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 (boost::shared_ptr< FilterMatcherBase > arg1, boost::shared_ptr< FilterMatcherBase > arg2) | |
And (const And &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 60 of file FilterMatchers.h.
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inline |
Definition at line 66 of file FilterMatchers.h.
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inline |
Constructs an Ander True if arg1 and arg2 FilterMatchers are true
Definition at line 71 of file FilterMatchers.h.
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inline |
Definition at line 74 of file FilterMatchers.h.
Definition at line 80 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 110 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 98 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 83 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 92 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
Implements RDKit::FilterMatcherBase.
Definition at line 88 of file FilterMatchers.h.