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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 |