AtomConfiguration.hpp File Reference

Definition of constants in namespace CDPL::Chem::AtomConfiguration. More...

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Chem::AtomConfiguration
	Provides constants that are used to specify the R/S configuration of atoms.

Variables
constexpr unsigned int	CDPL::Chem::AtomConfiguration::UNDEF = 0
	Specifies that the configuration of the atom is completely undefined. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::NONE = 0x1
	Specifies that the atom does not meet the requirements to be assigned a configuration. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::R = 0x2
	Specifies that the atom has R configuration. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::S = 0x4
	Specifies that the atom has S configuration. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::EITHER = 0x8
	Specifies that the atom meets the requirements but has no defined configuration. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::SP = 16
	Specifies that the geometry of the ligand arrangement is square planar. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::TB = SP + 4
	Specifies that the geometry of the ligand arrangement is trigonal bipyramidal. More...
constexpr unsigned int	CDPL::Chem::AtomConfiguration::OH = TB + 21
	Specifies that the geometry of the ligand arrangement is octahedral. More...

Detailed Description

Definition of constants in namespace CDPL::Chem::AtomConfiguration.