![]() |
RDKit
Open-source cheminformatics and machine learning.
|
#include <QueryOps.h>
Public Member Functions | |
AtomRingQuery () | |
AtomRingQuery (int v) | |
virtual bool | Match (const ConstAtomPtr what) const |
Queries::Query< int, ConstAtomPtr, true > * | copy () const |
returns a copy of this query More... | |
![]() | |
EqualityQuery () | |
EqualityQuery (intv) | |
constructs with our target value More... | |
EqualityQuery (intv, intt) | |
constructs with our target value and a tolerance More... | |
void | setVal (intwhat) |
sets our target value More... | |
const int | getVal () const |
returns our target value More... | |
void | setTol (intwhat) |
sets our tolerance More... | |
const int | getTol () const |
returns out tolerance More... | |
virtual bool | Match (const ConstAtomPtrwhat) const |
returns whether or not we match the argument More... | |
std::string | getFullDescription () const |
returns a fuller text description More... | |
![]() | |
Query () | |
virtual | ~Query () |
void | setNegation (bool what) |
sets whether or not we are negated More... | |
bool | getNegation () const |
returns whether or not we are negated More... | |
void | setDescription (const std::string &descr) |
sets our text description More... | |
void | setDescription (const char *descr) |
const std::string & | getDescription () const |
returns our text description More... | |
void | setMatchFunc (bool(*what)(int)) |
sets our match function More... | |
void | setDataFunc (int(*what)(ConstAtomPtr)) |
sets our data function More... | |
void | addChild (CHILD_TYPE child) |
adds a child to our list of children More... | |
CHILD_VECT_CI | beginChildren () const |
returns an iterator for the beginning of our child vector More... | |
CHILD_VECT_CI | endChildren () const |
returns an iterator for the end of our child vector More... | |
Additional Inherited Members | |
![]() | |
typedef boost::shared_ptr< Query< int, ConstAtomPtr, needsConversion > > | CHILD_TYPE |
typedef std::vector< CHILD_TYPE > | CHILD_VECT |
typedef CHILD_VECT::iterator | CHILD_VECT_I |
typedef CHILD_VECT::const_iterator | CHILD_VECT_CI |
![]() | |
bool(*)(int) | getMatchFunc () const |
returns our match function: More... | |
int(*)(ConstAtomPtr) | getDataFunc () const |
returns our data function: More... | |
![]() | |
int | TypeConvert (intwhat, Int2Type< false >) const |
calls our dataFunc (if it's set) on what and returns the result, otherwise returns what More... | |
int | TypeConvert (ConstAtomPtrwhat, Int2Type< true >) const |
calls our dataFunc (which must be set) on what and returns the result More... | |
![]() | |
int | d_val |
int | d_tol |
![]() | |
std::string | d_description |
CHILD_VECT | d_children |
bool | df_negate |
bool(* | d_matchFunc )(int) |
int(* | d_dataFunc )(ConstAtomPtr) |
Definition at line 376 of file QueryOps.h.
|
inline |
Definition at line 378 of file QueryOps.h.
References RDKit::queryAtomRingMembership(), Queries::Query< int, ConstAtomPtr, needsConversion >::setDataFunc(), and Queries::Query< int, ConstAtomPtr, needsConversion >::setDescription().
Referenced by copy().
|
inlineexplicit |
Definition at line 383 of file QueryOps.h.
References RDKit::queryAtomRingMembership(), Queries::Query< int, ConstAtomPtr, needsConversion >::setDataFunc(), and Queries::Query< int, ConstAtomPtr, needsConversion >::setDescription().
|
inlinevirtual |
returns a copy of this query
Reimplemented from Queries::EqualityQuery< int, ConstAtomPtr, true >.
Definition at line 405 of file QueryOps.h.
References AtomRingQuery(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFunc, Queries::Query< int, ConstAtomPtr, needsConversion >::d_dataFunc, Queries::Query< int, ConstAtomPtr, needsConversion >::d_description, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::EqualityQuery< int, ConstAtomPtr, true >::d_val, Queries::Query< int, ConstAtomPtr, needsConversion >::getNegation(), Queries::EqualityQuery< int, ConstAtomPtr, true >::getTol(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setNegation(), and Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::setTol().
|
inlinevirtual |
Definition at line 389 of file QueryOps.h.
References Queries::EqualityQuery< int, ConstAtomPtr, true >::d_tol, Queries::EqualityQuery< int, ConstAtomPtr, true >::d_val, Queries::Query< int, ConstAtomPtr, needsConversion >::getNegation(), Queries::queryCmp(), and Queries::Query< int, ConstAtomPtr, needsConversion >::TypeConvert().