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