Chemical Data Processing Library C++ API - Version 1.1.1
Variables
CDPL::Chem::AtomConfiguration Namespace Reference

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

Variables

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

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

Specifies that the configuration of the atom is completely undefined.

◆ NONE

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

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

◆ R

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

Specifies that the atom has R configuration.

◆ S

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

Specifies that the atom has S configuration.

◆ EITHER

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

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

◆ SP

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

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

◆ TB

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

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

◆ OH

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

Specifies that the geometry of the ligand arrangement is octahedral.