rdkit.Chem.rdfiltercatalog

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 :