Loading...
Searching...
No Matches
GraphMol Directory Reference

## Directories

| Abbreviations
| ChemReactions
| ChemTransforms
| CIPLabeler
| Depictor
| Deprotect
| Descriptors
| DetermineBonds
| DistGeomHelpers
| EnumerateStereoisomers
| FileParsers
| FilterCatalog
| Fingerprints
| FMCS
| ForceFieldHelpers
| FragCatalog
| GeneralizedSubstruct
| GenericGroups
| MarvinParse
| MMPA
| MolAlign
| MolCatalog
| MolChemicalFeatures
| MolDraw2D
| MolEnumerator
| MolHash
| MolInteractionFields
| MolInterchange
| MolProcessing
| MolStandardize
| MolTransforms
| PartialCharges
| RascalMCES
| ReducedGraphs
| RGroupDecomposition
| ScaffoldNetwork
| ShapeHelpers
| SLNParse
| SmilesParse
| StructChecker
| Subgraphs
| Substruct
| SubstructLibrary
| SynthonSpaceSearch
| TautomerQuery
| Trajectory

## Files

| Atom.h
| Defines the Atom class and associated typedefs.
| atomic_data.h
| No user-serviceable parts inside.
| AtomIterators.h
| various tools for iterating over a molecule's Atoms.
| Atropisomers.h
| Bond.h
| BondIterators.h
| various tools for iterating over a molecule's Bonds
| Canon.h
| Chirality.h
| Conformer.h
| details.h
| GraphMol.h
| pulls in RWMol and ROMol
| MolBundle.h
| Defines a class for managing bundles of molecules.
| MolOps.h
| MolPickler.h
| MonomerInfo.h
| Defines Monomer information classes.
| new_canon.h
| PeriodicTable.h
| QueryAtom.h
| QueryBond.h
| QueryOps.h
| RDKitBase.h
| pulls in the core `RDKit` functionality
| RDKitQueries.h
| pulls in the `RDKit` Query functionality
| Resonance.h
| RingInfo.h
| Rings.h
| utility functionality for working with ring systems
| ROMol.h
| Defines the primary molecule class `ROMol` as well as associated typedefs.
| RWMol.h
| Defines the editable molecule class `RWMol`.
| SanitException.h
| StereoGroup.h
| Defines the class StereoGroup which stores relationships between the absolute configurations of atoms within a structure.
| SubstanceGroup.h
| Defines the SubstanceGroup class.