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RDKit
Open-source cheminformatics and machine learning.
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#include <QueryOps.h>
Public Member Functions | |
| AtomRingQuery () | |
| AtomRingQuery (int v) | |
| bool | Match (const ConstAtomPtr what) const override |
| Queries::Query< int, ConstAtomPtr, true > * | copy () const override |
| returns a copy of this query | |
Public Member Functions inherited from Queries::EqualityQuery< int, ConstAtomPtr, true > | |
| EqualityQuery () | |
| EqualityQuery (int v) | |
| constructs with our target value | |
| EqualityQuery (int v, int t) | |
| constructs with our target value and a tolerance | |
| void | setVal (int what) |
| sets our target value | |
| const int | getVal () const |
| returns our target value | |
| void | setTol (int what) |
| sets our tolerance | |
| const int | getTol () const |
| returns out tolerance | |
| bool | Match (const ConstAtomPtr what) const override |
| Query< int, ConstAtomPtr, needsConversion > * | copy () const override |
| returns a copy of this Query | |
| std::string | getFullDescription () const override |
| returns a fuller text description | |
Public Member Functions inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | |
| Query () | |
| virtual | ~Query () |
| void | setNegation (bool what) |
| sets whether or not we are negated | |
| bool | getNegation () const |
| returns whether or not we are negated | |
| void | setDescription (const std::string &descr) |
| sets our text description | |
| 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. | |
| const std::string & | getDescription () const |
| returns our text description | |
| void | setTypeLabel (const std::string &typ) |
| sets our type label | |
| 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. | |
| const std::string & | getTypeLabel () const |
| returns our text label. | |
| void | setMatchFunc (bool(*what)(int)) |
| sets our match function | |
| void | setDataFunc (int(*what)(ConstAtomPtr)) |
| sets our data function | |
| void | addChild (CHILD_TYPE child) |
| adds a child to our list of children | |
| CHILD_VECT_CI | beginChildren () const |
| returns an iterator for the beginning of our child vector | |
| CHILD_VECT_CI | endChildren () const |
| returns an iterator for the end of our child vector | |
Additional Inherited Members | ||
Public Types inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | ||
| using | CHILD_TYPE | |
| using | CHILD_VECT | |
| using | CHILD_VECT_I | |
| using | CHILD_VECT_CI | |
| using | MATCH_FUNC_ARG_TYPE | |
| using | DATA_FUNC_ARG_TYPE | |
Public Attributes inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | ||
| bool(*)(int) | getMatchFunc () const | |
| returns our match function: | ||
| int(*)(ConstAtomPtr) | getDataFunc () const | |
| returns our data function: | ||
| int(* | d_dataFunc )(ConstAtomPtr) | |
| int(* | d_dataFuncSameType )(int) | |
Protected Member Functions inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | ||
| int | TypeConvert (int what, Int2Type< false >) const | |
calls our dataFunc (if it's set) on what and returns the result, otherwise returns what | ||
| int | TypeConvert (ConstAtomPtr what, Int2Type< true >) const | |
Protected Attributes inherited from Queries::Query< int, ConstAtomPtr, 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) | ||
| }; | ||
Definition at line 709 of file QueryOps.h.
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inline |
Definition at line 712 of file QueryOps.h.
References Queries::EqualityQuery< int, ConstAtomPtr, true >::EqualityQuery(), RDKit::queryAtomRingMembership(), Queries::Query< int, ConstAtomPtr, needsConversion >::setDataFunc(), and Queries::Query< int, ConstAtomPtr, needsConversion >::setDescription().
Referenced by copy().
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inlineexplicit |
Definition at line 717 of file QueryOps.h.
References Queries::EqualityQuery< int, ConstAtomPtr, true >::EqualityQuery(), RDKit::queryAtomRingMembership(), Queries::Query< int, ConstAtomPtr, needsConversion >::setDataFunc(), and Queries::Query< int, ConstAtomPtr, needsConversion >::setDescription().
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inlineoverridevirtual |
returns a copy of this query
Reimplemented from Queries::Query< int, ConstAtomPtr, needsConversion >.
Definition at line 739 of file QueryOps.h.
References AtomRingQuery(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFunc, Queries::Query< int, ConstAtomPtr, needsConversion >::d_dataFunc, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::Query< int, ConstAtomPtr, needsConversion >::d_description, Queries::Query< int, ConstAtomPtr, needsConversion >::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().
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inlineoverride |
Definition at line 724 of file QueryOps.h.
References Queries::Query< int, ConstAtomPtr, needsConversion >::d_tol, Queries::Query< int, ConstAtomPtr, needsConversion >::d_val, Queries::Query< int, ConstAtomPtr, needsConversion >::getNegation(), Queries::queryCmp(), and Queries::Query< int, ConstAtomPtr, needsConversion >::TypeConvert().