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 | |
bool | getMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const override |
getMatches | |
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 |
Definition at line 128 of file FilterMatchers.h.
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inline |
Definition at line 134 of file FilterMatchers.h.
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inline |
Constructs or Ander true if arg1 or arg2 are true
Definition at line 138 of file FilterMatchers.h.
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inline |
Definition at line 141 of file FilterMatchers.h.
Definition at line 145 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 172 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 161 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 147 of file FilterMatchers.h.
hasMatches
Does the given molecule contain this filter pattern
mol | readonly const molecule being searched |
Implements RDKit::FilterMatcherBase.
Definition at line 156 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Implements RDKit::FilterMatcherBase.
Definition at line 152 of file FilterMatchers.h.