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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_ATOMENVIRONMENTMATCHEXPRESSION_HPP
30 #define CDPL_CHEM_ATOMENVIRONMENTMATCHEXPRESSION_HPP
89 mutable std::mutex mutex;
95 #endif // CDPL_CHEM_ATOMENVIRONMENTMATCHEXPRESSION_HPP
std::shared_ptr< MolecularGraph > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated MolecularGraph instances.
Definition: MolecularGraph.hpp:58
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.
SubstructureSearch.
Definition: SubstructureSearch.hpp:64
Atom.
Definition: Atom.hpp:52
std::shared_ptr< AtomEnvironmentMatchExpression > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated AtomEnvironmentMatchExpression in...
Definition: AtomEnvironmentMatchExpression.hpp:57
MolecularGraph.
Definition: MolecularGraph.hpp:52
A safe, type checked container for arbitrary data of variable type.
Definition: Any.hpp:59
Definition of the class CDPL::Chem::MolecularGraph.
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.
AtomEnvironmentMatchExpression(const MolecularGraph::SharedPointer &env_pattern, bool not_match)
Constructs an AtomEnvironmentMatchExpression instance for the specified atom environment pattern and ...
bool operator()(const Atom &query_atom, const MolecularGraph &query_molgraph, const Atom &target_atom, const MolecularGraph &target_molgraph, const Base::Any &aux_data) const
Checks whether the structural environment of target_atom matches (or does not match) the query enviro...
Definition of the class CDPL::Chem::SubstructureSearch.
AtomEnvironmentMatchExpression.
Definition: AtomEnvironmentMatchExpression.hpp:51