RDKit
Open-source cheminformatics and machine learning.
RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect > Class Template Reference

#include <QueryOps.h>

Inheritance diagram for RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >:
Queries::EqualityQuery< int, TargetPtr, true > Queries::Query< int, TargetPtr, needsConversion >

Public Member Functions

 HasPropWithValueQuery ()
 
 HasPropWithValueQuery (std::string prop, const ExplicitBitVect &v, float tol=0.0)
 
bool Match (const TargetPtr what) const override
 returns whether or not we match the argument More...
 
Queries::Query< int, TargetPtr, true > * copy () const override
 returns a copy of this query More...
 
- Public Member Functions inherited from Queries::EqualityQuery< int, TargetPtr, true >
 EqualityQuery ()
 
 EqualityQuery (int v)
 constructs with our target value More...
 
 EqualityQuery (int v, int t)
 constructs with our target value and a tolerance More...
 
void setVal (int what)
 sets our target value More...
 
const int getVal () const
 returns our target value More...
 
void setTol (int what)
 sets our tolerance More...
 
const int getTol () const
 returns out tolerance More...
 
bool Match (const TargetPtr what) const override
 
Query< int, TargetPtr, needsConversion > * copy () const override
 returns a copy of this Query More...
 
std::string getFullDescription () const override
 returns a fuller text description More...
 
- Public Member Functions inherited from Queries::Query< int, TargetPtr, needsConversion >
 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)
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts. More...
 
const std::string & getDescription () const
 returns our text description More...
 
virtual std::string getFullDescription () const
 returns a fuller text description More...
 
void setTypeLabel (const std::string &typ)
 sets our type label More...
 
void setTypeLabel (const char *typ)
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts. More...
 
const std::string & getTypeLabel () const
 returns our text label. More...
 
void setMatchFunc (bool(*what)(int))
 sets our match function More...
 
void setDataFunc (int(*what)(TargetPtr))
 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...
 
virtual bool Match (const TargetPtr arg) const
 returns whether or not we match the argument More...
 
virtual Query< int, TargetPtr, needsConversion > * copy () const
 returns a copy of this Query More...
 

Additional Inherited Members

- Public Types inherited from Queries::Query< int, TargetPtr, needsConversion >
using CHILD_TYPE = std::shared_ptr< Query< int, TargetPtr, needsConversion > >
 
using CHILD_VECT = std::vector< CHILD_TYPE >
 
using CHILD_VECT_I = typename CHILD_VECT::iterator
 
using CHILD_VECT_CI = typename CHILD_VECT::const_iterator
 
using MATCH_FUNC_ARG_TYPE = int
 
using DATA_FUNC_ARG_TYPE = TargetPtr
 
- Public Attributes inherited from Queries::Query< int, TargetPtr, needsConversion >
bool(*)(int) getMatchFunc () const
 returns our match function: More...
 
int(*)(TargetPtr) getDataFunc () const
 returns our data function: More...
 
int(* d_dataFunc )(TargetPtr)
 
int(* d_dataFuncSameType )(int)
 
- Protected Member Functions inherited from Queries::Query< int, TargetPtr, needsConversion >
int TypeConvert (int what, Int2Type< false >) const
 calls our dataFunc (if it's set) on what and returns the result, otherwise returns what More...
 
int TypeConvert (TargetPtr what, Int2Type< true >) const
 
- Protected Attributes inherited from Queries::Query< int, TargetPtr, needsConversion >
int d_val
 
int d_tol
 
std::string d_description
 
std::string d_queryType
 
CHILD_VECT d_children
 
bool df_negate
 
bool(* d_matchFunc )(int)
 
union {
   MatchFuncArgType(*   d_dataFunc )(DataFuncArgType)
 
   MatchFuncArgType(*   d_dataFuncSameType )(MatchFuncArgType)
 
}; 
 

Detailed Description

template<class TargetPtr>
class RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >

Definition at line 998 of file QueryOps.h.

Constructor & Destructor Documentation

◆ HasPropWithValueQuery() [1/2]

template<class TargetPtr >
RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >::HasPropWithValueQuery ( )
inline

◆ HasPropWithValueQuery() [2/2]

template<class TargetPtr >
RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >::HasPropWithValueQuery ( std::string  prop,
const ExplicitBitVect v,
float  tol = 0.0 
)
inlineexplicit

Member Function Documentation

◆ copy()

◆ Match()

template<class TargetPtr >
bool RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >::Match ( const TargetPtr  arg) const
inlineoverridevirtual

returns whether or not we match the argument

Reimplemented from Queries::Query< int, TargetPtr, needsConversion >.

Definition at line 1021 of file QueryOps.h.

References Queries::Query< int, TargetPtr, needsConversion >::getNegation(), and RDKit::TanimotoSimilarity().


The documentation for this class was generated from the following file: