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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 () | |
| 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 | |
| const std::string & | getDescription () const |
| returns our text description | |
| void | setTypeLabel (const std::string &typ) |
| sets our type label | |
| const std::string & | getTypeLabel () const |
| returns our text label. | |
| void | setMatchFunc (std::function< bool(int)> what) |
| sets our match function | |
| std::function< bool(int)> | getMatchFunc () const |
| returns our match function: | |
| void | setDataFunc (std::function< int(ConstAtomPtr)> what) |
| sets our data function | |
| std::function< int(ConstAtomPtr)> | getDataFunc () const |
| returns 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 > | |
| std::function< int(ConstAtomPtr)> | d_dataFunc |
| std::function< int(int)> | d_dataFuncSameType |
| 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 | |
| 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 |
| std::function< bool(int)> | d_matchFunc |
| union { | |
| std::function< MatchFuncArgType(DataFuncArgType)> d_dataFunc | |
| std::function< MatchFuncArgType(MatchFuncArgType)> d_dataFuncSameType | |
| }; | |
Definition at line 752 of file QueryOps.h.
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inline |
Definition at line 755 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 760 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 782 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 767 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().