#1458 Failed UT api\indigo_test.py:test_convert_smarts (#1459)

epam · Dec 22, 2023 · fd3fa7d · fd3fa7d
1 parent 3e3ef6f
commit fd3fa7d
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/utils/indigo-service/backend/service/tests/api/indigo_test.py b/utils/indigo-service/backend/service/tests/api/indigo_test.py
@@ -645,10 +645,10 @@ def test_convert_canonical_smiles(self):
 
     def test_convert_smarts(self):
         smarts = [
-            "[O]-[*]-[C](-[#9])(-[#9])-[#9]",
-            "[#6,#1]",
-            "[#1,#1]",
-            "[#9,#17,#35,#53,N&+,$([OH]-*=[!#6]),+;*]",
+            "O-[*]-C(-F)(-F)-F",
+            "[#6,H]",
+            "[H,H]",
+            "[F,Cl,Br,I,N&+,$([OH]-*=[!#6]),+;*]",
         ]
         results = []
         # results_get = []

diff --git a/utils/indigo-service/backend/service/v2/indigo_api.py b/utils/indigo-service/backend/service/v2/indigo_api.py
@@ -317,10 +317,10 @@ def load_moldata(
             )
     md = MolData()
 
-    if "input-format" in options and options["input-format"] in (
-        "smarts",
-        "chemical/x-daylight-smarts",
-    ):
+    input_format = mime_type
+    if "input-format" in options:
+        input_format = options["input-format"]
+    if input_format in ("smarts", "chemical/x-daylight-smarts"):
         md.struct = indigo.loadSmarts(molstr)
         md.is_query = True
     elif molstr.startswith("InChI"):