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RDKit
Open-source cheminformatics and machine learning.
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#include <QueryOps.h>
Public Member Functions | |
| HasPropWithValueQuery () | |
| HasPropWithValueQuery (const std::string &prop, const ExplicitBitVect &v, float tol=0.0) | |
| virtual bool | Match (const TargetPtr what) const |
| Queries::Query< int, TargetPtr, true > * | copy () const |
| 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... | |
| std::string | getFullDescription () const |
| returns a fuller text description More... | |
Public Member Functions inherited from Queries::Query< MatchFuncArgType, DataFuncArgType, 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... | |
| 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... | |
Additional Inherited Members | |
Public Types inherited from Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > | |
| typedef std::shared_ptr< Query< MatchFuncArgType, DataFuncArgType, 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 |
Public Attributes inherited from Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > | |
| bool(*)(MatchFuncArgType) | getMatchFunc () const |
| returns our match function: More... | |
| MatchFuncArgType(*)(DataFuncArgType) | getDataFunc () const |
| returns our data function: More... | |
Protected Member Functions inherited from Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > | |
| 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 inherited from Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > | |
| 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) | |
| }; | |
Definition at line 967 of file QueryOps.h.
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inline |
Definition at line 974 of file QueryOps.h.
References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription().
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inlineexplicit |
Definition at line 980 of file QueryOps.h.
References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription().
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inlinevirtual |
returns a copy of this query
Reimplemented from Queries::EqualityQuery< int, TargetPtr, true >.
Definition at line 1025 of file QueryOps.h.
References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getNegation(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setNegation().
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inlinevirtual |
Reimplemented from Queries::EqualityQuery< int, TargetPtr, true >.
Definition at line 990 of file QueryOps.h.
References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getNegation(), and RDKit::TanimotoSimilarity().