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RDKit
Open-source cheminformatics and machine learning.
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#include <FilterMatchers.h>
Public Member Functions | |
Or () | |
Or (const FilterMatcherBase &arg1, const FilterMatcherBase &arg2) | |
Or (boost::shared_ptr< FilterMatcherBase > arg1, boost::shared_ptr< FilterMatcherBase > arg2) | |
Or (const Or &rhs) | |
std::string | getName () const override |
bool | isValid () const override |
bool | hasMatch (const ROMol &mol) const override |
hasMatches More... | |
bool | getMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const override |
getMatches More... | |
boost::shared_ptr< FilterMatcherBase > | copy () const override |
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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 More... | |
virtual bool | hasMatch (const ROMol &mol) const =0 |
hasMatches More... | |
virtual boost::shared_ptr< FilterMatcherBase > | Clone () const |
virtual boost::shared_ptr< FilterMatcherBase > | copy () const =0 |
Definition at line 122 of file FilterMatchers.h.
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inline |
Definition at line 128 of file FilterMatchers.h.
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inline |
Constructs or Ander true if arg1 or arg2 are true
Definition at line 132 of file FilterMatchers.h.
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inline |
Definition at line 135 of file FilterMatchers.h.
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inline |
Definition at line 139 of file FilterMatchers.h.
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inlineoverridevirtual |
copy copies the current FilterMatcherBase into one that can be passed around safely.
Implements RDKit::FilterMatcherBase.
Definition at line 166 of file FilterMatchers.h.
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inlineoverridevirtual |
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 155 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 141 of file FilterMatchers.h.
References RDKit::FilterMatcherBase::getName().
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inlineoverridevirtual |
hasMatches
Does the given molecule contain this filter pattern
mol | readonly const molecule being searched |
Implements RDKit::FilterMatcherBase.
Definition at line 150 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Implements RDKit::FilterMatcherBase.
Definition at line 146 of file FilterMatchers.h.