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

/dports/science/rdkit/rdkit-Release_2021_03_5/rdkit/Chem/Fraggle/
H A DFraggleSim.py96 Chem.SanitizeFlags.SANITIZE_SYMMRINGS)
181 Chem.SanitizeMol(mol, Chem.SanitizeFlags.SANITIZE_SYMMRINGS)
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DMolOps.h447 SANITIZE_SYMMRINGS = 0x4, enumerator
H A DAdjustQuery.cpp349 sanitizeMol(mol, failed, SANITIZE_SYMMRINGS | SANITIZE_SETAROMATICITY); in adjustQueryProperties()
H A DMolOps.cpp342 operationThatFailed = SANITIZE_SYMMRINGS; in sanitizeMol()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/
H A DMolOps.cpp902 .value("SANITIZE_SYMMRINGS", MolOps::SANITIZE_SYMMRINGS) in wrap()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.cpp2480 MolOps::SANITIZE_SYMMRINGS | MolOps::SANITIZE_KEKULIZE | in sanitizeMMFFMol()
/dports/science/rdkit/rdkit-Release_2021_03_5/Docs/Book/
H A DCookbook.rst1710 …ON|Chem.SanitizeFlags.SANITIZE_SETHYBRIDIZATION|Chem.SanitizeFlags.SANITIZE_SYMMRINGS,catchErrors=…