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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) | |
| virtual bool | Match (const ConstAtomPtr what) const |
| Queries::Query< int, ConstAtomPtr, true > * | copy () const |
| returns a copy of this query More... | |
Public Member Functions inherited from Queries::EqualityQuery< int, ConstAtomPtr, 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... | |
| virtual bool | Match (const ConstAtomPtr what) const |
| returns whether or not we match the argument More... | |
| std::string | getFullDescription () const |
| returns a fuller text description More... | |
Public Member Functions inherited from Queries::Query< int, ConstAtomPtr, 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) |
| const std::string & | getDescription () const |
| returns our text description More... | |
| void | setMatchFunc (bool(*what)(int)) |
| sets our match function More... | |
| void | setDataFunc (int(*what)(ConstAtomPtr)) |
| 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... | |
Additional Inherited Members | |
Public Types inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | |
| typedef boost::shared_ptr< Query< int, ConstAtomPtr, 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< int, ConstAtomPtr, needsConversion > | |
| bool(*)(int) | getMatchFunc () const |
| returns our match function: More... | |
| int(*)(ConstAtomPtr) | getDataFunc () const |
| returns our data function: More... | |
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 More... | |
| int | TypeConvert (ConstAtomPtr what, Int2Type< true >) const |
calls our dataFunc (which must be set) on what and returns the More... | |
Protected Attributes inherited from Queries::EqualityQuery< int, ConstAtomPtr, true > | |
| int | d_val |
| int | d_tol |
Protected Attributes inherited from Queries::Query< int, ConstAtomPtr, needsConversion > | |
| std::string | d_description |
| CHILD_VECT | d_children |
| bool | df_negate |
| bool(* | d_matchFunc )(int) |
| int(* | d_dataFunc )(ConstAtomPtr) |
Definition at line 409 of file QueryOps.h.
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inline |
Definition at line 411 of file QueryOps.h.
References 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 416 of file QueryOps.h.
References RDKit::queryAtomRingMembership(), Queries::Query< int, ConstAtomPtr, needsConversion >::setDataFunc(), and Queries::Query< int, ConstAtomPtr, needsConversion >::setDescription().
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inlinevirtual |
returns a copy of this query
Reimplemented from Queries::EqualityQuery< int, ConstAtomPtr, true >.
Definition at line 438 of file QueryOps.h.
References AtomRingQuery(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_dataFunc, Queries::Query< int, ConstAtomPtr, needsConversion >::d_dataFunc, Queries::Query< int, ConstAtomPtr, needsConversion >::d_description, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::EqualityQuery< int, ConstAtomPtr, true >::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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inlinevirtual |
Definition at line 423 of file QueryOps.h.
References Queries::EqualityQuery< int, ConstAtomPtr, true >::d_tol, Queries::EqualityQuery< int, ConstAtomPtr, true >::d_val, Queries::Query< int, ConstAtomPtr, needsConversion >::getNegation(), Queries::queryCmp(), and Queries::Query< int, ConstAtomPtr, needsConversion >::TypeConvert().