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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_PIELECTRONSYSTEMLIST_HPP
30 #define CDPL_CHEM_PIELECTRONSYSTEMLIST_HPP
77 typedef std::list<ElectronSystem::SharedPointer> WorkingElecSysList;
93 WorkingElecSysList workingElecSystems;
98 #endif // CDPL_CHEM_PIELECTRONSYSTEMLIST_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.
PiElectronSystemList()
Constructs an empty PiElectronSystemList instance.
Atom.
Definition: Atom.hpp:52
void perceive(const MolecularGraph &molgraph)
Perceives all pi electron systems present in the molecular graph molgraph.
MolecularGraph.
Definition: MolecularGraph.hpp:52
Describes an electron system of a molecule in terms of involved atoms and their electron contribution...
Definition: ElectronSystem.hpp:55
A data type for the storage of Chem::ElectronSystem objects.
Definition: ElectronSystemList.hpp:49
PiElectronSystemList(const MolecularGraph &molgraph)
Constructs a PiElectronSystemList instance storing all pi electron systems of the molecular graph mol...
Implements the perception of all pi electron systems present in a molecule.
Definition: PiElectronSystemList.hpp:51
Definition of the class CDPL::Chem::ElectronSystemList.
std::shared_ptr< PiElectronSystemList > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated PiElectronSystemList instances.
Definition: PiElectronSystemList.hpp:57
The namespace of the Chemical Data Processing Library.