Chem.rdchem

Package Chem :: Module rdchem |
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# Module rdchem

    Module containing the core chemistry functionality of the RDKit

Classes | [hide private]
| Atom The class to store Atoms.
| Bond The class to store Bonds.
| Conformer The class to store 2D or 3D conformation of a molecule
| EditableMol an editable molecule class
| Mol The Molecule class.
| PeriodicTable A class which stores information from the Periodic Table.
| RingInfo contains information about a molecule's rings
| _ROAtomSeq Read-only sequence of atoms, not constructable from Python.
| _ROBondSeq Read-only sequence of bonds, not constructable from Python.
| _listPN5RDKit4AtomE
| _listPN5RDKit4BondE

Functions | [hide private]
GetPeriodicTable(...) Returns the application's PeriodicTable instance. | source code
_HasSubstructMatchStr(...) This function is included to speed substructure queries from databases, it's probably not of general interest. | source code
tossit(...) C++ signature:... | source code

Function Details | [hide private]

### GetPeriodicTable(...) | source code
    Returns the application's PeriodicTable instance.

    C++ signature:
        GetPeriodicTable(void) -> RDKit::PeriodicTable*

### _HasSubstructMatchStr(...) | source code
    This function is included to speed substructure queries from databases,
    it's probably not of
    general interest.

      ARGUMENTS:
        - pkl: a Molecule pickle

        - query: a Molecule

        - recursionPossible: (optional)

        - useChirality: (optional)

      RETURNS: 1 or 0

    C++ signature:
        _HasSubstructMatchStr(std::string pkl, RDKit::ROMol query, bool recursionPossible=True, bool useChirality=False) -> bool

### tossit(...) | source code
    C++ signature:
    tossit(void) -> void*