Package rdkit :: Package Chem :: Module rdSubstructLibrary
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Module rdSubstructLibrary

Classes [hide private]
  CachedMolHolder
Holds molecules in their binary representation.
  CachedSmilesMolHolder
Holds molecules as smiles string This allows more molecules to be held in memory at a time AddMol(mol) -> adds a molecule to the molecule holder, returns index of molecule AddSmiles(smiles) -> adds a smiles string to the molecule holder, returns index of molecule The smiles is stored as-is, no checking is done for validity.
  CachedTrustedSmilesMolHolder
Holds molecules as trusted smiles string This allows more molecules to be held in memory at a time and avoids RDKit sanitization overhead See: http://rdkit.blogspot.com/2016/09/avoiding-unnecessary-work-and.html AddMol(mol) -> adds a molecule to the molecule holder, returns index of molecule AddSmiles(smiles) -> adds a smiles string to the molecule holder, returns index of molecule The smiles is stored as-is, no checking is done for validity.
  FPHolderBase
  MolHolder
Holds raw in-memory molecules...
  MolHolderBase
  PatternHolder
Holds fingerprints used for filtering of molecules.
  SubstructLibrary
SubstructLibrary: This provides a simple API for substructure searching large datasets The SubstructLibrary takes full advantage of available threads during the search operation.
Variables [hide private]
  __package__ = None
hash(x)