Directories | |
| directory | ChemReactions |
| directory | ChemTransforms |
| directory | Depictor |
| directory | Descriptors |
| directory | DistGeomHelpers |
| directory | FileParsers |
| directory | Fingerprints |
| directory | ForceFieldHelpers |
| directory | FragCatalog |
| directory | MolAlign |
| directory | MolCatalog |
| directory | MolChemicalFeatures |
| directory | MolTransforms |
| directory | PartialCharges |
| directory | ShapeHelpers |
| directory | SmilesParse |
| directory | Subgraphs |
| directory | Substruct |
Files | |
| file | Atom.h [code] |
| Defines the Atom class and associated typedefs. | |
| file | atomic_data.h [code] |
| No user-serviceable parts inside. | |
| file | AtomIterators.h [code] |
| various tools for iterating over a molecule's Atoms. | |
| file | AtomProps.h [code] |
| No user-serviceable parts inside. | |
| file | Bond.h [code] |
| file | BondIterators.h [code] |
| various tools for iterating over a molecule's Bonds | |
| file | BondProps.h [code] |
| No user-serviceable parts inside. | |
| file | Canon.h [code] |
| file | Chirality.h [code] |
| Not intended for client-code use. | |
| file | Conformer.h [code] |
| file | GraphMol.h [code] |
| pulls in RWMol and ROMol | |
| file | MolOps.h [code] |
| file | MolPickler.h [code] |
| file | PeriodicTable.h [code] |
| file | QueryAtom.h [code] |
| file | QueryBond.h [code] |
| file | QueryOps.h [code] |
| file | RankAtoms.h [code] |
| file | RDKitBase.h [code] |
pulls in the core RDKit functionality | |
| file | RDKitQueries.h [code] |
pulls in the RDKit Query functionality | |
| file | RingInfo.h [code] |
| file | Rings.h [code] |
| utility functionality for working with ring systems | |
| file | ROMol.h [code] |
Defines the primary molecule class ROMol as well as associated typedefs. | |
| file | RWMol.h [code] |
Defines the editable molecule class RWMol. | |
| file | SanitException.h [code] |
1.5.5