#1303 Return original format

Fix indigo service v2
epam · Oct 6, 2023 · 35b4650 · 35b4650
1 parent fa7e863
commit 35b4650
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Showing 5 changed files with 17 additions and 6 deletions.
diff --git a/api/c/indigo/src/indigo_molecule.cpp b/api/c/indigo/src/indigo_molecule.cpp
@@ -3802,7 +3802,8 @@ CEXPORT const char* indigoGetOriginalFormat(int item)
                 return "unknown";
             }
         }
-        throw IndigoError("indigoSaveJson(): expected molecule or reaction, got %s", obj.debugInfo());
+        else
+            throw IndigoError("indigoSaveJson(): expected molecule, got %s", obj.debugInfo());
     }
     INDIGO_END(0);
 }

diff --git a/api/python/indigo/indigo/indigo_lib.py b/api/python/indigo/indigo/indigo_lib.py
@@ -246,6 +246,8 @@ def __init__(self) -> None:
         IndigoLib.lib.indigoIndex.argtypes = [c_int]
         IndigoLib.lib.indigoRemove.restype = c_int
         IndigoLib.lib.indigoRemove.argtypes = [c_int]
+        IndigoLib.lib.indigoGetOriginalFormat.restype = c_char_p
+        IndigoLib.lib.indigoGetOriginalFormat.argtypes = [c_int]
         IndigoLib.lib.indigoSaveMolfileToFile.restype = c_int
         IndigoLib.lib.indigoSaveMolfileToFile.argtypes = [c_int, c_char_p]
         IndigoLib.lib.indigoMolfile.restype = c_char_p

diff --git a/api/python/indigo/indigo/indigo_object.py b/api/python/indigo/indigo/indigo_object.py
@@ -243,7 +243,9 @@ def getOriginalFormat(self):
             str: original format string
         """
 
-        return IndigoLib.checkResultString(self._lib().getOriginalFormat(self.id))
+        return IndigoLib.checkResultString(
+            self._lib().indigoGetOriginalFormat(self.id)
+        )
 
     def saveMolfile(self, filename):
         """Molecule method saves the structure into a Molfile

diff --git a/core/indigo-core/molecule/src/base_molecule.cpp b/core/indigo-core/molecule/src/base_molecule.cpp
@@ -34,7 +34,7 @@ using namespace indigo;
 
 IMPL_ERROR(BaseMolecule, "molecule");
 
-BaseMolecule::BaseMolecule():original_format(BaseMolecule::UNKNOWN)
+BaseMolecule::BaseMolecule() : original_format(BaseMolecule::UNKNOWN)
 {
     _edit_revision = 0;
 }
@@ -661,7 +661,7 @@ void BaseMolecule::clone(BaseMolecule& other, Array<int>* mapping, Array<int>* i
     makeSubmolecule(other, *mapping, inv_mapping, skip_flags);
     _meta.clone(other._meta);
     name.copy(other.name);
-    other.original_format = original_format;
+    original_format = other.original_format;
     copyProperties(other, *mapping);
 }
 
@@ -694,7 +694,7 @@ void BaseMolecule::clone_KeepIndices(BaseMolecule& other, int skip_flags)
     _meta.clone(other._meta);
     _mergeWithSubmolecule_Sub(other, vertices, 0, mapping, edge_mapping, skip_flags);
     name.copy(other.name);
-    other.original_format = original_format;
+    original_format = other.original_format;
     copyProperties(other, mapping);
 }
 

diff --git a/utils/indigo-service/backend/service/v2/indigo_api.py b/utils/indigo-service/backend/service/v2/indigo_api.py
@@ -429,7 +429,13 @@ def get_response(md, output_struct_format, json_output, options, indigo):
 
     if json_output:
         return (
-            jsonify({"struct": output_mol, "format": output_struct_format}),
+            jsonify(
+                {
+                    "struct": output_mol,
+                    "format": output_struct_format,
+                    "original_format": md.struct.getOriginalFormat(),
+                }
+            ),
             200,
             {"Content-Type": "application/json"},
         )