RDKit::FilterMatcherBase Class Reference

#include <FilterMatcherBase.h>

Inheritance diagram for RDKit::FilterMatcherBase:

Public Member Functions
	FilterMatcherBase (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
virtual bool	hasMatch (const ROMol &mol) const =0
	hasMatches
virtual boost::shared_ptr< FilterMatcherBase >	Clone () const
virtual boost::shared_ptr< FilterMatcherBase >	copy () const =0

Detailed Description

Definition at line 75 of file FilterMatcherBase.h.

Constructor & Destructor Documentation

FilterMatcherBase() [1/2]

RDKit::FilterMatcherBase::FilterMatcherBase ( std::string name = DEFAULT_FILTERMATCHERBASE_NAME )

inline

Definition at line 82 of file FilterMatcherBase.h.

References RDKit::DEFAULT_FILTERMATCHERBASE_NAME, and FilterMatcherBase().

Referenced by RDKit::ExclusionList::addPattern(), RDKit::FilterMatchOps::And::And(), RDKit::FilterMatchOps::And::And(), RDKit::FilterMatchOps::And::And(), RDKit::FilterMatchOps::And::And(), RDKit::ExclusionList::ExclusionList(), RDKit::ExclusionList::ExclusionList(), RDKit::FilterHierarchyMatcher::FilterHierarchyMatcher(), RDKit::FilterHierarchyMatcher::FilterHierarchyMatcher(), FilterMatcherBase(), FilterMatcherBase(), RDKit::FilterMatchOps::Not::Not(), RDKit::FilterMatchOps::Not::Not(), RDKit::FilterMatchOps::Not::Not(), RDKit::FilterMatchOps::Not::Not(), RDKit::FilterMatchOps::Or::Or(), RDKit::FilterMatchOps::Or::Or(), RDKit::FilterMatchOps::Or::Or(), RDKit::FilterMatchOps::Or::Or(), RDKit::FilterHierarchyMatcher::setPattern(), and RDKit::SmartsMatcher::SmartsMatcher().

FilterMatcherBase() [2/2]

RDKit::FilterMatcherBase::FilterMatcherBase ( const FilterMatcherBase & rhs )

inline

Definition at line 86 of file FilterMatcherBase.h.

References FilterMatcherBase().

~FilterMatcherBase()

virtual RDKit::FilterMatcherBase::~FilterMatcherBase ( )

inlinevirtual

Definition at line 90 of file FilterMatcherBase.h.

Member Function Documentation

Clone()

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

inlinevirtual

Clone - deprecated Clones the current FilterMatcherBase into one that can be passed around safely.

Definition at line 121 of file FilterMatcherBase.h.

References BOOST_LOG, copy(), and rdWarningLog.

copy()

virtual boost::shared_ptr< FilterMatcherBase > RDKit::FilterMatcherBase::copy ( ) const

pure virtual

copy copies the current FilterMatcherBase into one that can be passed around safely.

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

Referenced by RDKit::ExclusionList::addPattern(), Clone(), and RDKit::FilterHierarchyMatcher::setPattern().

getMatches()

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

pure virtual

getMatches

Match the filter against a molecule

Parameters

mol	readonly const molecule being searched
matches	output vector of atom index matches found in the molecule

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

getName()

virtual std::string RDKit::FilterMatcherBase::getName ( ) const

inlinevirtual

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

Definition at line 94 of file FilterMatcherBase.h.

Referenced by RDKit::ExclusionList::getName(), RDKit::FilterMatchOps::And::getName(), RDKit::FilterMatchOps::Not::getName(), and RDKit::FilterMatchOps::Or::getName().

hasMatch()

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

pure virtual

hasMatches

Does the given molecule contain this filter pattern

Parameters

mol	readonly const molecule being searched

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

isValid()

virtual bool RDKit::FilterMatcherBase::isValid ( ) const

pure virtual

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

Referenced by RDKit::ExclusionList::addPattern(), and RDKit::FilterHierarchyMatcher::setPattern().

---

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

• FilterMatcherBase.h