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RDKit
Open-source cheminformatics and machine learning.
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#include <FilterMatcherBase.h>
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< FilterMatcherBase > | Clone () const =0 |
Clone. More... | |
Definition at line 69 of file FilterMatcherBase.h.
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inline |
Definition at line 76 of file FilterMatcherBase.h.
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inline |
Definition at line 80 of file FilterMatcherBase.h.
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inlinevirtual |
Definition at line 84 of file FilterMatcherBase.h.
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pure virtual |
Clone.
Implemented in RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.
Referenced by RDKit::ExclusionList::addPattern().
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pure virtual |
getMatches
Match the filter against a molecule
mol | readonly const molecule being searched |
matches | output vector of atom index matches found in the molecule |
Implemented in RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.
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inlinevirtual |
Reimplemented in RDKit::ExclusionList, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.
Definition at line 88 of file FilterMatcherBase.h.
References RDUNUSED_PARAM.
Referenced by RDKit::FilterMatchOps::And::getName(), RDKit::FilterMatchOps::Or::getName(), RDKit::FilterMatchOps::Not::getName(), and RDKit::ExclusionList::getName().
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pure virtual |
hasMatches
Does the given molecule contain this filter pattern
mol | readonly const molecule being searched |
Implemented in RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.
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pure virtual |
Implemented in RDKit::ExclusionList, RDKit::SmartsMatcher, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, and RDKit::FilterMatchOps::And.
Referenced by RDKit::ExclusionList::addPattern().