RDKit
Open-source cheminformatics and machine learning.
RDKit::FilterMatcherBase Class Referenceabstract

#include <FilterMatcherBase.h>

Inheritance diagram for RDKit::FilterMatcherBase:
RDKit::ExclusionList RDKit::FilterHierarchyMatcher RDKit::FilterMatchOps::And RDKit::FilterMatchOps::Not RDKit::FilterMatchOps::Or RDKit::SmartsMatcher

Public Member Functions

 FilterMatcherBase (const std::string &name=DEFAULT_FILTERMATCHERBASE_NAME)
 
 FilterMatcherBase (const FilterMatcherBase &rhs)
 
virtual ~FilterMatcherBase ()
 
virtual bool isValid () const =0
 
virtual std::string getName () const
 
virtual bool getMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const =0
 getMatches More...
 
virtual bool hasMatch (const ROMol &mol) const =0
 hasMatches More...
 
virtual boost::shared_ptr< FilterMatcherBaseClone () const
 Clone - deprecated. More...
 
virtual boost::shared_ptr< FilterMatcherBasecopy () const =0
 copy More...
 

Detailed Description

Definition at line 76 of file FilterMatcherBase.h.

Constructor & Destructor Documentation

RDKit::FilterMatcherBase::FilterMatcherBase ( const std::string &  name = DEFAULT_FILTERMATCHERBASE_NAME)
inline

Definition at line 83 of file FilterMatcherBase.h.

RDKit::FilterMatcherBase::FilterMatcherBase ( const FilterMatcherBase rhs)
inline

Definition at line 87 of file FilterMatcherBase.h.

virtual RDKit::FilterMatcherBase::~FilterMatcherBase ( )
inlinevirtual

Definition at line 91 of file FilterMatcherBase.h.

Member Function Documentation

virtual boost::shared_ptr<FilterMatcherBase> RDKit::FilterMatcherBase::Clone ( ) const
inlinevirtual

Clone - deprecated.

Definition at line 122 of file FilterMatcherBase.h.

References BOOST_LOG, RDUNUSED_PARAM, and rdWarningLog.

virtual bool RDKit::FilterMatcherBase::getMatches ( const ROMol mol,
std::vector< FilterMatch > &  matchVect 
) const
pure virtual

getMatches

Match the filter against a molecule

Parameters
molreadonly const molecule being searched
matchesoutput vector of atom index matches found in the molecule

Implemented in RDKit::FilterHierarchyMatcher, RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.

virtual bool RDKit::FilterMatcherBase::hasMatch ( const ROMol mol) const
pure virtual

hasMatches

Does the given molecule contain this filter pattern

Parameters
molreadonly const molecule being searched

Implemented in RDKit::FilterHierarchyMatcher, RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.


The documentation for this class was generated from the following file: