RDKit::ExclusionList Class Reference

#include <FilterMatchers.h>

Inheritance diagram for RDKit::ExclusionList:

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

Detailed Description

Definition at line 383 of file FilterMatchers.h.

Constructor & Destructor Documentation

ExclusionList() [1/2]

RDKit::ExclusionList::ExclusionList ( )

inline

Definition at line 387 of file FilterMatchers.h.

ExclusionList() [2/2]

RDKit::ExclusionList::ExclusionList ( 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 397 of file FilterMatchers.h.

Member Function Documentation

addPattern()

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

inline

Definition at line 420 of file FilterMatchers.h.

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

copy()

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

inlineoverridevirtual

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

Implements RDKit::FilterMatcherBase.

Definition at line 452 of file FilterMatchers.h.

getMatches()

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

inlineoverridevirtual

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 430 of file FilterMatchers.h.

References PRECONDITION.

getName()

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

inlineoverridevirtual

Reimplemented from RDKit::FilterMatcherBase.

Definition at line 401 of file FilterMatchers.h.

hasMatch()

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

inlineoverridevirtual

hasMatches

Does the given molecule contain this filter pattern

Parameters

mol	readonly const molecule being searched

Implements RDKit::FilterMatcherBase.

Definition at line 441 of file FilterMatchers.h.

References PRECONDITION.

isValid()

bool RDKit::ExclusionList::isValid ( ) const

inlineoverridevirtual

Implements RDKit::FilterMatcherBase.

Definition at line 411 of file FilterMatchers.h.

setExclusionPatterns()

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

inline

Definition at line 425 of file FilterMatchers.h.

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

• FilterMatchers.h