RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::RGroupData, including all inherited members.
add(const ROMOL_SPTR &newMol, const std::vector< int > &rlabel_attachments) | RDKit::RGroupData | |
attachments | RDKit::RGroupData | |
combinedMol | RDKit::RGroupData | |
fingerprint | RDKit::RGroupData | |
fingerprintOnBits | RDKit::RGroupData | |
getCoreLabel() | RDKit::RGroupData | static |
getMolLabel() | RDKit::RGroupData | static |
getNumBondsToRlabels() const | RDKit::RGroupData | |
getRGroupLabel(int rlabel) | RDKit::RGroupData | static |
is_hydrogen | RDKit::RGroupData | |
is_linker | RDKit::RGroupData | |
isMolHydrogen(const ROMol &mol) | RDKit::RGroupData | static |
labelled | RDKit::RGroupData | |
mols | RDKit::RGroupData | |
RGroupData() | RDKit::RGroupData | inline |
single_fragment | RDKit::RGroupData | |
smiles | RDKit::RGroupData | |
smilesVect | RDKit::RGroupData | |
toString() const | RDKit::RGroupData |