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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_BONDSUBSTITUENTDIRECTIONMATCHEXPRESSION_HPP
30 #define CDPL_CHEM_BONDSUBSTITUENTDIRECTIONMATCHEXPRESSION_HPP
60 typedef std::shared_ptr<BondSubstituentDirectionMatchExpression>
SharedPointer;
100 #endif // CDPL_CHEM_BONDSUBSTITUENTDIRECTIONMATCHEXPRESSION_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
BondSubstituentDirectionMatchExpression.
Definition: BondSubstituentDirectionMatchExpression.hpp:54
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Bond.
Definition: Bond.hpp:50
std::shared_ptr< BondSubstituentDirectionMatchExpression > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated BondSubstituentDirectionMatchExpr...
Definition: BondSubstituentDirectionMatchExpression.hpp:60
bool operator()(const Bond &query_bond, const MolecularGraph &query_molgraph, const Bond &target_bond, const MolecularGraph &target_molgraph, const AtomBondMapping &mapping, const Base::Any &aux_data) const
Checks whether the relative directions of the substituent bonds of target_bond match the bond directi...
MolecularGraph.
Definition: MolecularGraph.hpp:52
A safe, type checked container for arbitrary data of variable type.
Definition: Any.hpp:59
bool requiresAtomBondMapping() const
Returns true to indicate that the expression requires a query to target atom/bond mapping candidate f...
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.
A data structure for the common storage of related atom to atom and bond to bond mappings.
Definition: AtomBondMapping.hpp:55