Package rdkit :: 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.
  AtomMonomerInfo
The class to store monomer information attached to Atoms
  AtomMonomerType
  AtomPDBResidueInfo
The class to store PDB residue information attached to Atoms
  Bond
The class to store Bonds.
  BondDir
  BondStereo
  BondType
  ChiralType
  CompositeQueryType
  Conformer
The class to store 2D or 3D conformation of a molecule
  EditableMol
an editable molecule class
  HybridizationType
  Mol
The Molecule class.
  PeriodicTable
A class which stores information from the Periodic Table.
  QueryAtom
The class to store QueryAtoms.
  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.
  _ROQAtomSeq
Read-only sequence of atoms matching a query, not constructable from Python.
  _listPN5RDKit4AtomE
  _listPN5RDKit4BondE
Functions [hide private]
PeriodicTable :

GetPeriodicTable()
Returns the application's PeriodicTable instance.
 
_HasSubstructMatchStr(...)
_HasSubstructMatchStr( (str)pkl, (Mol)query [, (bool)recursionPossible=True [, (bool)useChirality=False]]) -> bool : This function is included to speed substructure queries from databases, it's probably not of general interest.
None :

tossit()
C++ signature :...
Variables [hide private]
  __package__ = None
hash(x)
Function Details [hide private]

GetPeriodicTable()

 
    Returns the application's PeriodicTable instance.
    
    

    C++ signature :
        RDKit::PeriodicTable* GetPeriodicTable()

Returns:
PeriodicTable :

_HasSubstructMatchStr(...)

 

_HasSubstructMatchStr( (str)pkl, (Mol)query [, (bool)recursionPossible=True [, (bool)useChirality=False]]) -> bool :
    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 :
        bool _HasSubstructMatchStr(std::string,RDKit::ROMol [,bool=True [,bool=False]])

tossit()

 
    C++ signature :
        void tossit()

Returns:
None :