Stereo bonds are flipped when applying a stereo center type
- Dominant language
- C++
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- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
Stereo bonds are flipped when applying a stereocenter type:
IndigoObject mol = indigo.loadMolecule("AbsoluteStereo.mol");
foreach (IndigoObject atom in mol.iterateStereocenters())
{
atom.ChangeStereocenterType(INDIGO_AND);
}
Input chemistry:
After changing the stereo center type to AND the stereo bonds are flipped:
Same things happen when changing the stereo center type to ABS:
IndigoObject mol = indigo.loadMolecule("RelativeStereo.mol");
foreach (IndigoObject atom in mol.iterateStereocenters())
{
atom.ChangeStereocenterType(INDIGO_ABS);
}
Input chemistry:
Output chemistry:
File are attached:
[AbsoluteStereo.zip](https://github.com/epam/Indigo/files/6172977/AbsoluteStereo.zip)
[RelativeStereo.zip](https://github.com/epam/Indigo/files/6172979/RelativeStereo.zip)
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