RDKit
Open-source cheminformatics and machine learning.
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > Class Template Reference

Base class for all queries. More...

#include <Query.h>

Inheritance diagram for Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >:
Queries::EqualityQuery< MatchFuncArgType, MatchFuncArgType, false > Queries::EqualityQuery< int, ConstAtomPtr, true > Queries::EqualityQuery< int, TargetPtr, true > Queries::SetQuery< int, Atom const *, true > Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion > Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion > Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion > Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion > RDKit::AtomRingQuery RDKit::HasPropQuery< TargetPtr > RDKit::HasPropWithValueQuery< TargetPtr, T > RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect > RDKit::HasPropWithValueQuery< TargetPtr, std::string > RDKit::RecursiveStructureQuery

Public Types

typedef std::shared_ptr< Query< MatchFuncArgType, DataFuncArgType, needsConversion > > CHILD_TYPE
 
typedef std::vector< CHILD_TYPECHILD_VECT
 
typedef CHILD_VECT::iterator CHILD_VECT_I
 
typedef CHILD_VECT::const_iterator CHILD_VECT_CI
 

Public Member Functions

 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)(MatchFuncArgType))
 sets our match function More...
 
void setDataFunc (MatchFuncArgType(*what)(DataFuncArgType))
 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 DataFuncArgType arg) const
 returns whether or not we match the argument More...
 
virtual Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy () const
 returns a copy of this Query More...
 

Public Attributes

bool(*)(MatchFuncArgType) getMatchFunc () const
 returns our match function: More...
 
MatchFuncArgType(*)(DataFuncArgType) getDataFunc () const
 returns our data function: More...
 

Protected Member Functions

MatchFuncArgType TypeConvert (MatchFuncArgType what, Int2Type< false >) const
 calls our dataFunc (if it's set) on what and returns the result, otherwise returns what More...
 
MatchFuncArgType TypeConvert (DataFuncArgType what, Int2Type< true >) const
 calls our dataFunc (which must be set) on what and returns the More...
 

Protected Attributes

MatchFuncArgType d_val = 0
 
MatchFuncArgType d_tol = 0
 
std::string d_description = ""
 
std::string d_queryType = ""
 
CHILD_VECT d_children
 
bool df_negate {false}
 
bool(* d_matchFunc )(MatchFuncArgType)
 
union {
   MatchFuncArgType(*   d_dataFunc )(DataFuncArgType)
 
   MatchFuncArgType(*   d_dataFuncSameType )(MatchFuncArgType)
 
}; 
 

Detailed Description

template<class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
class Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >

Base class for all queries.

Query objects have one or two functions associated with them:

  • bool matchFunc(MatchFuncArgType other) returns true or false to indicate whether this query matches other. This is mandatory.
  • MatchFuncArgType dataFunc(DataFuncArgType other) converts the argument other from DataFuncArgType to MatchFuncArgType. This is optional if DataFuncArgType is the same as (or implicitly convertible to) MatchFuncArgType.

Definition at line 45 of file Query.h.

Member Typedef Documentation

◆ CHILD_TYPE

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
typedef std::shared_ptr< Query<MatchFuncArgType, DataFuncArgType, needsConversion> > Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::CHILD_TYPE

Definition at line 49 of file Query.h.

◆ CHILD_VECT

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
typedef std::vector<CHILD_TYPE> Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::CHILD_VECT

Definition at line 50 of file Query.h.

◆ CHILD_VECT_CI

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
typedef CHILD_VECT::const_iterator Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::CHILD_VECT_CI

Definition at line 52 of file Query.h.

◆ CHILD_VECT_I

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
typedef CHILD_VECT::iterator Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::CHILD_VECT_I

Definition at line 51 of file Query.h.

Constructor & Destructor Documentation

◆ Query()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::Query ( )
inline

Definition at line 54 of file Query.h.

◆ ~Query()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
virtual Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::~Query ( )
inlinevirtual

Member Function Documentation

◆ addChild()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::addChild ( CHILD_TYPE  child)
inline

◆ beginChildren()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
CHILD_VECT_CI Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::beginChildren ( ) const
inline

◆ copy()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
virtual Query<MatchFuncArgType, DataFuncArgType, needsConversion>* Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::copy ( ) const
inlinevirtual

returns a copy of this Query

Notes:

  • the caller is responsible for deleteing the result

Reimplemented in Queries::XOrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::SetQuery< int, Atom const *, true >, Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::OrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::EqualityQuery< MatchFuncArgType, MatchFuncArgType, false >, Queries::EqualityQuery< int, ConstAtomPtr, true >, Queries::EqualityQuery< int, TargetPtr, true >, Queries::AndQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >, RDKit::HasPropWithValueQuery< TargetPtr, std::string >, RDKit::HasPropWithValueQuery< TargetPtr, T >, RDKit::HasPropQuery< TargetPtr >, RDKit::RecursiveStructureQuery, and RDKit::AtomRingQuery.

Definition at line 129 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::addChild(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::beginChildren(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFunc, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_matchFunc, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_queryType, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_tol, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_val, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::df_negate, and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::endChildren().

Referenced by RDKit::QueryAtom::operator=(), and RDKit::QueryAtom::QueryAtom().

◆ endChildren()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
CHILD_VECT_CI Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::endChildren ( ) const
inline

◆ getDescription()

◆ getFullDescription()

◆ getNegation()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
bool Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getNegation ( ) const
inline

returns whether or not we are negated

Definition at line 60 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::df_negate.

Referenced by RDKit::HasPropQuery< TargetPtr >::copy(), RDKit::HasPropWithValueQuery< TargetPtr, T >::copy(), RDKit::HasPropWithValueQuery< TargetPtr, std::string >::copy(), RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >::copy(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), RDKit::HasPropQuery< TargetPtr >::Match(), RDKit::HasPropWithValueQuery< TargetPtr, T >::Match(), RDKit::HasPropWithValueQuery< TargetPtr, std::string >::Match(), and RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >::Match().

◆ getTypeLabel()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
const std::string& Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getTypeLabel ( ) const
inline

returns our text label.

Definition at line 85 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_queryType.

◆ Match()

◆ setDataFunc()

◆ setDescription() [1/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription ( const char *  descr)
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 67 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description.

◆ setDescription() [2/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription ( const std::string &  descr)
inline

◆ setMatchFunc()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setMatchFunc ( bool(*)(MatchFuncArgType)  what)
inline

sets our match function

Definition at line 88 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_matchFunc.

◆ setNegation()

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setNegation ( bool  what)
inline

◆ setTypeLabel() [1/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setTypeLabel ( const char *  typ)
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 83 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_queryType.

◆ setTypeLabel() [2/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
void Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setTypeLabel ( const std::string &  typ)
inline

sets our type label

Definition at line 81 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_queryType.

◆ TypeConvert() [1/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
MatchFuncArgType Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::TypeConvert ( DataFuncArgType  what,
Int2Type< true >   
) const
inlineprotected

calls our dataFunc (which must be set) on what and returns the

Definition at line 180 of file Query.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFunc, and PRECONDITION.

◆ TypeConvert() [2/2]

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
MatchFuncArgType Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::TypeConvert ( MatchFuncArgType  what,
Int2Type< false >   
) const
inlineprotected

Member Data Documentation

◆ 

union { ... }

◆ d_children

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
CHILD_VECT Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_children
protected

◆ d_dataFunc

◆ d_dataFuncSameType

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
MatchFuncArgType(* Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFuncSameType) (MatchFuncArgType)

◆ d_description

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
std::string Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description = ""
protected

◆ d_matchFunc

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
bool(* Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_matchFunc) (MatchFuncArgType)
protected

◆ d_queryType

◆ d_tol

◆ d_val

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
MatchFuncArgType Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_val = 0
protected

Definition at line 148 of file Query.h.

Referenced by Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::copy(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::GreaterEqualQuery(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::GreaterQuery(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::LessEqualQuery(), Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::LessQuery(), Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match(), and Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::Match().

◆ df_negate

◆ getDataFunc

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
MatchFuncArgType(*)(DataFuncArgType) Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getDataFunc() const
inline

returns our data function:

Definition at line 98 of file Query.h.

◆ getMatchFunc

template<class MatchFuncArgType , class DataFuncArgType = MatchFuncArgType, bool needsConversion = false>
bool(*)(MatchFuncArgType) Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getMatchFunc() const
inline

returns our match function:

Definition at line 92 of file Query.h.


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