Package rdkit :: Package Chem :: Module rdfiltercatalog :: Class FilterMatcherBase

Class FilterMatcherBase

 object --+    
          |    
??.instance --+
              |
             FilterMatcherBase

Known Subclasses:

Base class for matching molecules to filters.

 A FilterMatcherBase supplies the following API 
 - IsValid() returns True if the matcher is valid for use, False otherwise
 - HasMatch(mol) returns True if the molecule matches the filter
 - GetMatches(mol) -> [FilterMatch, FilterMatch] returns all the FilterMatch data
       that matches the molecule


print( FilterMatcherBase ) will print user-friendly information about the filter
Note that a FilterMatcherBase can be combined from may FilterMatcherBases
This is why GetMatches can return multiple FilterMatcherBases.
>>> from rdkit.Chem.FilterCatalog import *
>>> carbon_matcher = SmartsMatcher('Carbon', '[#6]', 0, 1)
>>> oxygen_matcher = SmartsMatcher('Oxygen', '[#8]', 0, 1)
>>> co_matcher = FilterMatchOps.Or(carbon_matcher, oxygen_matcher)
>>> mol = Chem.MolFromSmiles('C')
>>> matches = co_matcher.GetMatches(mol)
>>> len(matches)
1
>>> print(matches[0].filterMatch)
Carbon

Instance Methods

[hide private]

GetMatches(...)
GetMatches( (FilterMatcherBase)arg1, (Mol)mol) -> VectFilterMatch : Returns the list of matching subfilters mol matches any filter

GetName(...)
GetName( (FilterMatcherBase)arg1) -> str :

HasMatch(...)
HasMatch( (FilterMatcherBase)arg1, (Mol)mol) -> bool : Returns True if mol matches the filter

IsValid(...)
IsValid( (FilterMatcherBase)arg1) -> bool : Return True if the filter matcher is valid, False otherwise

__init__(...)
Raises an exception...

__reduce__(...)
helper for pickle

__str__(...)
__str__( (FilterMatcherBase)arg1) -> str :

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

GetMatches(...)


GetMatches( (FilterMatcherBase)arg1, (Mol)mol) -> VectFilterMatch :
    Returns the list of matching subfilters mol matches any filter

    C++ signature :
        std::vector<RDKit::FilterMatch, std::allocator<RDKit::FilterMatch> > GetMatches(RDKit::FilterMatcherBase {lvalue},RDKit::ROMol)

GetName(...)


GetName( (FilterMatcherBase)arg1) -> str :

    C++ signature :
        std::string GetName(RDKit::FilterMatcherBase {lvalue})

HasMatch(...)


HasMatch( (FilterMatcherBase)arg1, (Mol)mol) -> bool :
    Returns True if mol matches the filter

    C++ signature :
        bool HasMatch(RDKit::FilterMatcherBase {lvalue},RDKit::ROMol)

IsValid(...)


IsValid( (FilterMatcherBase)arg1) -> bool :
    Return True if the filter matcher is valid, False otherwise

    C++ signature :
        bool IsValid(RDKit::FilterMatcherBase {lvalue})

init(...)
(Constructor)

Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

str(...)
(Informal representation operator)


__str__( (FilterMatcherBase)arg1) -> str :

    C++ signature :
        std::string __str__(RDKit::FilterMatcherBase {lvalue})

Overrides: object.__str__

Class FilterMatcherBase

GetMatches(...)

GetName(...)

HasMatch(...)

IsValid(...)

__init__(...) (Constructor)

__reduce__(...)

__str__(...) (Informal representation operator)

init(...)
(Constructor)

reduce(...)

str(...)
(Informal representation operator)