From 9184864305f7bfbf411fdcf2f37606762516f6c7 Mon Sep 17 00:00:00 2001
From: unknown <treehyde1@gmail.com>
Date: Wed, 20 Nov 2024 14:48:21 +0100
Subject: [PATCH] added identifiers for swiss lipids

---
 omnipath_metabo/data/resource-labels.yaml |  6 ++++++
 omnipath_metabo/schema/_structure.py      | 17 +++++++++++++++--
 2 files changed, 21 insertions(+), 2 deletions(-)

diff --git a/omnipath_metabo/data/resource-labels.yaml b/omnipath_metabo/data/resource-labels.yaml
index d254fd4..2931e03 100644
--- a/omnipath_metabo/data/resource-labels.yaml
+++ b/omnipath_metabo/data/resource-labels.yaml
@@ -35,3 +35,9 @@ lipidmaps:
   LIPIDBANK_ID: LipidBank
   PLANTFA_ID: PlantFAdb
   NAME: Name
+swisslipids:
+  CHEBI: ChEBI
+  LIPID MAPS: LIPID MAPS
+  HMDB: HMDB
+  MetaNetX: MetaNetX
+  Synonyms*: Synonym 
\ No newline at end of file
diff --git a/omnipath_metabo/schema/_structure.py b/omnipath_metabo/schema/_structure.py
index 92b8c94..a8ceb63 100644
--- a/omnipath_metabo/schema/_structure.py
+++ b/omnipath_metabo/schema/_structure.py
@@ -140,9 +140,17 @@ def __iter__(self):
             }
 
 
-class SwissLipids():
+class SwissLipids(ResourceBase):
     scheme = Structure
     name = 'SwissLipids'
+    id_fields = [
+        'CHEBI',
+        'LIPID MAPS',
+        'HMDB',
+        'MetaNetX',
+        'Synonyms*'
+        ]
+
     def __iter__(self):
         for met in swisslipids.swisslipids_lipids():
             if met['Mass (pH7.3)'] == '':
@@ -160,7 +168,12 @@ def __iter__(self):
                     met['SMILES (pH7.3)'],
                     met['InChI (pH7.3)'],
                 ),
-                'properties':(mass, 0, charge, met['Formula (pH7.3)'])
+                'properties':(mass, 0, charge, met['Formula (pH7.3)']),
+                'identifiers':[
+                    (name, key)
+                    for key in self.id_fields
+                    if (name := met[key])
+                ]
                 }