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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_REACTIONATOMMAPPINGMATCHEXPRESSION_HPP
30 #define CDPL_CHEM_REACTIONATOMMAPPINGMATCHEXPRESSION_HPP
58 typedef std::shared_ptr<ReactionAtomMappingMatchExpression>
SharedPointer;
105 #endif // CDPL_CHEM_REACTIONATOMMAPPINGMATCHEXPRESSION_HPP
bool operator()(const Reaction &query_rxn, const Reaction &target_rxn, const AtomBondMapping &mapping, const Base::Any &matched_rxn_roles) const
Checks whether the reactant to product atom mapping of the target reaction matches the query atom map...
ReactionAtomMappingMatchExpression.
Definition: ReactionAtomMappingMatchExpression.hpp:51
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
std::shared_ptr< AtomMapping > SharedPointer
Definition: AtomMapping.hpp:57
A safe, type checked container for arbitrary data of variable type.
Definition: Any.hpp:59
A generic boolean expression interface for the implementation of query/target object equivalence test...
Definition: MatchExpression.hpp:75
Definition of the class CDPL::Chem::MatchExpression.
The namespace of the Chemical Data Processing Library.
bool requiresAtomBondMapping() const
Returns true to indicate that the expression requires a query to target atom/bond mapping candidate f...
Reaction.
Definition: Reaction.hpp:52
std::shared_ptr< ReactionAtomMappingMatchExpression > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated ReactionAtomMappingMatchExpressio...
Definition: ReactionAtomMappingMatchExpression.hpp:58
A data structure for the common storage of related atom to atom and bond to bond mappings.
Definition: AtomBondMapping.hpp:55
Definition of the type CDPL::Chem::AtomMapping.
ReactionAtomMappingMatchExpression(const AtomMapping::SharedPointer &atom_mapping)
Constructs a ReactionAtomMappingMatchExpression instance for the specified reactant to product atom m...