RDKit::ExclusionList Class Reference

#include <FilterMatchers.h>

Inheritance diagram for RDKit::ExclusionList:

Public Member Functions
	ExclusionList ()
	ExclusionList (const std::vector< boost::shared_ptr< FilterMatcherBase >> &offPatterns)
virtual std::string	getName () const
bool	isValid () const
void	addPattern (const FilterMatcherBase &base)
void	setExclusionPatterns (const std::vector< boost::shared_ptr< FilterMatcherBase >> &offPatterns)
virtual bool	getMatches (const ROMol &mol, std::vector< FilterMatch > &) const
	getMatches More...
virtual bool	hasMatch (const ROMol &mol) const
	hasMatches More...
virtual boost::shared_ptr< FilterMatcherBase >	copy () const
	copy More...
Public Member Functions inherited from RDKit::FilterMatcherBase
	FilterMatcherBase (const std::string &name=DEFAULT_FILTERMATCHERBASE_NAME)
	FilterMatcherBase (const FilterMatcherBase &rhs)
virtual	~FilterMatcherBase ()
virtual boost::shared_ptr< FilterMatcherBase >	Clone () const
	Clone - deprecated. More...

Detailed Description

Definition at line 371 of file FilterMatchers.h.

Constructor & Destructor Documentation

ExclusionList() [1/2]

RDKit::ExclusionList::ExclusionList ( )

inline

Definition at line 375 of file FilterMatchers.h.

ExclusionList() [2/2]

RDKit::ExclusionList::ExclusionList ( const std::vector< boost::shared_ptr< FilterMatcherBase >> &  offPatterns )

inline

Constructs an ExclusionList true if non of the FilterMatcherBases are true Syntactic sugar for using FilterMatchOps; And(Not(SmartsMatcher(pat1), And(Not(SmartsMatcher(pat2)), And(Not(Single...

Definition at line 385 of file FilterMatchers.h.

Member Function Documentation

addPattern()

void RDKit::ExclusionList::addPattern ( const FilterMatcherBase &  base )

inline

Definition at line 405 of file FilterMatchers.h.

References RDKit::FilterMatcherBase::copy(), RDKit::FilterMatcherBase::isValid(), and PRECONDITION.

copy()

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

inlinevirtual

copy

Implements RDKit::FilterMatcherBase.

Definition at line 437 of file FilterMatchers.h.

getMatches()

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

inlinevirtual

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

Implements RDKit::FilterMatcherBase.

Definition at line 415 of file FilterMatchers.h.

References PRECONDITION.

getName()

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

inlinevirtual

Reimplemented from RDKit::FilterMatcherBase.

Definition at line 389 of file FilterMatchers.h.

References RDKit::FilterMatcherBase::getName().

hasMatch()

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

inlinevirtual

hasMatches

Does the given molecule contain this filter pattern

Parameters

mol	readonly const molecule being searched

Implements RDKit::FilterMatcherBase.

Definition at line 426 of file FilterMatchers.h.

References PRECONDITION.

isValid()

bool RDKit::ExclusionList::isValid ( ) const

inlinevirtual

Implements RDKit::FilterMatcherBase.

Definition at line 399 of file FilterMatchers.h.

setExclusionPatterns()

void RDKit::ExclusionList::setExclusionPatterns ( const std::vector< boost::shared_ptr< FilterMatcherBase >> &  offPatterns )

inline

Definition at line 410 of file FilterMatchers.h.

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

• FilterMatchers.h