CDPL::Chem::AtomConfiguration Namespace Reference

Provides constants that are used to specify the R/S configuration of atoms. More...

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

Detailed Description

Provides constants that are used to specify the R/S configuration of atoms.

Variable Documentation

UNDEF

constexpr unsigned int CDPL::Chem::AtomConfiguration::UNDEF = 0

constexpr

Specifies that the configuration of the atom is completely undefined.

NONE

constexpr unsigned int CDPL::Chem::AtomConfiguration::NONE = 0x1

constexpr

Specifies that the atom does not meet the requirements to be assigned a configuration.

R

constexpr unsigned int CDPL::Chem::AtomConfiguration::R = 0x2

constexpr

Specifies that the atom has R configuration.

S

constexpr unsigned int CDPL::Chem::AtomConfiguration::S = 0x4

constexpr

Specifies that the atom has S configuration.

EITHER

constexpr unsigned int CDPL::Chem::AtomConfiguration::EITHER = 0x8

constexpr

Specifies that the atom meets the requirements but has no defined configuration.

SP

constexpr unsigned int CDPL::Chem::AtomConfiguration::SP = 16

constexpr

Specifies that the geometry of the ligand arrangement is square planar.

TB

constexpr unsigned int CDPL::Chem::AtomConfiguration::TB = SP + 4

constexpr

Specifies that the geometry of the ligand arrangement is trigonal bipyramidal.

OH

constexpr unsigned int CDPL::Chem::AtomConfiguration::OH = TB + 21

constexpr

Specifies that the geometry of the ligand arrangement is octahedral.