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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_DEFAULTMULTICONFMOLECULEINPUTPROCESSOR_HPP
30 #define CDPL_CHEM_DEFAULTMULTICONFMOLECULEINPUTPROCESSOR_HPP
51 typedef std::shared_ptr<DefaultMultiConfMoleculeInputProcessor>
SharedPointer;
53 static constexpr
unsigned int DEF_ATOM_PROPERTY_FLAGS =
57 static constexpr
unsigned int DEF_BOND_PROPERTY_FLAGS =
70 unsigned int atomFlags;
71 unsigned int bondFlags;
76 #endif // CDPL_CHEM_DEFAULTMULTICONFMOLECULEINPUTPROCESSOR_HPP
const unsigned int FORMAL_CHARGE
Specifies the formal charge of an atom.
Definition: Chem/AtomPropertyFlag.hpp:73
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.
MolecularGraph.
Definition: MolecularGraph.hpp:52
Definition of constants in namespace CDPL::Chem::AtomPropertyFlag.
const unsigned int ORDER
Specifies the order of a bond.
Definition: BondPropertyFlag.hpp:63
const unsigned int TYPE
Specifies the generic type or element of an atom.
Definition: Chem/AtomPropertyFlag.hpp:63
const unsigned int ISOTOPE
Specifies the isotopic mass of an atom.
Definition: Chem/AtomPropertyFlag.hpp:68
The namespace of the Chemical Data Processing Library.
Definition of constants in namespace CDPL::Chem::BondPropertyFlag.