clang fix

epam · Sep 12, 2023 · e1696ba · e1696ba
1 parent 2420cd1
commit e1696ba
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Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/api/tests/integration/ref/formats/smiles.py.out b/api/tests/integration/ref/formats/smiles.py.out
@@ -71,3 +71,6 @@ chemaxon:
 CCCC |Sg:n:0,1,2::ht|
 chemaxon:
 CCCCC |Sg:n:1,2,3::hh|
+*** Atropisomers ***
+atropisomer:
+C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4|
diff --git a/core/indigo-core/molecule/src/smiles_loader.cpp b/core/indigo-core/molecule/src/smiles_loader.cpp
@@ -429,7 +429,7 @@ void SmilesLoader::_readOtherStuff()
                 int idx = _scanner.readUnsigned();
                 if (_bmol->stereocenters.exists(idx))
                     _bmol->stereocenters.setType(idx, MoleculeStereocenters::ATOM_AND, groupno);
-                else 
+                else
                     _bmol->addStereocenters(idx, MoleculeStereocenters::ATOM_AND, groupno, false);
 
                 if (_scanner.lookNext() == ',')
@@ -2439,6 +2439,7 @@ void SmilesLoader::_loadMolecule()
 
     _parseMolecule();
     _loadParsedMolecule();
+    _validateStereoCenters();
 }
 
 void SmilesLoader::_readBond(Array<char>& bond_str, _BondDesc& bond, std::unique_ptr<QueryMolecule::Bond>& qbond)