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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_CIPCONFIGURATIONLABELER_HPP
30 #define CDPL_CHEM_CIPCONFIGURATIONLABELER_HPP
46 class CIPConfigurationLabelerImpl;
77 typedef std::unique_ptr<CIPConfigurationLabelerImpl> ImplementationPointer;
79 ImplementationPointer impl;
84 #endif // CDPL_CHEM_CIPCONFIGURATIONLABELER_HPP
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.
Bond.
Definition: Bond.hpp:50
unsigned int getLabel(const Atom &atom)
Atom.
Definition: Atom.hpp:52
~CIPConfigurationLabeler()
CIPConfigurationLabeler & operator=(const CIPConfigurationLabeler &labeler)
CIPConfigurationLabeler(const MolecularGraph &molgraph)
MolecularGraph.
Definition: MolecularGraph.hpp:52
unsigned int getLabel(const Bond &bond)
The namespace of the Chemical Data Processing Library.
CIPConfigurationLabeler.
Definition: CIPConfigurationLabeler.hpp:55
void setup(const MolecularGraph &molgraph)
CIPConfigurationLabeler()
std::shared_ptr< CIPConfigurationLabeler > SharedPointer
Definition: CIPConfigurationLabeler.hpp:58
CIPConfigurationLabeler(const CIPConfigurationLabeler &labeler)