Package rdkit :: Package Chem :: Module rdfiltercatalog
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Module rdfiltercatalog

Classes [hide private]
  ExclusionList
  FilterCatalog
  FilterCatalogEntry
FilterCatalogEntry A filter catalog entry is an entry in a filter catalog.
  FilterCatalogEntryList
  FilterCatalogParams
  FilterHierarchyMatcher
Hierarchical Filter basic constructors: FilterHierarchyMatcher( matcher ) where can be any FilterMatcherBase (SmartsMatcher, etc) FilterHierarchyMatcher's have children and can form matching trees.
  FilterMatch
Object that holds the result of running FilterMatcherBase::GetMatches
  FilterMatcherBase
Base class for matching molecules to filters.
  IntPair
  MatchTypeVect
  MolList
  PythonFilterMatcher
  SmartsMatcher
Smarts Matcher Filter basic constructors: SmartsMatcher( name, smarts_pattern, minCount=1, maxCount=UINT_MAX ) SmartsMatcher( name, molecule, minCount=1, maxCount=UINT_MAX )
  VectFilterMatch
Functions [hide private]
bool :

FilterCatalogCanSerialize()
Returns True if the FilterCatalog is serializable (requires boost serialization
 
GetFlattenedFunctionalGroupHierarchy(...)
GetFlattenedFunctionalGroupHierarchy([ (bool)normalized=False]) -> dict : Returns the flattened functional group hierarchy as a dictionary of name:ROMOL_SPTR substructure items
FilterCatalog :

GetFunctionalGroupHierarchy()
Returns the functional group hierarchy filter catalog
Variables [hide private]
  __package__ = None
hash(x)

Imports: FilterMatchOps


Function Details [hide private]

FilterCatalogCanSerialize()

 
    Returns True if the FilterCatalog is serializable (requires boost serialization

    C++ signature :
        bool FilterCatalogCanSerialize()

Returns:
bool :

GetFlattenedFunctionalGroupHierarchy(...)

 

GetFlattenedFunctionalGroupHierarchy([  (bool)normalized=False]) -> dict :
    Returns the flattened functional group hierarchy as a dictionary  of name:ROMOL_SPTR substructure items

    C++ signature :
        boost::python::dict GetFlattenedFunctionalGroupHierarchy([ bool=False])

GetFunctionalGroupHierarchy()

 
    Returns the functional group hierarchy filter catalog

    C++ signature :
        RDKit::FilterCatalog GetFunctionalGroupHierarchy()

Returns:
FilterCatalog :