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In [48]: m = Chem.MolFromSmiles('C[C@H]1CC[C@H](C)CC1')
In [49]: for si in Chem.FindPotentialStereo(m,cleanIt=True,flagPossible=True):
...: print(si.centeredOn,si.specified)
...:
1 Specified
4 Specified
In [50]: m = Chem.MolFromSmiles('C[C@H]1CC[C@H](C)CC1')
In [51]: for si in Chem.FindPotentialStereo(m,cleanIt=True,flagPossible=False):
...: print(si.centeredOn,si.specified)
...:
In [52]:
Expected behavior
both versions of the call should return the same results
Configuration (please complete the following information):
RDKit version: 2021.03 and master
OS: all
The text was updated successfully, but these errors were encountered:
…ystems (#4280)
* add the tests
* backup
* cleanup
* Fixes#4279
* additional testing
* revert the changes to Chirality.cpp
they didn't solve the problem anyway
To Reproduce
Expected behavior
both versions of the call should return the same results
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: