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RDKit
Open-source cheminformatics and machine learning.
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#include <FilterMatchers.h>
Public Member Functions | |
And () | |
And (const FilterMatcherBase &arg1, const FilterMatcherBase &arg2) | |
And (const boost::shared_ptr< FilterMatcherBase > &arg1, const boost::shared_ptr< FilterMatcherBase > &arg2) | |
And (const And &rhs) | |
virtual std::string | getName () const |
bool | isValid () const |
bool | hasMatch (const ROMol &mol) const |
hasMatches More... | |
bool | getMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const |
getMatches More... | |
boost::shared_ptr< FilterMatcherBase > | Clone () const |
Clone. More... | |
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FilterMatcherBase (const std::string &name=DEFAULT_FILTERMATCHERBASE_NAME) | |
FilterMatcherBase (const FilterMatcherBase &rhs) | |
virtual | ~FilterMatcherBase () |
Definition at line 49 of file FilterMatchers.h.
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inline |
Definition at line 55 of file FilterMatchers.h.
Referenced by Clone().
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inline |
Constructs an Ander True if arg1 and arg2 FilterMatchers are true
Definition at line 60 of file FilterMatchers.h.
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inline |
Definition at line 63 of file FilterMatchers.h.
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inline |
Definition at line 67 of file FilterMatchers.h.
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inlinevirtual |
Clone.
Implements RDKit::FilterMatcherBase.
Definition at line 96 of file FilterMatchers.h.
References And(), and RDUNUSED_PARAM.
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inlinevirtual |
getMatches
Match the filter against a molecule
mol | readonly const molecule being searched |
matches | output vector of atom index matches found in the molecule |
Implements RDKit::FilterMatcherBase.
Definition at line 85 of file FilterMatchers.h.
References isValid(), and PRECONDITION.
Referenced by RDKit::SmartsMatcher::setMaxCount().
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inlinevirtual |
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 70 of file FilterMatchers.h.
References RDKit::FilterMatcherBase::getName().
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inlinevirtual |
hasMatches
Does the given molecule contain this filter pattern
mol | readonly const molecule being searched |
Implements RDKit::FilterMatcherBase.
Definition at line 79 of file FilterMatchers.h.
References isValid(), and PRECONDITION.
Referenced by RDKit::SmartsMatcher::setMaxCount().
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inlinevirtual |
Implements RDKit::FilterMatcherBase.
Definition at line 75 of file FilterMatchers.h.
Referenced by getMatches(), RDKit::FilterMatchOps::Or::getMatches(), RDKit::FilterMatchOps::Not::getMatches(), RDKit::ExclusionList::getMatches(), hasMatch(), RDKit::FilterMatchOps::Or::hasMatch(), RDKit::FilterMatchOps::Not::hasMatch(), RDKit::ExclusionList::hasMatch(), and RDKit::ExclusionList::isValid().