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Searched refs:removeAndTrackIsotopes (Results 1 – 7 of 7) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DAddHs.cpp760 if (ps.removeAndTrackIsotopes) { in removeHs()
772 psCopy.removeAndTrackIsotopes = false; in removeHs()
780 if (ps.removeAndTrackIsotopes) { in removeHs()
805 if (!ps.removeIsotopes && !ps.removeAndTrackIsotopes && in removeHs()
H A DMolOps.h256 bool removeAndTrackIsotopes = false; /**< removes hydrogens with non-default member
H A Dmolopstest.cpp7714 ps.removeAndTrackIsotopes = true; in testRemoveAndTrackIsotopes()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolStandardize/Wrap/
H A DtestMolStandardize.py464 params.removeAndTrackIsotopes = True
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolStandardize/
H A DtestTautomer.cpp497 hparams.removeAndTrackIsotopes = true; in testEnumeratorParams()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/
H A DMolOps.cpp1145 &MolOps::RemoveHsParameters::removeAndTrackIsotopes, in wrap()
H A Drough_test.py5912 ps.removeAndTrackIsotopes = True