RDKit
Open-source cheminformatics and machine learning.
|
#include <FilterMatchers.h>
Public Member Functions | |
Not () | |
Not (const FilterMatcherBase &arg1) | |
Not (boost::shared_ptr< FilterMatcherBase > arg1) | |
Not (const Not &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 > &) 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 188 of file FilterMatchers.h.
|
inline |
Definition at line 193 of file FilterMatchers.h.
|
inline |
Constructs a Noter true if arg1 is false (note, never returns matches from getMatches since a false internal match matches nothing!
Definition at line 199 of file FilterMatchers.h.
|
inline |
Definition at line 202 of file FilterMatchers.h.
Definition at line 205 of file FilterMatchers.h.
|
inlineoverridevirtual |
copy copies the current FilterMatcherBase into one that can be passed around safely.
Implements RDKit::FilterMatcherBase.
Definition at line 226 of file FilterMatchers.h.
|
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 218 of file FilterMatchers.h.
References PRECONDITION.
|
inlineoverridevirtual |
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 207 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 213 of file FilterMatchers.h.
References PRECONDITION.
|
inlineoverridevirtual |
Implements RDKit::FilterMatcherBase.
Definition at line 211 of file FilterMatchers.h.