RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

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MolData3Ddescriptors Member List

This is the complete list of members for MolData3Ddescriptors, including all inherited members.

GetCharges(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetCustomAtomProp(const RDKit::ROMol &mol, const std::string &customAtomPropName) | MolData3Ddescriptors |
GetEState(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetEState2(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetIState(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetIStateDrag(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetPrincipalQuantumNumber(int AtomicNum) | MolData3Ddescriptors |
GetRelativeENeg(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetRelativeIonPol(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetRelativeMW(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetRelativePol(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetRelativeRcov(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetRelativeVdW(const RDKit::ROMol &mol) | MolData3Ddescriptors |
GetUn(int numAtoms) | MolData3Ddescriptors |
MolData3Ddescriptors() | MolData3Ddescriptors |