt", true); + BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); + bufferedWriter.write(toWrite); + bufferedWriter.newLine(); + bufferedWriter.close(); + } + catch (Exception e) { + e.getStackTrace(); + } + } +} + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 4baea3cea..fa0ffbb57 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -12,6 +12,7 @@ import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; +import uk.ac.ebi.intact.ortholog.UpdatedProteinFileParser; import java.io.IOException; import java.util.Collection; @@ -23,16 +24,18 @@ public class IntactProteinAndPantherReader implements ItemReader proteinIterator; @Override public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { + Collection alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); while (proteinIterator.hasNext()) { IntactProtein protein = proteinIterator.next(); Collection pantherIds = OrthologsProteinAssociation .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); - if (!pantherIds.isEmpty()) { + if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { return new ProteinAndPantherGroup(protein, pantherIds); } } @@ -47,9 +50,12 @@ public void open(ExecutionContext executionContext) throws ItemStreamException { // throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); // } + Collection allProteins = orthologsProteinAssociation.getIntactProtein(); + // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); + proteinIterator = allProteins.iterator(); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java index cc44bb4b3..882d88b14 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java @@ -7,13 +7,14 @@ import org.springframework.batch.item.ItemWriter; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.service.InteractorService; - +import uk.ac.ebi.intact.ortholog.UpdatedProteinFileWriter; import java.util.List; @RequiredArgsConstructor public class ProteinCollectionWriter implements ItemWriter, ItemStream { private final InteractorService interactorService; + private final UpdatedProteinFileWriter updatedProteinFileWriter; @Override public void open(ExecutionContext executionContext) throws ItemStreamException { @@ -33,5 +34,9 @@ public void close() throws ItemStreamException { @Override public void write(List items) throws Exception { interactorService.saveOrUpdate(items); + for (IntactProtein protein : items) { +// UpdatedProteinFileWriter.updatedProteinWriter(protein.getUniprotkb()); + UpdatedProteinFileWriter.updatedProteinWriter(protein.getUniprotkb()); + } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 62f9baef5..cff9de9ae 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -188,12 +188,20 @@ + + + + + + + + diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index f17cd4a42..ad8c71e9c 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -5,7 +5,7 @@ reportFile=orthologsReport.txt uncompressedPantherFilePath=orthologsData.txt #proteinPantherPairFilePath=ProteinAndOrthologPairs.txt urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz -proteinPantherPairDirPath=ProteinAndOrthologPairs +proteinPantherPairDirPath=/Users/susiehuget/Desktop/ProteinAndOrthologPairs ac.prefix=EBI \ No newline at end of file From 2de673fdbf5222b470ebf28f37fcaf979567d458 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 9 Sep 2024 16:50:13 +0100 Subject: [PATCH 41/62] Fixing memory issue --- intact-orthology-import/pom.xml | 19 +++++++++++++++---- .../intact/ortholog/OrthologsXrefWriter.java | 9 ++++++++- .../ortholog/UpdatedProteinFileParser.java | 14 ++++++++++++++ .../jobs/IntactProteinAndPantherReader.java | 10 +++++++--- .../META-INF/orthology-import-spring.xml | 9 ++++++++- 5 files changed, 52 insertions(+), 9 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 6a1dfebf5..0f48c83cb 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -40,10 +40,17 @@ java - -Xmx2024m - -Xms256m + + + + -Xmx2048m + -Xms512m + -XX:+HeapDumpOnOutOfMemoryError + + -XX:HeapDumpPath=/Users/susiehuget/IdeaProjects/intact-data-exchange/intact-orthology-import/heapdump.hprof + -classpath - + psidev.psi.mi.jami.batch.MIBatchJobManager classpath*:/META-INF/orthology-import-spring.xml ${job.name} @@ -58,7 +65,7 @@ - + psidev.psi.mi.jami @@ -123,5 +130,9 @@ 2.4 + + + + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 8960a5632..3b7c83d06 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -14,9 +14,16 @@ public class OrthologsXrefWriter { private final static String PANTHER_DATABASE_MI = "MI:0702"; + private final static String ORTHOLOGY_MI = "MI:2426"; private final Map cvTermMap = new HashMap<>(); private final IntactDao intactDao; + + @Override + public int hashCode() { + return Objects.hash(cvTermMap, intactDao); + } + public void addOrthologyXrefs(IntactProtein protein, Collection pantherIds) throws Exception{ for (String pantherId: pantherIds) { addOrthologyXref(protein, pantherId); @@ -32,7 +39,7 @@ public void addOrthologyXref(IntactProtein protein, String pantherId) throws Exc private InteractorXref newOrthologsXref(String id) throws Exception{ IntactCvTerm database = findCvTerm(IntactUtils.DATABASE_OBJCLASS, PANTHER_DATABASE_MI); - IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, Xref.SEE_ALSO_MI); + IntactCvTerm qualifier = findCvTerm(IntactUtils.QUALIFIER_OBJCLASS, ORTHOLOGY_MI); return new InteractorXref(database, id, qualifier); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java index 6361b0ec6..ecbf94ed0 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java @@ -22,4 +22,18 @@ public static Collection parseFile() { log.info("Number of proteins already updated: " + alreadyUpdatedProteins.size()); return alreadyUpdatedProteins; } + + public static boolean findProteinInFile(String proteinId){ + try (BufferedReader reader = new BufferedReader(new FileReader("UpdatedProteins.txt"))) { + String line; + while ((line = reader.readLine()) != null) { + if (line.contains(proteinId)) { + return true; + } + } + } catch (IOException e) { + throw new RuntimeException(e); + } + return false; + } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index fa0ffbb57..4b5e955a6 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -16,7 +16,9 @@ import java.io.IOException; import java.util.Collection; +import java.util.HashSet; import java.util.Iterator; +import java.util.Set; @RequiredArgsConstructor public class IntactProteinAndPantherReader implements ItemReader, ItemStream { @@ -27,15 +29,17 @@ public class IntactProteinAndPantherReader implements ItemReader proteinIterator; + private Collection alreadyUpdatedProteins; @Override - public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { - Collection alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); + public ProteinAndPantherGroup read() throws Exception{ while (proteinIterator.hasNext()) { IntactProtein protein = proteinIterator.next(); Collection pantherIds = OrthologsProteinAssociation .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); + System.out.println(protein.getUniprotkb()); if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { +// if (!pantherIds.isEmpty() && UpdatedProteinFileParser.findProteinInFile(protein.getUniprotkb())){ return new ProteinAndPantherGroup(protein, pantherIds); } } @@ -44,13 +48,13 @@ public ProteinAndPantherGroup read() throws Exception, UnexpectedInputException, @Override public void open(ExecutionContext executionContext) throws ItemStreamException { + alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); // try { // OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); // } catch (IOException e) { // throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); // } - Collection allProteins = orthologsProteinAssociation.getIntactProtein(); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index cff9de9ae..2a8aa79e8 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -37,11 +37,18 @@ - + + + + + + + + Date: Thu, 12 Sep 2024 12:18:28 +0100 Subject: [PATCH 42/62] Filter interactors xrefs to serialise and store in SOLR --- .../psimi/solr/enricher/ComplexSolrEnricher.java | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java index 94423ed23..0cad4ecc0 100644 --- a/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java +++ b/psimi/psimitab/intact-solr/src/main/java/uk/ac/ebi/intact/dataexchange/psimi/solr/enricher/ComplexSolrEnricher.java @@ -40,8 +40,12 @@ public class ComplexSolrEnricher extends AbstractOntologyEnricher{ private PsimiTabReader reader; private final ObjectMapper mapper; - private final static String EXP_EVIDENCE="exp-evidence"; - private final static String INTACT_SECONDARY="intact-secondary"; + private static final String EXP_EVIDENCE="exp-evidence"; + private static final String INTACT_SECONDARY="intact-secondary"; + + // Currently, we are only storing interactors xrefs from the following databases: + // - panther (MI:0702) + private static final Set INTERACTOR_XREF_DATABASE_MIS_TO_STORE = Set.of("MI:0702"); /*************************/ /* Constructor */ @@ -204,8 +208,9 @@ public void enrichSerialisedParticipant(Component participant, SolrInputDocument Interactor interactor = participant.getInteractor(); String identifier = ComplexUtils.getParticipantIdentifier(participant); - // TODO: filter, maybe by database, to not store all xrefs, only those we want (like panther) List xrefs = interactor.getXrefs().stream() + .filter(xref -> xref.getCvDatabase() != null) + .filter(xref -> INTERACTOR_XREF_DATABASE_MIS_TO_STORE.contains(xref.getCvDatabase().getIdentifier())) .map(xref -> new ComplexInteractorXref( xref.getPrimaryId(), ComplexUtils.getIdentifierLink(xref, xref.getPrimaryId()), From 371fbc84204d3ed50a733eb11d6969525870cfd7 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 12 Sep 2024 15:10:26 +0100 Subject: [PATCH 43/62] Parallellisation --- intact-orthology-import/pom.xml | 8 ++++---- .../ortholog/jobs/IntactProteinAndPantherReader.java | 2 +- .../ortholog/model/ProteinAndPantherGroup.java | 1 - .../resources/META-INF/orthology-import-spring.xml | 12 ++++++++++-- 4 files changed, 15 insertions(+), 8 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 0f48c83cb..3a67ed83d 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -40,11 +40,11 @@ java - - + -Xmx12288m + -Xms2048m - -Xmx2048m - -Xms512m + + -XX:+HeapDumpOnOutOfMemoryError -XX:HeapDumpPath=/Users/susiehuget/IdeaProjects/intact-data-exchange/intact-orthology-import/heapdump.hprof diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 4b5e955a6..514b01aaa 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -37,7 +37,7 @@ public ProteinAndPantherGroup read() throws Exception{ IntactProtein protein = proteinIterator.next(); Collection pantherIds = OrthologsProteinAssociation .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); - System.out.println(protein.getUniprotkb()); +// System.out.println(protein.getUniprotkb()); if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { // if (!pantherIds.isEmpty() && UpdatedProteinFileParser.findProteinInFile(protein.getUniprotkb())){ return new ProteinAndPantherGroup(protein, pantherIds); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java index 5b40174b5..bb7b6053b 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/model/ProteinAndPantherGroup.java @@ -7,7 +7,6 @@ @Value public class ProteinAndPantherGroup { - IntactProtein protein; Collection pantherIds; } \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 2a8aa79e8..1fe2817af 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -37,7 +37,7 @@ - + @@ -219,6 +219,10 @@ + + + + @@ -285,7 +289,11 @@ - + + + + + \ No newline at end of file From ff831578de97c2939a35a46d9122db2225113d83 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 12 Sep 2024 15:52:48 +0100 Subject: [PATCH 44/62] Updates to run on cluster --- intact-orthology-import/importOrtholgy.sh | 10 ++++++++ intact-orthology-import/pom.xml | 6 +++++ .../ortholog/OrthologsProteinAssociation.java | 23 ++++++++++--------- .../jobs/IntactProteinAndPantherReader.java | 11 +++++---- .../META-INF/orthology-import-spring.xml | 12 +++++----- .../META-INF/orthology-import.properties | 2 +- 6 files changed, 41 insertions(+), 23 deletions(-) diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh index 21cc5aee0..e27e6ac54 100755 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -1,5 +1,15 @@ #!/bin/bash +#SBATCH --time=02-00:00:00 # walltime +#SBATCH --ntasks=1 # number of tasks +#SBATCH --cpus-per-task=5 # number of CPUs Per Task i.e if your code is multi-threaded +#SBATCH -p research # partition(s) +#SBATCH --mem=12G # memory per node +#SBATCH -J "ORTHOLOG_IMPORT" # job name +#SBATCH -o "/nfs/production/hhe/intact/data/panther/logs/ortholog-import-%j.out" # job output file +#SBATCH --mail-type=ALL +#SBATCH --mail-user= susiehuget@ebi.ac.uk # email address + #if [ $# -ne 2 ]; then # echo "" # echo "ERROR: wrong number of parameters ($#)." diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 3a67ed83d..203d61635 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -129,6 +129,12 @@ commons-io 2.4 + + jakarta.persistence + jakarta.persistence-api + 2.2.3 + compile + diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 52d062eb8..f8b47a433 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -4,6 +4,7 @@ import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import javax.annotation.Resource; +import javax.persistence.Query; import java.io.*; import java.nio.file.Path; import java.util.*; @@ -26,18 +27,18 @@ public Collection getIntactProtein(){ return intactDao.getProteinDao().getAll(); } - // Method below is just for testing - - public Collection getFewIntactProtein() { - log.info("Fetching few Intact Proteins..."); - List fewIntactProteins = new ArrayList<>(); - List proteinsToFetch = Arrays.asList("P38153", "Q01217", "P38116", "P32449", "Q12406", "P43561", "P15646", "P43561", "P17710", "P19659"); + public List getProteinAcs() { + String sqlQuery = "select CAST(REPLACE(ac,'EBI-','') as integer) as numberAC from intact.ia_interactor p where category = 'protein' order by numberAC asc"; + Query query = intactDao.getEntityManager().createNativeQuery(sqlQuery); + return query.getResultList(); + } - var proteinDao = intactDao.getProteinDao(); - for (String proteinToFetch : proteinsToFetch) { - fewIntactProteins.addAll(proteinDao.getByXref(proteinToFetch)); - } - return fewIntactProteins; + public List fetchProteins(Integer startAc, Integer endAc) { + String sqlQuery = "select p.ac FROM IntactProtein p where p.category = 'protein' and CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; + Query query = intactDao.getEntityManager().createNativeQuery(sqlQuery); + query.setParameter("startAc", startAc); + query.setParameter("endAc", endAc); + return query.getResultList(); } public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 514b01aaa..d4a8ec7a3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -15,10 +15,7 @@ import uk.ac.ebi.intact.ortholog.UpdatedProteinFileParser; import java.io.IOException; -import java.util.Collection; -import java.util.HashSet; -import java.util.Iterator; -import java.util.Set; +import java.util.*; @RequiredArgsConstructor public class IntactProteinAndPantherReader implements ItemReader, ItemStream { @@ -55,7 +52,11 @@ public void open(ExecutionContext executionContext) throws ItemStreamException { // throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); // } - Collection allProteins = orthologsProteinAssociation.getIntactProtein(); +// Collection allProteins = orthologsProteinAssociation.getIntactProtein(); + + int startAc = executionContext.getInt("startAc"); + int endAc = executionContext.getInt("endAc"); + List allProteins = orthologsProteinAssociation.fetchProteins(startAc, endAc); // Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); // uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 1fe2817af..71ab80a67 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -42,12 +42,12 @@ - - - - - - + + + + + + Date: Thu, 12 Sep 2024 16:05:41 +0100 Subject: [PATCH 45/62] Update to run on cluster --- intact-orthology-import/importOrtholgy.sh | 1 + .../intact/ortholog/ProteinPartitioner.java | 57 +++++++++++++++++++ .../jobs/IntactProteinAndPantherReader.java | 12 +--- .../ortholog/jobs/OrthologsReaderTasklet.java | 14 ++++- .../META-INF/orthology-import-spring.xml | 1 + 5 files changed, 74 insertions(+), 11 deletions(-) create mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh index e27e6ac54..44652e5e0 100755 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -9,6 +9,7 @@ #SBATCH -o "/nfs/production/hhe/intact/data/panther/logs/ortholog-import-%j.out" # job output file #SBATCH --mail-type=ALL #SBATCH --mail-user= susiehuget@ebi.ac.uk # email address +export JAVA_HOME=/hps/software/users/hhe/intact/third-party-softwares/latest_intact_jdk11 #if [ $# -ne 2 ]; then # echo "" diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java new file mode 100644 index 000000000..85bb34d98 --- /dev/null +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -0,0 +1,57 @@ +package uk.ac.ebi.intact.ortholog; + +import lombok.extern.log4j.Log4j; +import org.springframework.batch.core.partition.support.Partitioner; +import org.springframework.batch.item.ExecutionContext; +import uk.ac.ebi.intact.jami.model.extension.IntactProtein; + +import java.util.Collection; +import java.util.HashMap; +import java.util.List; +import java.util.Map; + +@Log4j +public class ProteinPartitioner implements Partitioner { + + private final OrthologsProteinAssociation orthologsProteinAssociation; +// private final Collection intactProteins; + + public ProteinPartitioner(OrthologsProteinAssociation orthologsProteinAssociation) { + this.orthologsProteinAssociation = orthologsProteinAssociation; + } + + @Override + public Map partition(int partSize) { +// Collection intactProteins = orthologsProteinAssociation.getIntactProtein(); + + List proteinAcs = orthologsProteinAssociation.getProteinAcs(); + + log.info("Starting new partition"); + Map partitionMap = new HashMap(); + + int totalCount = proteinAcs.size(); + long targetSize=(long)Math.ceil((double)totalCount/partSize); + int startingIndex=0; + int endingIndex=99; + int number=0; + + + while(startingIndex<=(totalCount-1)){ + ExecutionContext ctxMap = new ExecutionContext(); + partitionMap.put("Thread:-"+number, ctxMap); + + if(endingIndex>=(totalCount-1)){ + endingIndex=(totalCount-1); + } + + ctxMap.putInt("startAc",proteinAcs.get((int)startingIndex)); + ctxMap.putInt("endAc",proteinAcs.get((int)endingIndex)); + startingIndex+= (int) targetSize; + endingIndex+= (int) targetSize; + + number++; + } + log.debug("END: Created Partitions of size: "+ partitionMap.size()); + return partitionMap; + } +} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index d4a8ec7a3..67ece3644 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -34,9 +34,8 @@ public ProteinAndPantherGroup read() throws Exception{ IntactProtein protein = proteinIterator.next(); Collection pantherIds = OrthologsProteinAssociation .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); -// System.out.println(protein.getUniprotkb()); - if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { -// if (!pantherIds.isEmpty() && UpdatedProteinFileParser.findProteinInFile(protein.getUniprotkb())){ +// if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { + if (!pantherIds.isEmpty()) { return new ProteinAndPantherGroup(protein, pantherIds); } } @@ -45,22 +44,17 @@ public ProteinAndPantherGroup read() throws Exception{ @Override public void open(ExecutionContext executionContext) throws ItemStreamException { - alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); +// alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); // try { // OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); // } catch (IOException e) { // throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); // } -// Collection allProteins = orthologsProteinAssociation.getIntactProtein(); - int startAc = executionContext.getInt("startAc"); int endAc = executionContext.getInt("endAc"); List allProteins = orthologsProteinAssociation.fetchProteins(startAc, endAc); -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); -// uniprotAndPantherIterator = uniprotAndPanther.entrySet().iterator(); - proteinIterator = allProteins.iterator(); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java index ffaf183de..eae46f442 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsReaderTasklet.java @@ -4,18 +4,28 @@ import org.springframework.batch.core.StepContribution; import org.springframework.batch.core.scope.context.ChunkContext; import org.springframework.batch.core.step.tasklet.Tasklet; +import org.springframework.batch.item.ItemStreamException; import org.springframework.batch.repeat.RepeatStatus; import uk.ac.ebi.intact.ortholog.OrthologsFileReader; +import uk.ac.ebi.intact.ortholog.OrthologsFileParser; + +import java.io.IOException; @RequiredArgsConstructor public class OrthologsReaderTasklet implements Tasklet { private final String urlPanther; private final String filePath; + private final String proteinPantherPairDirPath; @Override - public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext) throws Exception { -// OrthologsFileReader.decompressGzip(urlPanther, filePath); + public RepeatStatus execute(StepContribution contribution, ChunkContext chunkContext ) throws Exception { + OrthologsFileReader.decompressGzip(urlPanther, filePath); + try { + OrthologsFileParser.parseFileAndSave(filePath, proteinPantherPairDirPath); + } catch (IOException e) { + throw new ItemStreamException("Error parsing the file: " + filePath, e); + } return RepeatStatus.FINISHED; } } diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 71ab80a67..e146e41ab 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -182,6 +182,7 @@ + From 1b1e86793b49efc514ff40699d60e460f866880a Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 12 Sep 2024 16:11:41 +0100 Subject: [PATCH 46/62] Update to run on cluster --- intact-orthology-import/importOrtholgy.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh index 44652e5e0..85b82f261 100755 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -8,7 +8,7 @@ #SBATCH -J "ORTHOLOG_IMPORT" # job name #SBATCH -o "/nfs/production/hhe/intact/data/panther/logs/ortholog-import-%j.out" # job output file #SBATCH --mail-type=ALL -#SBATCH --mail-user= susiehuget@ebi.ac.uk # email address +#SBATCH --mail-user=susiehuget@ebi.ac.uk # email address export JAVA_HOME=/hps/software/users/hhe/intact/third-party-softwares/latest_intact_jdk11 #if [ $# -ne 2 ]; then From db6bba402af1324a69f0b6232e2b0bd21b91686f Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 12 Sep 2024 16:22:45 +0100 Subject: [PATCH 47/62] Update to run on cluster --- intact-orthology-import/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 203d61635..b29a32ecd 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -8,7 +8,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.0.2-SNAPSHOT + 4.1.0-SNAPSHOT intact-orthology-import From 2fda9c9956dc3fa7d0fa3a8f7d164fd2c90e3893 Mon Sep 17 00:00:00 2001 From: Susie Date: Thu, 12 Sep 2024 16:45:32 +0100 Subject: [PATCH 48/62] Update to run on cluster --- .../src/main/resources/META-INF/orthology-import.properties | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index dbe22180e..3df62f51f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -2,10 +2,10 @@ jami.user.context.id=ORTHOLOG_IMPORTER reportFile=orthologsReport.txt #filePath=orthologsData.txt -uncompressedPantherFilePath=orthologsData.txt +uncompressedPantherFilePath=/nfs/production/hhe/intact/data/panther/orthologsData.txt #proteinPantherPairFilePath=ProteinAndOrthologPairs.txt urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz -proteinPantherPairDirPath=/nfs/production/hhe/intact/data/panther +proteinPantherPairDirPath=/nfs/production/hhe/intact/data/panther/data ac.prefix=EBI \ No newline at end of file From 10f0d82b1cb63b4aec56d1dd54f85cd51e40fdb8 Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 11:47:40 +0100 Subject: [PATCH 49/62] Use map to reduce duplicates --- intact-orthology-import/importOrtholgy.sh | 2 +- .../intact/ortholog/OrthologsFileParser.java | 33 +++++++++++++++++-- 2 files changed, 31 insertions(+), 4 deletions(-) diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh index 85b82f261..b41736287 100755 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -4,7 +4,7 @@ #SBATCH --ntasks=1 # number of tasks #SBATCH --cpus-per-task=5 # number of CPUs Per Task i.e if your code is multi-threaded #SBATCH -p research # partition(s) -#SBATCH --mem=12G # memory per node +#SBATCH --mem=32G # memory per node #SBATCH -J "ORTHOLOG_IMPORT" # job name #SBATCH -o "/nfs/production/hhe/intact/data/panther/logs/ortholog-import-%j.out" # job output file #SBATCH --mail-type=ALL diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index e60d8628c..0f8db8195 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -7,7 +7,9 @@ import java.nio.file.Path; import java.util.ArrayList; import java.util.HashMap; +import java.util.HashSet; import java.util.Map; +import java.util.Set; import java.util.regex.Matcher; import java.util.regex.Pattern; @@ -48,7 +50,6 @@ public static Map parseFile(String filePath) { public static void parseFileAndSave(String inputFilePath, String outputDirPath) throws IOException { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); - long uniprotAndPantherCount = 0; log.info("Parsing file..."); File outputDir = new File(outputDirPath); @@ -57,11 +58,15 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) FileUtils.deleteDirectory(outputDir); } outputDir.mkdirs(); + long linesRead = 0; + // First we store all matches in a map to ensure there's no duplication + Map> uniprotAndPTHR = new HashMap<>(); try (BufferedReader reader = new BufferedReader(new FileReader(inputFilePath))) { String line; while ((line = reader.readLine()) != null) { + linesRead++; ArrayList uniprotMatches = new ArrayList<>(); Matcher uniprotMatcher = uniprotKBRegex.matcher(line); @@ -72,14 +77,36 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) } while (pantherMatcher.find()) { for (String uniprotMatch : uniprotMatches) { - writePair(outputDir.toPath(), uniprotMatch, pantherMatcher.group()); - uniprotAndPantherCount += uniprotMatches.size(); + uniprotAndPTHR.putIfAbsent(uniprotMatch, new HashSet<>()); + uniprotAndPTHR.get(uniprotMatch).add(pantherMatcher.group()); +// writePair(outputDir.toPath(), uniprotMatch, pantherMatcher.group()); } } + + if (linesRead % 10_000 == 0) { + log.info(linesRead + " lines read, " + uniprotAndPTHR.size() + " proteins read"); + } } } + log.info(linesRead + " lines read, " + uniprotAndPTHR.size() + " proteins read"); log.info("File parsed."); + + log.info("Saving map to files..."); + + // Then, we write all the files + long uniprotAndPantherCount = 0; + for (String uniprotMatch : uniprotAndPTHR.keySet()) { + for (String pantherMatch : uniprotAndPTHR.get(uniprotMatch)) { + writePair(outputDir.toPath(), uniprotMatch, pantherMatch); + } + uniprotAndPantherCount += uniprotAndPTHR.get(uniprotMatch).size(); + if (uniprotAndPantherCount % 10_000 == 0) { + log.info(uniprotAndPantherCount + " proteins saved"); + } + } + + log.info("All protein files saved."); log.info("Number of Panther identifiers: " + uniprotAndPantherCount); } From 2abd9b50d1ec43bca9939909ceaff2c16be6b170 Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 12:41:43 +0100 Subject: [PATCH 50/62] Update logging --- .../java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 0f8db8195..07e5eaa9d 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -79,11 +79,10 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) for (String uniprotMatch : uniprotMatches) { uniprotAndPTHR.putIfAbsent(uniprotMatch, new HashSet<>()); uniprotAndPTHR.get(uniprotMatch).add(pantherMatcher.group()); -// writePair(outputDir.toPath(), uniprotMatch, pantherMatcher.group()); } } - if (linesRead % 10_000 == 0) { + if (linesRead % 250_000 == 0) { log.info(linesRead + " lines read, " + uniprotAndPTHR.size() + " proteins read"); } } @@ -101,7 +100,7 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) writePair(outputDir.toPath(), uniprotMatch, pantherMatch); } uniprotAndPantherCount += uniprotAndPTHR.get(uniprotMatch).size(); - if (uniprotAndPantherCount % 10_000 == 0) { + if (uniprotAndPantherCount % 25_000 == 0) { log.info(uniprotAndPantherCount + " proteins saved"); } } From 75379d67f93775da360c98868aceda9e86888612 Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 13:06:17 +0100 Subject: [PATCH 51/62] Update step using partition --- .../src/main/resources/META-INF/orthology-import-spring.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index e146e41ab..8e2665c03 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -290,7 +290,7 @@ - + From bbe4a92ecf3f026789ad6130d60214c54c942ec7 Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 13:14:05 +0100 Subject: [PATCH 52/62] Fix entity manager method used --- .../uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index f8b47a433..04fcbf339 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -35,7 +35,7 @@ public List getProteinAcs() { public List fetchProteins(Integer startAc, Integer endAc) { String sqlQuery = "select p.ac FROM IntactProtein p where p.category = 'protein' and CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; - Query query = intactDao.getEntityManager().createNativeQuery(sqlQuery); + Query query = intactDao.getEntityManager().createQuery(sqlQuery); query.setParameter("startAc", startAc); query.setParameter("endAc", endAc); return query.getResultList(); From 66e7196073d70a54fb59dc67cd3b4cb621a1a760 Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 13:16:07 +0100 Subject: [PATCH 53/62] Fix query --- .../uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 04fcbf339..ede772752 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -34,7 +34,7 @@ public List getProteinAcs() { } public List fetchProteins(Integer startAc, Integer endAc) { - String sqlQuery = "select p.ac FROM IntactProtein p where p.category = 'protein' and CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; + String sqlQuery = "select p.ac FROM IntactProtein p where CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; Query query = intactDao.getEntityManager().createQuery(sqlQuery); query.setParameter("startAc", startAc); query.setParameter("endAc", endAc); From 8c5c968ef27918ef30d56d0b35b667efd694868a Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 13:17:55 +0100 Subject: [PATCH 54/62] Fix query --- .../uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index ede772752..6012f10e8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -34,7 +34,7 @@ public List getProteinAcs() { } public List fetchProteins(Integer startAc, Integer endAc) { - String sqlQuery = "select p.ac FROM IntactProtein p where CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; + String sqlQuery = "select p FROM IntactProtein p where CAST(REPLACE(ac,'EBI-','') as integer) BETWEEN :startAc and :endAc"; Query query = intactDao.getEntityManager().createQuery(sqlQuery); query.setParameter("startAc", startAc); query.setParameter("endAc", endAc); From e7f7ee5a6c2f083c68cf7aca165fa41d4c59f5df Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 14:16:11 +0100 Subject: [PATCH 55/62] Extra logging --- .../java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java | 4 ++-- .../intact/ortholog/jobs/IntactProteinAndPantherReader.java | 3 +++ 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java index 85bb34d98..3df81f991 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -32,7 +32,7 @@ public Map partition(int partSize) { int totalCount = proteinAcs.size(); long targetSize=(long)Math.ceil((double)totalCount/partSize); int startingIndex=0; - int endingIndex=99; + int endingIndex= (int) targetSize; int number=0; @@ -45,7 +45,7 @@ public Map partition(int partSize) { } ctxMap.putInt("startAc",proteinAcs.get((int)startingIndex)); - ctxMap.putInt("endAc",proteinAcs.get((int)endingIndex)); + ctxMap.putInt("endAc",proteinAcs.get((int)endingIndex - 1)); startingIndex+= (int) targetSize; endingIndex+= (int) targetSize; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 67ece3644..51f4af961 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -1,6 +1,7 @@ package uk.ac.ebi.intact.ortholog.jobs; import lombok.RequiredArgsConstructor; +import lombok.extern.log4j.Log4j; import org.springframework.batch.item.ExecutionContext; import org.springframework.batch.item.ItemReader; import org.springframework.batch.item.ItemStream; @@ -17,6 +18,7 @@ import java.io.IOException; import java.util.*; +@Log4j @RequiredArgsConstructor public class IntactProteinAndPantherReader implements ItemReader, ItemStream { @@ -54,6 +56,7 @@ public void open(ExecutionContext executionContext) throws ItemStreamException { int startAc = executionContext.getInt("startAc"); int endAc = executionContext.getInt("endAc"); List allProteins = orthologsProteinAssociation.fetchProteins(startAc, endAc); + log.info("Reading " + allProteins.size() + " proteins"); proteinIterator = allProteins.iterator(); } From 6b90e1f634c723eefa4e61f4e4dd83632c6c785e Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 14:18:45 +0100 Subject: [PATCH 56/62] Update logging --- .../java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java index 3df81f991..205bbd8c8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -26,7 +26,8 @@ public Map partition(int partSize) { List proteinAcs = orthologsProteinAssociation.getProteinAcs(); - log.info("Starting new partition"); + log.info("Starting new partitions"); + log.info("Number of partitions: " + partSize); Map partitionMap = new HashMap(); int totalCount = proteinAcs.size(); @@ -35,6 +36,7 @@ public Map partition(int partSize) { int endingIndex= (int) targetSize; int number=0; + log.info("Proteins per partitions: " + targetSize); while(startingIndex<=(totalCount-1)){ ExecutionContext ctxMap = new ExecutionContext(); From 7a62a0761afe6d220385956da0fe405ba7850dfd Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 14:39:47 +0100 Subject: [PATCH 57/62] Small improvements on partitions --- .../intact/ortholog/ProteinPartitioner.java | 36 +++++++++---------- 1 file changed, 17 insertions(+), 19 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java index 205bbd8c8..20c7e4fc1 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -3,9 +3,7 @@ import lombok.extern.log4j.Log4j; import org.springframework.batch.core.partition.support.Partitioner; import org.springframework.batch.item.ExecutionContext; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import java.util.Collection; import java.util.HashMap; import java.util.List; import java.util.Map; @@ -14,7 +12,6 @@ public class ProteinPartitioner implements Partitioner { private final OrthologsProteinAssociation orthologsProteinAssociation; -// private final Collection intactProteins; public ProteinPartitioner(OrthologsProteinAssociation orthologsProteinAssociation) { this.orthologsProteinAssociation = orthologsProteinAssociation; @@ -22,38 +19,39 @@ public ProteinPartitioner(OrthologsProteinAssociation orthologsProteinAssociatio @Override public Map partition(int partSize) { -// Collection intactProteins = orthologsProteinAssociation.getIntactProtein(); - List proteinAcs = orthologsProteinAssociation.getProteinAcs(); log.info("Starting new partitions"); log.info("Number of partitions: " + partSize); - Map partitionMap = new HashMap(); + Map partitionMap = new HashMap<>(); int totalCount = proteinAcs.size(); - long targetSize=(long)Math.ceil((double)totalCount/partSize); - int startingIndex=0; - int endingIndex= (int) targetSize; - int number=0; + int targetSize = (int) Math.ceil((double) totalCount / partSize); + int startingIndex = 0; + int endingIndex = targetSize; + int number = 0; log.info("Proteins per partitions: " + targetSize); - while(startingIndex<=(totalCount-1)){ + while (startingIndex < totalCount) { ExecutionContext ctxMap = new ExecutionContext(); - partitionMap.put("Thread:-"+number, ctxMap); + partitionMap.put("Thread:-" + number, ctxMap); - if(endingIndex>=(totalCount-1)){ - endingIndex=(totalCount-1); + if (endingIndex > totalCount) { + endingIndex = totalCount; } - ctxMap.putInt("startAc",proteinAcs.get((int)startingIndex)); - ctxMap.putInt("endAc",proteinAcs.get((int)endingIndex - 1)); - startingIndex+= (int) targetSize; - endingIndex+= (int) targetSize; + ctxMap.putInt("startAc", proteinAcs.get(startingIndex)); + ctxMap.putInt("endAc", proteinAcs.get(endingIndex - 1)); + + // Next start index is the previous end index + // Next end index is increased by target size (number of proteins per partition) + startingIndex = endingIndex; + endingIndex += targetSize; number++; } - log.debug("END: Created Partitions of size: "+ partitionMap.size()); + log.info("END: Created " + partitionMap.size() + " partitions"); return partitionMap; } } From c9e3025f95763f83f187bd5a6c6ae0058f3985bd Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Fri, 13 Sep 2024 15:01:19 +0100 Subject: [PATCH 58/62] Simplify partitioner --- .../java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java | 4 ---- 1 file changed, 4 deletions(-) diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java index 20c7e4fc1..c7ecca4c3 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -37,10 +37,6 @@ public Map partition(int partSize) { ExecutionContext ctxMap = new ExecutionContext(); partitionMap.put("Thread:-" + number, ctxMap); - if (endingIndex > totalCount) { - endingIndex = totalCount; - } - ctxMap.putInt("startAc", proteinAcs.get(startingIndex)); ctxMap.putInt("endAc", proteinAcs.get(endingIndex - 1)); From 8b8092c5a183a84ed3feb1f1654a65cd5f235713 Mon Sep 17 00:00:00 2001 From: Susie Date: Mon, 16 Sep 2024 16:46:53 +0100 Subject: [PATCH 59/62] Cleaning before prod launching --- intact-orthology-import/pom.xml | 5 - intact-orthology-import/proteinAndPanther.txt | 29818 ---------------- .../intact/ortholog/OrthologsFileParser.java | 32 - .../ebi/intact/ortholog/OrthologsManager.java | 64 - .../ortholog/OrthologsProteinAssociation.java | 122 - .../intact/ortholog/OrthologsXrefWriter.java | 2 - .../intact/ortholog/ProteinPartitioner.java | 6 +- .../ortholog/UpdatedProteinFileParser.java | 39 - .../ortholog/UpdatedProteinFileWriter.java | 20 - .../jobs/IntactProteinAndPantherReader.java | 20 - .../jobs/IntactProteinAndPantherWriter.java | 64 - .../ortholog/jobs/OrthologsItemProcessor.java | 39 - .../ortholog/jobs/OrthologsItemReader.java | 53 - .../jobs/ProteinCollectionWriter.java | 6 - .../META-INF/orthology-import-spring.xml | 61 +- .../META-INF/orthology-import.properties | 6 - orthologsReport.txt | 0 17 files changed, 7 insertions(+), 30350 deletions(-) delete mode 100644 intact-orthology-import/proteinAndPanther.txt delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java delete mode 100644 intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java delete mode 100644 orthologsReport.txt diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index b29a32ecd..3df0f981b 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -135,10 +135,5 @@ 2.2.3 compile - - - - - diff --git a/intact-orthology-import/proteinAndPanther.txt b/intact-orthology-import/proteinAndPanther.txt deleted file mode 100644 index 312fe8814..000000000 --- a/intact-orthology-import/proteinAndPanther.txt +++ /dev/null @@ -1,29818 +0,0 @@ -P38084,PTHR43341,1,4 - -P41815,PTHR43341,2,5 - -P22035,PTHR45614,3,6 - -P38891,PTHR11825,4,9 - -P47176,PTHR11825,5,10 - -Q01389,PTHR48016,6,11 - -P32839,PTHR23070,7,13 - -P35817,PTHR22880,8,14 - -P39714,PTHR43161,9,15 - -P29366,PTHR15706,10,16 - -P39960,PTHR23176,11,17 - -P32873,PTHR23176,12,18 - -P39011,PTHR10957,13,19 - -P22804,PTHR12791,14,20 - -P20133,PTHR11774,15,21 - -P36149,PTHR13048,16,22 - -Q00618,PTHR11129,17,23 - -Q03630,PTHR23249,18,24 - -P47113,PTHR35140,19,25 - -P38934,PTHR31027,20,26 - -P15703,PTHR16631,21,27 - -P11709,PTHR18916,22,28 - -P40013,PTHR10623,23,29 - -P53744,PTHR45649,24,30 - -P50277,PTHR42684,25,31 - -P53630,PTHR43210,26,32 - -P47134,PTHR46771,27,33 - -Q01532,PTHR10363,28,34 - -P29311,PTHR18860,29,35 - -P34730,PTHR18860,30,36 - -Q08965,PTHR12858,31,37 - -P41832,PTHR47102,32,38 - -P53858,PTHR12751,33,39 - -P38041,PTHR22902,34,40 - -P39969,PTHR22902,35,41 - -P25385,PTHR21230,36,42 - -P48445,PTHR12835,37,43 - -P14772,PTHR24223,38,44 - -P48582,PTHR23030,39,45 - -Q08235,PTHR13634,40,46 - -P38356,PTHR13396,41,47 - -P47040,PTHR10981,42,48 - -P40314,PTHR10351,43,50 - -P53323,PTHR12209,44,51 - -P41695,PTHR14030,45,52 - -P26448,PTHR22957,46,53 - -P26449,PTHR10971,47,54 - -P33314,PTHR10194,48,55 - -P47136,PTHR36100,49,57 - -P25300,PTHR23113,50,58 - -P41697,PTHR22741,51,59 - -P48524,PTHR31904,52,61 - -P38822,PTHR15735,53,62 - -P07245,PTHR48099,54,63 - -P09440,PTHR48099,55,64 - -Q12495,PTHR15272,56,65 - -Q04199,PTHR15271,57,66 - -P80235,PTHR22589,58,67 - -P32796,PTHR22589,59,68 - -P24813,PTHR40621,60,69 - -P39101,PTHR45006,61,70 - -P43568,PTHR24056,62,71 - -P18898,PTHR11774,63,72 - -P25296,PTHR45942,64,73 - -P06787,PTHR23050,65,74 - -P27825,PTHR11073,66,75 - -P13711,PTHR10909,67,76 - -P28495,PTHR10653,68,77 - -P13517,PTHR10619,69,78 - -P17555,PTHR10652,70,79 - -P07258,PTHR11405,71,80 - -P03965,PTHR11405,72,81 - -Q03338,PTHR14212,73,82 - -Q00578,PTHR11274,74,83 - -P51998,PTHR10746,75,85 - -P40341,PTHR43655,76,86 - -P38206,PTHR13117,77,87 - -P53131,PTHR18934,78,88 - -P38852,PTHR13138,79,89 - -Q06411,PTHR23329,80,90 - -Q08963,PTHR10552,81,91 - -P39682,PTHR17204,82,92 - -P40204,PTHR10553,83,94 - -Q07508,PTHR12375,84,96 - -P32605,PTHR10501,85,97 - -P33203,PTHR11864,86,98 - -Q00916,PTHR13952,87,99 - -Q05900,PTHR31148,88,101 - -P47130,PTHR12732,89,102 - -Q03776,PTHR17204,90,104 - -Q00723,PTHR23142,91,105 - -Q92918,PTHR48012,92,106 - -P46108,PTHR19969,93,107 - -P21127,PTHR24056,94,110 - -P08575,PTHR19134,95,111 - -Q9Y4K4,PTHR48012,96,112 - -P06239,PTHR24418,97,113 - -Q07666,PTHR11208,98,114 - -P38753,PTHR45929,99,115 - -P06240,PTHR24418,100,117 - -P06332,PTHR11422,101,118 - -P01731,PTHR10441,102,119 - -Q9QXK9,PTHR14388,103,120 - -Q64697,PTHR15312,104,121 - -P06800,PTHR19134,105,122 - -Q60631,PTHR46037,106,123 - -Q62245,PTHR23113,107,124 - -P27870,PTHR45818,108,125 - -P53859,PTHR12686,109,127 - -Q08162,PTHR23355,110,128 - -P48240,PTHR11953,111,129 - -P38792,PTHR21321,112,130 - -Q12277,PTHR11097,113,131 - -P25359,PTHR11097,114,132 - -Q12149,PTHR12124,115,133 - -P46948,PTHR11953,116,134 - -Q02821,PTHR23316,117,135 - -P40579,PTHR43008,118,136 - -Q05636,PTHR11097,119,137 - -Q04217,PTHR18934,120,138 - -Q08285,PTHR21321,121,139 - -P53256,PTHR11953,122,140 - -P35207,PTHR12131,123,141 - -P17883,PTHR15704,124,142 - -P35194,PTHR17695,125,143 - -P53254,PTHR17972,126,144 - -P42945,PTHR13457,127,145 - -P38801,PTHR15341,128,146 - -P38903,PTHR10257,129,147 - -P31383,PTHR10648,130,148 - -Q00362,PTHR11871,131,149 - -P47096,PTHR15497,132,150 - -P40433,PTHR10606,133,151 - -Q12471,PTHR10606,134,152 - -P38720,PTHR11811,135,153 - -P53319,PTHR11811,136,154 - -P25612,PTHR43364,137,155 - -Q07747,PTHR43364,138,156 - -P42884,PTHR43364,139,158 - -P37898,PTHR11533,140,159 - -P23542,PTHR11879,141,160 - -Q01802,PTHR11879,142,161 - -P27697,PTHR43851,143,162 - -P32783,PTHR12189,144,163 - -Q02486,PTHR48112,145,164 - -P15891,PTHR10829,146,165 - -Q08641,PTHR22809,147,166 - -P40535,PTHR19304,148,167 - -P31787,PTHR23310,149,168 - -P15315,PTHR28088,150,169 - -P21192,PTHR19818,151,170 - -P28240,PTHR21631,152,171 - -Q12031,PTHR21631,153,172 - -P32316,PTHR43609,154,173 - -P21147,PTHR11351,155,174 - -P19414,PTHR43160,156,175 - -P39533,PTHR43160,157,176 - -P32463,PTHR20863,158,177 - -Q06597,PTHR10828,159,178 - -Q06598,PTHR43057,160,179 - -Q01574,PTHR24095,161,180 - -P60010,PTHR11937,162,181 - -P38065,PTHR22780,163,182 - -Q02336,PTHR12374,164,183 - -P32494,PTHR13556,165,184 - -P53909,PTHR43114,166,185 - -P27351,PTHR11134,167,186 - -P36000,PTHR11134,168,187 - -P46682,PTHR11134,169,188 - -P00330,PTHR42940,170,189 - -P00331,PTHR42940,171,190 - -P07246,PTHR42940,172,191 - -P10127,PTHR11496,173,192 - -P38113,PTHR42940,174,193 - -P47143,PTHR45769,175,194 - -P25371,PTHR48041,176,195 - -P53905,PTHR10553,177,196 - -P07260,PTHR11960,178,197 - -P39517,PTHR47960,179,198 - -Q06819,PTHR12052,180,199 - -P47017,PTHR15588,181,200 - -P38203,PTHR13829,182,201 - -P40070,PTHR23338,183,202 - -Q06406,PTHR11021,184,203 - -P49960,PTHR24012,185,204 - -P20053,PTHR19846,186,205 - -P19735,PTHR11246,187,206 - -Q12368,PTHR45986,188,207 - -Q12420,PTHR14152,189,208 - -P53550,PTHR23114,190,209 - -Q07418,PTHR12774,191,211 - -Q12377,PTHR10678,192,212 - -P47093,PTHR15588,193,213 - -P07244,PTHR10520,194,214 - -P15442,PTHR11042,195,215 - -P32357,PTHR12689,196,216 - -P49704,PTHR13904,197,217 - -Q06078,PTHR22840,198,218 - -P25626,PTHR15680,199,219 - -P12687,PTHR15893,200,220 - -P36527,PTHR39150,201,221 - -P36516,PTHR11207,202,222 - -Q06678,PTHR11362,203,223 - -P35996,PTHR11761,204,224 - -P36517,PTHR21183,205,225 - -P22353,PTHR14413,206,226 - -P33759,PTHR13718,207,227 - -P32375,PTHR43668,208,228 - -P54783,PTHR43762,209,229 - -P38971,PTHR43341,210,230 - -Q08269,PTHR21535,211,231 - -P43553,PTHR21535,212,232 - -P15274,PTHR11359,213,233 - -P38174,PTHR45777,214,234 - -P14904,PTHR28570,215,235 - -P08019,PTHR31616,216,236 - -P53068,PTHR12936,217,238 - -Q00381,PTHR11753,218,239 - -P35181,PTHR11753,219,240 - -P47064,PTHR11753,220,241 - -Q00776,PTHR10529,221,242 - -P16550,PTHR42746,222,243 - -P22108,PTHR42746,223,244 - -P32454,PTHR11533,224,245 - -P37302,PTHR12147,225,246 - -P53104,PTHR24348,226,247 - -Q12380,PTHR13040,227,248 - -Q02948,PTHR12768,228,249 - -P38862,PTHR10953,229,250 - -P38182,PTHR10969,230,251 - -P38316,PTHR13385,231,252 - -P38700,PTHR10529,232,254 - -P38153,PTHR10529,233,255 - -Q99186,PTHR10529,234,256 - -P22936,PTHR21445,235,257 - -P38207,PTHR22748,236,258 - -P49435,PTHR32315,237,259 - -P36973,PTHR32315,238,260 - -P40518,PTHR12644,239,262 - -P33204,PTHR22629,240,263 - -Q05933,PTHR12391,241,264 - -P53731,PTHR12058,242,265 - -P38328,PTHR10709,243,266 - -Q01217,PTHR23342,244,267 - -P38115,PTHR11732,245,268 - -P07347,PTHR23091,246,269 - -P25628,PTHR10408,247,270 - -P53629,PTHR10408,248,271 - -P11076,PTHR11711,249,272 - -P19146,PTHR11711,250,273 - -P40994,PTHR11711,251,274 - -P05085,PTHR31069,252,276 - -P07250,PTHR12400,253,277 - -P00812,PTHR43782,254,278 - -P38116,PTHR11711,255,279 - -P04076,PTHR43814,256,280 - -P08566,PTHR21090,257,281 - -P38840,PTHR42790,258,282 - -P28777,PTHR21085,259,283 - -P14843,PTHR21225,260,284 - -P32449,PTHR21225,261,285 - -P38696,PTHR11937,262,286 - -P47117,PTHR11937,263,287 - -P80428,PTHR11937,264,288 - -P53946,PTHR11937,265,289 - -Q12509,PTHR11937,266,290 - -Q12406,PTHR11937,267,291 - -Q12386,PTHR11937,268,292 - -Q05123,PTHR11937,269,293 - -Q12154,PTHR10803,270,295 - -P48361,PTHR31941,271,296 - -P32447,PTHR12040,272,297 - -P38986,PTHR43828,273,299 - -Q05166,PTHR21527,274,302 - -P49089,PTHR11772,275,303 - -P49090,PTHR11772,276,304 - -P22768,PTHR11587,277,305 - -P35183,PTHR43482,278,306 - -P39945,PTHR43482,279,307 - -Q12349,PTHR28207,280,308 - -P13586,PTHR42861,281,309 - -P38929,PTHR24093,282,310 - -P39524,PTHR24092,283,311 - -Q12675,PTHR24092,284,312 - -P32660,PTHR24092,285,313 - -P39986,PTHR45630,286,314 - -P40527,PTHR24092,287,315 - -Q12674,PTHR24092,288,316 - -P16639,PTHR21367,289,317 - -P40353,PTHR28037,290,318 - -P53296,PTHR28037,291,319 - -P48016,PTHR11051,292,320 - -P40416,PTHR24221,293,321 - -P13587,PTHR42861,294,322 - -Q12691,PTHR42861,295,323 - -P30902,PTHR12700,296,324 - -P00856,PTHR36101,297,325 - -Q9FY48,PTHR46960,298,326 - -P07251,PTHR48082,299,327 - -P00830,PTHR15184,300,328 - -P21306,PTHR12448,301,329 - -P38077,PTHR11693,302,330 - -Q06405,PTHR28161,303,331 - -Q12233,PTHR12386,304,332 - -P09457,PTHR11910,305,333 - -P32453,PTHR13126,306,334 - -P22135,PTHR21013,307,335 - -P18496,PTHR28106,308,337 - -P13090,PTHR42718,309,338 - -P38360,PTHR46594,310,339 - -Q12067,PTHR11040,311,340 - -P40344,PTHR12866,312,341 - -P06634,PTHR47958,313,342 - -P47089,PTHR12789,314,343 - -P31385,PTHR21964,315,344 - -P38307,PTHR11009,316,345 - -P47771,PTHR43720,317,346 - -P46367,PTHR11699,318,347 - -P40047,PTHR11699,319,348 - -P54115,PTHR11699,320,349 - -P20437,PTHR10177,321,350 - -P20438,PTHR10177,322,351 - -P13365,PTHR10177,323,352 - -P24867,PTHR15615,324,353 - -P25693,PTHR15615,325,354 - -P38794,PTHR15615,326,355 - -P24868,PTHR10177,327,356 - -P24869,PTHR10177,328,357 - -P24870,PTHR10177,329,358 - -P24871,PTHR10177,330,359 - -P40362,PTHR18359,331,360 - -P30283,PTHR10177,332,361 - -P38910,PTHR10772,333,362 - -P49956,PTHR23389,334,363 - -P43634,PTHR31313,335,364 - -P32657,PTHR45623,336,365 - -P38147,PTHR43895,337,366 - -P22516,PTHR11472,338,367 - -P32178,PTHR21145,339,369 - -P08004,PTHR22914,340,370 - -P14180,PTHR22914,341,371 - -P29465,PTHR22914,342,372 - -Q12114,PTHR47351,343,373 - -P40955,PTHR31975,344,374 - -P40987,PTHR12658,345,376 - -P46670,PTHR15139,346,377 - -P39110,PTHR45697,347,378 - -P27895,PTHR47970,348,380 - -P47001,PTHR47254,349,381 - -P43635,PTHR11739,350,382 - -P00890,PTHR11739,351,383 - -P08679,PTHR11739,352,384 - -P23291,PTHR11909,353,385 - -P23292,PTHR11909,354,386 - -P39962,PTHR11909,355,387 - -P20486,PTHR23415,356,388 - -P48562,PTHR48015,357,389 - -P17891,PTHR10639,358,390 - -P35190,PTHR15615,359,391 - 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-Q8BST6,PTHR12098,14491,20953 - -Q9W3B2,PTHR23405,14492,20954 - -Q9VHS0,PTHR12083,14493,20955 - -O95433,PTHR13009,14494,20963 - -Q92730,PTHR24072,14495,20964 - -Q9NWT8,PTHR32035,14496,20967 - -Q9P6Q6,PTHR28118,14497,20968 - -Q96WV9,PTHR24056,14498,20969 - -O74627,PTHR10026,14499,20970 - -Q8MRQ2,PTHR41142,14500,20972 - -Q95U38,PTHR11815,14501,20974 - -O46080,PTHR14270,14502,20981 - -P38887,PTHR11575,14503,20983 - -P38888,PTHR45679,14504,20984 - -P38890,PTHR12197,14505,20985 - -P38892,PTHR44942,14506,20986 - -Q9SCK7,PTHR47993,14507,20996 - -Q05066,PTHR10270,14508,20997 - -Q9SKN7,PTHR36310,14509,20998 - -P24158,PTHR24257,14510,20999 - -Q86VY4,PTHR11875,14511,21000 - -Q12772,PTHR46062,14512,21001 - -P14359,PTHR21659,14513,21002 - -B7Z0E2,PTHR12913,14514,21003 - -Q9VIJ9,PTHR45709,14515,21005 - -P68363,PTHR11588,14516,21006 - -Q9VUN7,PTHR22851,14517,21010 - -Q7KVC9,PTHR21093,14518,21011 - -O95425,PTHR11977,14519,21013 - -Q9VAI1,PTHR13194,14520,21016 - -Q7L311,PTHR15712,14521,21017 - -Q06732,PTHR24376,14522,21018 - -P17858,PTHR13697,14523,21020 - -Q9VVV0,PTHR24260,14524,21021 - -Q9VY33,PTHR23279,14525,21022 - -P46999,PTHR47254,14526,21023 - -P35573,PTHR10569,14527,21024 - -Q9HDC5,PTHR23085,14528,21025 - -P13645,PTHR23239,14529,21026 - -Q9UBH0,PTHR10078,14530,21027 - -P09466,PTHR11430,14531,21028 - -P46997,PTHR43096,14532,21030 - -Q9FT69,PTHR13710,14533,21031 - -P46992,PTHR31737,14534,21034 - -Q7KRS9,PTHR46453,14535,21039 - -P08050,PTHR11984,14536,21040 - -Q9Z0S9,PTHR19317,14537,21041 - -Q9H211,PTHR28637,14538,21055 - -P11442,PTHR10292,14539,21056 - -P46460,PTHR23078,14540,21057 - -Q9ERI2,PTHR47977,14541,21058 - -Q99N80,PTHR45716,14542,21059 - -Q99N50,PTHR45716,14543,21060 - -P61586,PTHR24072,14544,21061 - -Q9BST9,PTHR21538,14545,21062 - -Q06335,PTHR23103,14546,21063 - -Q14185,PTHR45653,14547,21064 - -P61092,PTHR45877,14548,21065 - -Q9TW65,PTHR12268,14549,21068 - -P46989,PTHR15071,14550,21069 - -Q8R4E9,PTHR28637,14551,21071 - -P97310,PTHR11630,14552,21072 - -Q9UPR3,PTHR15696,14553,21073 - -P16554,PTHR11232,14554,21077 - -Q93YQ1,PTHR12848,14555,21079 - -Q8W4I9,PTHR23189,14556,21080 - -Q8TEQ6,PTHR46362,14557,21081 - -O14893,PTHR12794,14558,21082 - -P46982,PTHR31646,14559,21083 - -P39535,PTHR10283,14560,21086 - -Q8LE52,PTHR44420,14561,21087 - -Q05431,PTHR31356,14562,21088 - -Q96266,PTHR43900,14563,21089 - -Q9XI01,PTHR18929,14564,21091 - -O22870,PTHR43811,14565,21092 - -P23321,PTHR34058,14566,21093 - -Q9S841,PTHR34058,14567,21094 - -Q9VKJ8,PTHR12631,14568,21095 - -Q9VKY2,PTHR12696,14569,21096 - -Q9VBR3,PTHR45617,14570,21097 - -Q9V4F3,PTHR23285,14571,21099 - -Q9VM16,PTHR22802,14572,21100 - -Q9VTE8,PTHR23334,14573,21102 - -P16972,PTHR43112,14574,21104 - -Q9VC56,PTHR24006,14575,21105 - -Q6QU65,PTHR11905,14576,21106 - -Q6BER6,PTHR13381,14577,21107 - -Q9VIB3,PTHR43142,14578,21108 - -Q9VQR3,PTHR23274,14579,21111 - -Q95Q17,PTHR21428,14580,21112 - -Q9Y114,PTHR46424,14581,21114 - -P26019,PTHR45861,14582,21115 - -Q7KRY7,PTHR23119,14583,21116 - -A1ZAB5,PTHR12601,14584,21117 - -Q6NQY9,PTHR24031,14585,21118 - -Q9VW01,PTHR11567,14586,21119 - -Q9VEY4,PTHR22957,14587,21120 - -P45966,PTHR13345,14588,21121 - -Q9VDC9,PTHR13170,14589,21122 - -Q15276,PTHR31179,14590,21123 - -P16356,PTHR19376,14591,21125 - -Q00731,PTHR12025,14592,21126 - -Q9VUK8,PTHR10745,14593,21127 - -Q8IPZ3,PTHR11695,14594,21129 - -P61205,PTHR11711,14595,21130 - -Q08331,PTHR19972,14596,21131 - -P05063,PTHR11627,14597,21133 - -P15105,PTHR20852,14598,21134 - -P32525,PTHR45808,14599,21136 - -P39531,PTHR12100,14600,21137 - -P39529,PTHR47540,14601,21138 - -P39526,PTHR21663,14602,21139 - -Q3U0V2,PTHR14913,14603,21140 - -Q9VIH7,PTHR23354,14604,21142 - -Q9Z2K1,PTHR23239,14605,21143 - -Q61781,PTHR23239,14606,21144 - -Q9VEW2,PTHR13596,14607,21145 - -Q9VMA7,PTHR23158,14608,21146 - -Q9VHV6,PTHR13021,14609,21148 - -A1Z7X3,PTHR24235,14610,21149 - -Q9HCK4,PTHR44170,14611,21150 - -Q42403,PTHR10438,14612,21154 - -P10896,PTHR32429,14613,21155 - -P28627,PTHR12383,14614,21156 - -Q9VXR9,PTHR13994,14615,21157 - -A1Z9R1,PTHR22792,14616,21158 - -P46283,PTHR11556,14617,21160 - -P25697,PTHR10285,14618,21161 - -Q1WIQ6,PTHR42991,14619,21163 - -Q9MA79,PTHR11556,14620,21164 - -O22914,PTHR33921,14621,21165 - -Q9LZP9,PTHR33921,14622,21167 - -Q9SKP6,PTHR21139,14623,21168 - -P40890,PTHR12106,14624,21169 - -P40889,PTHR14074,14625,21170 - -P47082,PTHR48017,14626,21171 - -Q8IN79,PTHR34491,14627,21174 - -P47085,PTHR11060,14628,21175 - -P47088,PTHR12886,14629,21178 - -P47090,PTHR34814,14630,21179 - -P47095,PTHR10640,14631,21181 - -P47098,PTHR45895,14632,21183 - -Q92831,PTHR45750,14633,21184 - -P47100,PTHR45895,14634,21186 - -P36117,PTHR11188,14635,21190 - -P36119,PTHR12963,14636,21192 - -P36122,PTHR31975,14637,21194 - -P36125,PTHR12841,14638,21195 - -Q7K4E0,PTHR22826,14639,21198 - -P36130,PTHR19855,14640,21200 - -P36132,PTHR11735,14641,21204 - -Q96FX2,PTHR21454,14642,21206 - -Q9UGK8,PTHR45622,14643,21207 - -Q14344,PTHR10218,14644,21208 - -Q92888,PTHR45872,14645,21209 - -Q9Y3M8,PTHR12659,14646,21215 - -Q9VPK5,PTHR21567,14647,21216 - -Q9VJ81,PTHR48043,14648,21217 - -P61086,PTHR24068,14649,21218 - -Q94JQ4,PTHR11803,14650,21219 - -Q9M3D0,PTHR11614,14651,21220 - -P21807,PTHR45652,14652,21221 - -Q61084,PTHR24361,14653,21222 - -Q8ING5,PTHR23078,14654,21223 - -P11995,PTHR11511,14655,21224 - -Q8IMQ6,PTHR21143,14656,21225 - -P82985,PTHR21137,14657,21226 - -Q99N48,PTHR45716,14658,21227 - -P82712,PTHR24305,14659,21228 - -P26016,PTHR42884,14660,21232 - -Q91V27,PTHR14555,14661,21233 - -Q0VAV2,PTHR21469,14662,21234 - -Q9R0Q1,PTHR45716,14663,21235 - -Q9W1N5,PTHR21143,14664,21236 - -O00291,PTHR10407,14665,21237 - -F4HZB2,PTHR46108,14666,21238 - -B5X0I6,PTHR14027,14667,21239 - -Q99963,PTHR14167,14668,21240 - -Q8H102,PTHR16223,14669,21241 - -Q9FG37,PTHR19302,14670,21242 - -Q9T0I6,PTHR11140,14671,21243 - -B3H4Y3,PTHR37710,14672,21244 - -O43312,PTHR15708,14673,21245 - -Q6NQ80,PTHR47820,14674,21246 - -P02340,PTHR11447,14675,21247 - -Q15262,PTHR19134,14676,21248 - -P55854,PTHR10562,14677,21249 - -Q8NEY8,PTHR15836,14678,21250 - -Q9LYR4,PTHR10683,14679,21251 - -Q9SUM2,PTHR11021,14680,21253 - -Q9FHQ5,PTHR31861,14681,21254 - -Q6IDC0,PTHR47747,14682,21256 - -P07548,PTHR45771,14683,21257 - -Q07171,PTHR11977,14684,21262 - -Q9VGU4,PTHR11188,14685,21263 - -P47708,PTHR45729,14686,21267 - -P63011,PTHR47980,14687,21268 - -P55258,PTHR47980,14688,21269 - -Q9VMI4,PTHR24224,14689,21271 - -O14787,PTHR10527,14690,21272 - -Q9VTH1,PTHR45622,14691,21274 - -Q64727,PTHR46180,14692,21276 - -P97311,PTHR11630,14693,21277 - -Q60862,PTHR14052,14694,21278 - -P49717,PTHR11630,14695,21279 - -Q61881,PTHR11630,14696,21280 - -Q17R13,PTHR24418,14697,21281 - -O88643,PTHR48015,14698,21282 - -G5E8K5,PTHR24198,14699,21283 - -Q9XZ14,PTHR11733,14700,21284 - -Q9VQB4,PTHR22604,14701,21286 - -O18973,PTHR23101,14702,21290 - -Q9NZ52,PTHR45905,14703,21291 - -Q9VQ89,PTHR16453,14704,21292 - -Q9VXY8,PTHR12406,14705,21299 - -Q6QNY0,PTHR31974,14706,21300 - -Q9UUM2,PTHR22940,14707,21301 - -O14350,PTHR13220,14708,21302 - -Q9D415,PTHR12353,14709,21303 - -Q8BFV3,PTHR10159,14710,21304 - -Q8R071,PTHR12400,14711,21305 - -D3ZZK3,PTHR46877,14712,21306 - -Q99104,PTHR13140,14713,21308 - -Q60823,PTHR24356,14714,21309 - -Q61411,PTHR24070,14715,21310 - -O04090,PTHR43112,14716,21311 - -P28496,PTHR12560,14717,21312 - -Q8H166,PTHR12411,14718,21314 - -Q9LIR4,PTHR21000,14719,21315 - -P27140,PTHR11002,14720,21316 - -Q9W468,PTHR45784,14721,21317 - -P42737,PTHR11002,14722,21319 - -Q9LS40,PTHR13683,14723,21320 - -P37702,PTHR10353,14724,21321 - -P28493,PTHR31048,14725,21322 - -P42734,PTHR42683,14726,21323 - -Q9FJY6,PTHR11122,14727,21324 - -Q9M5K3,PTHR22912,14728,21325 - -Q9CQ20,PTHR14315,14729,21326 - -P47133,PTHR12760,14730,21327 - -P47137,PTHR11732,14731,21328 - -P47138,PTHR24074,14732,21329 - -P47139,PTHR11440,14733,21330 - -P47140,PTHR23248,14734,21331 - -P38841,PTHR28288,14735,21333 - -P38842,PTHR10989,14736,21334 - -Q14194,PTHR11647,14737,21335 - -P38843,PTHR35329,14738,21336 - -P35080,PTHR13936,14739,21337 - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index 07e5eaa9d..c21efcef4 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -16,37 +16,6 @@ @Log4j public class OrthologsFileParser { - public static Map parseFile(String filePath) { - Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); - Pattern pantherRegex = Pattern.compile("PTHR\\d+"); - Map uniprotAndPTHR = new HashMap<>(); - log.info("Parsing file..."); - - try ( - BufferedReader reader = new BufferedReader(new FileReader(filePath))) { - - String line; - while ((line = reader.readLine()) != null) { - ArrayList uniprotMatches = new ArrayList<>(); - - Matcher uniprotMatcher = uniprotKBRegex.matcher(line); - Matcher pantherMatcher = pantherRegex.matcher(line); - - while (uniprotMatcher.find()) { - uniprotMatches.add(uniprotMatcher.group(1)); - } - while (pantherMatcher.find()) { - uniprotMatches.forEach(up -> uniprotAndPTHR.put(up, pantherMatcher.group())); - } - } - } catch (IOException e) { - throw new RuntimeException(e); - } - log.info("File parsed."); - log.info("Number of Panther identifiers: " + uniprotAndPTHR.size()); - return uniprotAndPTHR; - } - public static void parseFileAndSave(String inputFilePath, String outputDirPath) throws IOException { Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); Pattern pantherRegex = Pattern.compile("PTHR\\d+"); @@ -63,7 +32,6 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) // First we store all matches in a map to ensure there's no duplication Map> uniprotAndPTHR = new HashMap<>(); try (BufferedReader reader = new BufferedReader(new FileReader(inputFilePath))) { - String line; while ((line = reader.readLine()) != null) { linesRead++; diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java deleted file mode 100644 index 9c76b0455..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsManager.java +++ /dev/null @@ -1,64 +0,0 @@ -package uk.ac.ebi.intact.ortholog; - -import lombok.RequiredArgsConstructor; -import org.springframework.context.ApplicationContext; -import org.springframework.context.support.ClassPathXmlApplicationContext; -import psidev.psi.mi.jami.bridges.exception.BridgeFailedException; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; - -import java.io.BufferedWriter; -import java.io.FileWriter; -import java.util.*; -import java.io.IOException; - -// This class is just for testing - -@RequiredArgsConstructor -public class OrthologsManager { - - public static void main(String[] args) throws IOException, BridgeFailedException { - ApplicationContext context = new ClassPathXmlApplicationContext("classpath*:/META-INF/orthology-import-spring.xml"); - - OrthologsFileReader orthologsFileReader = context.getBean("orthologsFileReader", OrthologsFileReader.class); - OrthologsFileParser orthologsFileParser = context.getBean("orthologsFileParser", OrthologsFileParser.class); - OrthologsProteinAssociation orthologsProteinAssociation = context.getBean("orthologsProteinAssociation", OrthologsProteinAssociation.class); - OrthologsXrefWriter orthologsXrefWriter = context.getBean("orthologsXrefWriter", OrthologsXrefWriter.class); - - String reportFile = "orthologsReport.txt"; - String filePath = "orthologsData.txt"; - String urlPanther = "http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz"; - - String report = ""; - -// OrthologsFileReader.decompressGzip(urlPanther,filePath);// working - - Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath);// working -// System.out.println("Total number of orthologs parsed: " + uniprotAndPanther.size()); -// report += "Total number of orthologs parsed: " + uniprotAndPanther.size() + "\n"; - - Collection proteins = orthologsProteinAssociation.getIntactProtein();// working -// Collection proteins = orthologsProteinAssociation.getFewIntactProtein(); -// System.out.println("Total number of Intact proteins: " + proteins.size()); -// report += "Total number of Intact proteins: " + proteins.size() + "\n"; - - Map proteinAndPanther = orthologsProteinAssociation.associateAllProteinsToPantherId(uniprotAndPanther, proteins); -// System.out.println("Number of protein associated to Panther id: " + proteinAndPanther.size()); -// report += "Number of protein associated to Panther id: " + proteinAndPanther.size() + "\n"; - -// orthologsXrefWriter.iterateThroughProteins(proteinAndPanther); - -// reportWriter(reportFile, report); - } - - public static void reportWriter(String reportFile, String toWrite){ - try { - FileWriter fileWriter = new FileWriter(reportFile); - BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); - bufferedWriter.write(toWrite); - bufferedWriter.close(); - } - catch (Exception e) { - e.getStackTrace(); - } - } -} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java index 6012f10e8..c62e82e88 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsProteinAssociation.java @@ -8,9 +8,6 @@ import java.io.*; import java.nio.file.Path; import java.util.*; -import java.util.concurrent.atomic.AtomicInteger; -import java.util.stream.Collectors; -import java.util.stream.Stream; @Log4j public class OrthologsProteinAssociation { @@ -22,11 +19,6 @@ public OrthologsProteinAssociation(IntactDao intactDao) { this.intactDao = intactDao; } - public Collection getIntactProtein(){ - log.info("Fetching all Intact Proteins..."); - return intactDao.getProteinDao().getAll(); - } - public List getProteinAcs() { String sqlQuery = "select CAST(REPLACE(ac,'EBI-','') as integer) as numberAC from intact.ia_interactor p where category = 'protein' order by numberAC asc"; Query query = intactDao.getEntityManager().createNativeQuery(sqlQuery); @@ -41,120 +33,6 @@ public List fetchProteins(Integer startAc, Integer endAc) { return query.getResultList(); } - public Map associateAllProteinsToPantherId(Map uniprotIdAndPanther, Collection intactProteins) { - log.info("Associating Intact proteins to Panther identifier..."); - Map intactProteinAndPanther = new HashMap<>(); -// List intactProteinList = new ArrayList<>(intactProteins); - - int batchSize = 1000; - - AtomicInteger counter = new AtomicInteger(0); - Stream intactProteinStream = intactProteins.stream(); - Stream> batches = batchStream(intactProteinStream, batchSize); - - batches.forEach(batch -> { - for (int i = 0; i < batchSize; i++) { - counter.addAndGet(1); - IntactProtein protein = batch.get(i); - String proteinId = protein.getUniprotkb(); - String pantherId = uniprotIdAndPanther.get(proteinId); - if (pantherId != null) { - intactProteinAndPanther.put(protein, pantherId); - dataWriter(proteinId + "," + pantherId + "," + intactProteinAndPanther.size() + "," + counter); - } - } - log.info("Finished processing batch, total processed proteins :" + intactProteinAndPanther.size()); - }); - -// int counter = 0; -// int index = 0; -// int nProteinProcessed = 100; // to avoid log at each processed protein -// -// String[] lastSave= fetchFromStopped(); -// -// if (lastSave != null){ -// index = Integer.parseInt(lastSave[3]); -// counter = Integer.parseInt(lastSave[2]); -// } -// -// for (int i = index; i < intactProteinList.size(); i++) { -// IntactProtein protein = intactProteinList.get(i); -// String proteinId = protein.getUniprotkb(); -// String pantherId = uniprotIdAndPanther.get(proteinId); -// if (pantherId != null) { -// counter += 1; -//// intactProteinAndPanther.put(protein, pantherId); -// // is the system.out creating the memory issue? -// if ((counter) % nProteinProcessed == 0) { -// log.info("Protein processed: " + counter ); -// } -// dataWriter(proteinId + "," + pantherId + "," + counter + "," + i + "\n"); -// } -// } -// log.info("Number of protein associated to Panther identifier: " + counter); - return intactProteinAndPanther; - } - - public Stream> batchStream(Stream proteinStream, int batchSize) { - List proteins = proteinStream.collect(Collectors.toList()); - int size = proteins.size(); - int numberOfBatches = (size + batchSize - 1) / batchSize; - - return Stream.iterate(0, n -> n + 1) - .limit(numberOfBatches) - .map(i -> proteins.subList(i * batchSize, (i + 1) * batchSize)); - - } - - public String[] fetchFromStopped() { - String line = dataReader(); - if (line != null) { - return line.split(","); - } - return null; - } - - public Map associateOneProteinToPantherID(Map proteinAndPanther, IntactProtein protein){ - String proteinId = protein.getUniprotkb(); - String pantherId = proteinAndPanther.get(proteinId); - Map intactProteinAndPantherId = new HashMap<>(); - if (pantherId != null) { - intactProteinAndPantherId.put(protein, pantherId); - dataWriter(proteinId + "," + pantherId); - log.info(proteinId + "," + pantherId); - return intactProteinAndPantherId; - } - return intactProteinAndPantherId; - } - - public String dataReader() { - String lastLine = null; - try (BufferedReader reader = new BufferedReader(new FileReader("proteinAndPanther.txt"))) { - String line; - while ((line = reader.readLine()) != null) { - String[] parts = line.split(","); - if (parts.length == 4) { - lastLine = line; - } - } - reader.close(); - return lastLine; - } catch (IOException e) { - throw new RuntimeException(e); - } - } - - public void dataWriter(String toWrite) { - try (FileWriter fileWriter = new FileWriter("proteinAndPantherBatches.txt", true); - BufferedWriter bufferedWriter = new BufferedWriter(fileWriter)) { - bufferedWriter.write(toWrite); - bufferedWriter.newLine(); - - } catch (IOException e) { - e.printStackTrace(); - } - } - public static Collection associateOneProteinToPantherIds(String dirPath, IntactProtein protein) throws IOException { String proteinAc = protein.getUniprotkb(); List pantherIds = new ArrayList<>(); diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java index 3b7c83d06..8cf924956 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsXrefWriter.java @@ -1,14 +1,12 @@ package uk.ac.ebi.intact.ortholog; import lombok.RequiredArgsConstructor; -import psidev.psi.mi.jami.model.Xref; import uk.ac.ebi.intact.jami.dao.IntactDao; import uk.ac.ebi.intact.jami.model.extension.IntactCvTerm; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.model.extension.InteractorXref; import uk.ac.ebi.intact.jami.utils.IntactUtils; import java.util.*; -import java.util.Map; @RequiredArgsConstructor public class OrthologsXrefWriter { diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java index c7ecca4c3..48a406e06 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/ProteinPartitioner.java @@ -37,6 +37,10 @@ public Map partition(int partSize) { ExecutionContext ctxMap = new ExecutionContext(); partitionMap.put("Thread:-" + number, ctxMap); + if (endingIndex > totalCount) { + endingIndex = totalCount; + } + ctxMap.putInt("startAc", proteinAcs.get(startingIndex)); ctxMap.putInt("endAc", proteinAcs.get(endingIndex - 1)); @@ -50,4 +54,4 @@ public Map partition(int partSize) { log.info("END: Created " + partitionMap.size() + " partitions"); return partitionMap; } -} +} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java deleted file mode 100644 index ecbf94ed0..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileParser.java +++ /dev/null @@ -1,39 +0,0 @@ -package uk.ac.ebi.intact.ortholog; - -import lombok.extern.log4j.Log4j; -import java.io.*; -import java.util.*; - - -@Log4j -public class UpdatedProteinFileParser { - public static Collection parseFile() { - Collection alreadyUpdatedProteins = new HashSet<>(); - log.info("Parsing already updated proteins file..."); - try (BufferedReader reader = new BufferedReader(new FileReader("UpdatedProteins.txt"))) { - String line; - while ((line = reader.readLine()) != null) { - alreadyUpdatedProteins.add(line); - } - } catch (IOException e) { - throw new RuntimeException(e); - } - log.info("File parsed."); - log.info("Number of proteins already updated: " + alreadyUpdatedProteins.size()); - return alreadyUpdatedProteins; - } - - public static boolean findProteinInFile(String proteinId){ - try (BufferedReader reader = new BufferedReader(new FileReader("UpdatedProteins.txt"))) { - String line; - while ((line = reader.readLine()) != null) { - if (line.contains(proteinId)) { - return true; - } - } - } catch (IOException e) { - throw new RuntimeException(e); - } - return false; - } -} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java deleted file mode 100644 index d35d57a7d..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/UpdatedProteinFileWriter.java +++ /dev/null @@ -1,20 +0,0 @@ -package uk.ac.ebi.intact.ortholog; - -import java.io.BufferedWriter; -import java.io.FileWriter; - -public class UpdatedProteinFileWriter { - public static void updatedProteinWriter(String toWrite){ - try { - FileWriter fileWriter = new FileWriter("UpdatedProteins.txt", true); - BufferedWriter bufferedWriter = new BufferedWriter(fileWriter); - bufferedWriter.write(toWrite); - bufferedWriter.newLine(); - bufferedWriter.close(); - } - catch (Exception e) { - e.getStackTrace(); - } - } -} - diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java index 51f4af961..199f44be8 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherReader.java @@ -6,16 +6,9 @@ import org.springframework.batch.item.ItemReader; import org.springframework.batch.item.ItemStream; import org.springframework.batch.item.ItemStreamException; -import org.springframework.batch.item.NonTransientResourceException; -import org.springframework.batch.item.ParseException; -import org.springframework.batch.item.UnexpectedInputException; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.ortholog.OrthologsFileParser; import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; import uk.ac.ebi.intact.ortholog.model.ProteinAndPantherGroup; -import uk.ac.ebi.intact.ortholog.UpdatedProteinFileParser; - -import java.io.IOException; import java.util.*; @Log4j @@ -23,12 +16,8 @@ public class IntactProteinAndPantherReader implements ItemReader, ItemStream { private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String uncompressedPantherFilePath; private final String proteinPantherPairDirPath; - private final UpdatedProteinFileParser updatedProteinFileParser; - private Iterator proteinIterator; - private Collection alreadyUpdatedProteins; @Override public ProteinAndPantherGroup read() throws Exception{ @@ -36,7 +25,6 @@ public ProteinAndPantherGroup read() throws Exception{ IntactProtein protein = proteinIterator.next(); Collection pantherIds = OrthologsProteinAssociation .associateOneProteinToPantherIds(proteinPantherPairDirPath, protein); -// if (!pantherIds.isEmpty() && !alreadyUpdatedProteins.contains(protein.getUniprotkb())) { if (!pantherIds.isEmpty()) { return new ProteinAndPantherGroup(protein, pantherIds); } @@ -46,18 +34,10 @@ public ProteinAndPantherGroup read() throws Exception{ @Override public void open(ExecutionContext executionContext) throws ItemStreamException { -// alreadyUpdatedProteins = UpdatedProteinFileParser.parseFile(); -// try { -// OrthologsFileParser.parseFileAndSave(uncompressedPantherFilePath, proteinPantherPairDirPath); -// } catch (IOException e) { -// throw new ItemStreamException("Error parsing the file: " + uncompressedPantherFilePath, e); -// } - int startAc = executionContext.getInt("startAc"); int endAc = executionContext.getInt("endAc"); List allProteins = orthologsProteinAssociation.fetchProteins(startAc, endAc); log.info("Reading " + allProteins.size() + " proteins"); - proteinIterator = allProteins.iterator(); } diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java deleted file mode 100644 index 23855bbab..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/IntactProteinAndPantherWriter.java +++ /dev/null @@ -1,64 +0,0 @@ -package uk.ac.ebi.intact.ortholog.jobs; - -import lombok.RequiredArgsConstructor; -import org.springframework.batch.item.ExecutionContext; -import org.springframework.batch.item.ItemStream; -import org.springframework.batch.item.ItemStreamException; -import org.springframework.batch.item.ItemWriter; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.jami.service.InteractorService; - -import java.io.BufferedWriter; -import java.io.FileWriter; -import java.io.IOException; -import java.util.List; -import java.util.Map; - -@RequiredArgsConstructor -public class IntactProteinAndPantherWriter implements ItemWriter>, ItemStream { - - private final InteractorService interactorService; - private BufferedWriter bufferedWriter; - - @Override - public void open(ExecutionContext executionContext) throws ItemStreamException { - try { - FileWriter fileWriter = new FileWriter("proteinAndPantherBatches2.txt", true); - bufferedWriter = new BufferedWriter(fileWriter); - } catch (IOException e) { - throw new ItemStreamException("Error opening file for writing", e); - } - } - - @Override - public void update(ExecutionContext executionContext) throws ItemStreamException { - } - - @Override - public void close() throws ItemStreamException { - try { - if (bufferedWriter != null) { - bufferedWriter.close(); - } - } catch (IOException e) { - throw new ItemStreamException("Error closing file writer", e); - } - } - - @Override - public void write(List> items) throws Exception { - try { - for (Map item : items) { - for (Map.Entry entry : item.entrySet()) { - String protein = entry.getKey().getUniprotkb(); - String pantherIndex = entry.getValue(); - bufferedWriter.write(protein + "," + pantherIndex); - bufferedWriter.newLine(); - } - } - bufferedWriter.flush(); - } catch (IOException e) { - throw new ItemStreamException("Error writing to file", e); - } - } -} diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java deleted file mode 100644 index f9b50822f..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemProcessor.java +++ /dev/null @@ -1,39 +0,0 @@ -package uk.ac.ebi.intact.ortholog.jobs; - -import lombok.RequiredArgsConstructor; -import org.springframework.batch.item.ExecutionContext; -import org.springframework.batch.item.ItemProcessor; -import org.springframework.batch.item.ItemStream; -import org.springframework.batch.item.ItemStreamException; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.ortholog.OrthologsXrefWriter; -import java.util.Map; - -@RequiredArgsConstructor -public class OrthologsItemProcessor implements ItemProcessor, IntactProtein>, ItemStream { - - private final OrthologsXrefWriter orthologsXrefWriter; - - @Override - public IntactProtein process(Map.Entry item) throws Exception { - IntactProtein protein = item.getKey(); - String pantherId = item.getValue(); - orthologsXrefWriter.addOrthologyXref(protein, pantherId); - return protein; - } - - @Override - public void open(ExecutionContext executionContext) throws ItemStreamException { - - } - - @Override - public void update(ExecutionContext executionContext) throws ItemStreamException { - - } - - @Override - public void close() throws ItemStreamException { - - } -} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java deleted file mode 100644 index 2ec05e29b..000000000 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/OrthologsItemReader.java +++ /dev/null @@ -1,53 +0,0 @@ -package uk.ac.ebi.intact.ortholog.jobs; - -import lombok.RequiredArgsConstructor; -import org.springframework.batch.item.ExecutionContext; -import org.springframework.batch.item.ItemReader; -import org.springframework.batch.item.ItemStream; -import org.springframework.batch.item.ItemStreamException; -import org.springframework.batch.item.NonTransientResourceException; -import org.springframework.batch.item.ParseException; -import org.springframework.batch.item.UnexpectedInputException; -import uk.ac.ebi.intact.jami.model.extension.IntactProtein; -import uk.ac.ebi.intact.ortholog.OrthologsFileParser; -import uk.ac.ebi.intact.ortholog.OrthologsProteinAssociation; -import uk.ac.ebi.intact.ortholog.jobs.IntactProteinAndPantherProcessor; - -import java.util.Collection; -import java.util.Iterator; -import java.util.Map; - -@RequiredArgsConstructor -public class OrthologsItemReader implements ItemReader>, ItemStream { - - private final OrthologsProteinAssociation orthologsProteinAssociation; - private final String filePath; - private Iterator> uniprotAndPantherIterator; - private Map uniprotAndPanther; - private IntactProteinAndPantherProcessor processor; - - - @Override - public Map.Entry read() throws Exception, UnexpectedInputException, ParseException, NonTransientResourceException { - return uniprotAndPantherIterator.hasNext() ? uniprotAndPantherIterator.next() : null; - } - - @Override - public void open(ExecutionContext executionContext) throws ItemStreamException { -// Collection allProteins = orthologsProteinAssociation.getIntactProtein(); -// Map uniprotAndPanther = OrthologsFileParser.parseFile(filePath); -// Map uniprotAndPantherMap = processor.process(); - //TODO: see how to fetch the uniprotAndPantherMap results -// uniprotAndPantherIterator = uniprotAndPantherMap.entrySet().iterator(); - } - - @Override - public void update(ExecutionContext executionContext) throws ItemStreamException { - - } - - @Override - public void close() throws ItemStreamException { - - } -} \ No newline at end of file diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java index 882d88b14..9c9e9d69f 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/jobs/ProteinCollectionWriter.java @@ -7,14 +7,12 @@ import org.springframework.batch.item.ItemWriter; import uk.ac.ebi.intact.jami.model.extension.IntactProtein; import uk.ac.ebi.intact.jami.service.InteractorService; -import uk.ac.ebi.intact.ortholog.UpdatedProteinFileWriter; import java.util.List; @RequiredArgsConstructor public class ProteinCollectionWriter implements ItemWriter, ItemStream { private final InteractorService interactorService; - private final UpdatedProteinFileWriter updatedProteinFileWriter; @Override public void open(ExecutionContext executionContext) throws ItemStreamException { @@ -34,9 +32,5 @@ public void close() throws ItemStreamException { @Override public void write(List items) throws Exception { interactorService.saveOrUpdate(items); - for (IntactProtein protein : items) { -// UpdatedProteinFileWriter.updatedProteinWriter(protein.getUniprotkb()); - UpdatedProteinFileWriter.updatedProteinWriter(protein.getUniprotkb()); - } } } \ No newline at end of file diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml index 8e2665c03..bc51cd0ae 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import-spring.xml @@ -42,13 +42,6 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - + - - - - - - - + @@ -251,32 +220,6 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties index 3df62f51f..771548c3f 100644 --- a/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties +++ b/intact-orthology-import/src/main/resources/META-INF/orthology-import.properties @@ -1,11 +1,5 @@ jami.user.context.id=ORTHOLOG_IMPORTER - -reportFile=orthologsReport.txt -#filePath=orthologsData.txt uncompressedPantherFilePath=/nfs/production/hhe/intact/data/panther/orthologsData.txt -#proteinPantherPairFilePath=ProteinAndOrthologPairs.txt urlPanther=http://data.pantherdb.org/ftp/ortholog/current_release/AllOrthologs.tar.gz proteinPantherPairDirPath=/nfs/production/hhe/intact/data/panther/data - - ac.prefix=EBI \ No newline at end of file diff --git a/orthologsReport.txt b/orthologsReport.txt deleted file mode 100644 index e69de29bb..000000000 From 872e57db87a2019eb9c10c9192ff824e52f9d3ed Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 24 Sep 2024 14:37:54 +0100 Subject: [PATCH 60/62] Cleanup --- intact-orthology-import/importOrtholgy.sh | 14 +++++++------- intact-orthology-import/pom.xml | 3 --- .../ebi/intact/ortholog/OrthologsFileParser.java | 9 +++++---- 3 files changed, 12 insertions(+), 14 deletions(-) diff --git a/intact-orthology-import/importOrtholgy.sh b/intact-orthology-import/importOrtholgy.sh index b41736287..cc5f3c644 100755 --- a/intact-orthology-import/importOrtholgy.sh +++ b/intact-orthology-import/importOrtholgy.sh @@ -8,15 +8,15 @@ #SBATCH -J "ORTHOLOG_IMPORT" # job name #SBATCH -o "/nfs/production/hhe/intact/data/panther/logs/ortholog-import-%j.out" # job output file #SBATCH --mail-type=ALL -#SBATCH --mail-user=susiehuget@ebi.ac.uk # email address +#SBATCH --mail-user=intact-dev@ebi.ac.uk # email address export JAVA_HOME=/hps/software/users/hhe/intact/third-party-softwares/latest_intact_jdk11 -#if [ $# -ne 2 ]; then -# echo "" -# echo "ERROR: wrong number of parameters ($#)." -# echo "" -# exit 1 -#fi +if [ $# -ne 1 ]; then + echo "" + echo "ERROR: wrong number of parameters ($#)." + echo "" + exit 1 +fi PROFILE=$1; diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 3df0f981b..1871324ed 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -42,9 +42,6 @@ -Xmx12288m -Xms2048m - - - -XX:+HeapDumpOnOutOfMemoryError -XX:HeapDumpPath=/Users/susiehuget/IdeaProjects/intact-data-exchange/intact-orthology-import/heapdump.hprof diff --git a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java index c21efcef4..5a724d30e 100644 --- a/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java +++ b/intact-orthology-import/src/main/java/uk/ac/ebi/intact/ortholog/OrthologsFileParser.java @@ -16,9 +16,10 @@ @Log4j public class OrthologsFileParser { + private static final Pattern UNIPROT_KB_REGEX = Pattern.compile("UniProtKB=([A-Z0-9]+)"); + private static final Pattern PANTHER_REGEX = Pattern.compile("PTHR\\d+"); + public static void parseFileAndSave(String inputFilePath, String outputDirPath) throws IOException { - Pattern uniprotKBRegex = Pattern.compile("UniProtKB=([A-Z0-9]+)"); - Pattern pantherRegex = Pattern.compile("PTHR\\d+"); log.info("Parsing file..."); File outputDir = new File(outputDirPath); @@ -37,8 +38,8 @@ public static void parseFileAndSave(String inputFilePath, String outputDirPath) linesRead++; ArrayList uniprotMatches = new ArrayList<>(); - Matcher uniprotMatcher = uniprotKBRegex.matcher(line); - Matcher pantherMatcher = pantherRegex.matcher(line); + Matcher uniprotMatcher = UNIPROT_KB_REGEX.matcher(line); + Matcher pantherMatcher = PANTHER_REGEX.matcher(line); while (uniprotMatcher.find()) { uniprotMatches.add(uniprotMatcher.group(1)); From dfeba0a1fdbdd58dff9302930e3ff1d07879a25c Mon Sep 17 00:00:00 2001 From: Susie Date: Tue, 24 Sep 2024 16:18:15 +0100 Subject: [PATCH 61/62] Cleanup --- intact-orthology-import/pom.xml | 4 ---- 1 file changed, 4 deletions(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 1871324ed..093a36abb 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -42,10 +42,6 @@ -Xmx12288m -Xms2048m - -XX:+HeapDumpOnOutOfMemoryError - - -XX:HeapDumpPath=/Users/susiehuget/IdeaProjects/intact-data-exchange/intact-orthology-import/heapdump.hprof - -classpath psidev.psi.mi.jami.batch.MIBatchJobManager From 181ee86b3f232121f4a0f967cdcb3c61cbed182d Mon Sep 17 00:00:00 2001 From: jmedinaebi Date: Wed, 25 Sep 2024 08:58:31 +0100 Subject: [PATCH 62/62] Update version on new module --- intact-orthology-import/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/intact-orthology-import/pom.xml b/intact-orthology-import/pom.xml index 093a36abb..ff10e1961 100644 --- a/intact-orthology-import/pom.xml +++ b/intact-orthology-import/pom.xml @@ -8,7 +8,7 @@ uk.ac.ebi.intact.dataexchange intact-dataexchange-master - 4.1.0-SNAPSHOT + 4.2.0-SNAPSHOT intact-orthology-import