Provides constants used to specify the spatial geometry of atom arrangements around a common central atom. More...

Variables
const unsigned int	UNDEF = 0
	Specifies undefined or unknown geometry. More...

const unsigned int	NONE = 1
	Specifies that a geometry cannot be assigned due to the lack of enough (>1) defining entities. More...

const unsigned int	LINEAR = 2
	Specifies linear geometry. More...

const unsigned int	TRIGONAL_PLANAR = 3
	Specifies trigonal planar geometry. More...

const unsigned int	TETRAHEDRAL = 4
	Specifies tetrahedral geometry. More...

const unsigned int	TRIGONAL_BIPYRAMIDAL = 5
	Specifies trigonal bipyramidal geometry. More...

const unsigned int	OCTAHEDRAL = 6
	Specifies octahedral geometry. More...

const unsigned int	PENTAGONAL_BIPYRAMIDAL = 7
	Specifies pentagonal bipyramidal geometry. More...

const unsigned int	SQUARE_ANTIPRISMATIC = 8
	Specifies square antiprismatic geometry. More...

const unsigned int	BENT = 9
	Specifies bent geometry. More...

const unsigned int	TRIGONAL_PYRAMIDAL = 10
	Specifies trigonal pyramidal geometry. More...

const unsigned int	SQUARE_PLANAR = 11
	Specifies square planar geometry. More...

const unsigned int	SQUARE_PYRAMIDAL = 12
	Specifies square pyramidal geometry. More...

const unsigned int	T_SHAPED = 13
	Specifies T-shaped geometry. More...

const unsigned int	SEESAW = 14
	Specifies seesaw geometry. More...

const unsigned int	PENTAGONAL_PYRAMIDAL = 15
	Specifies pentagonal pyramidal geometry. More...

const unsigned int	PENTAGONAL_PLANAR = 16
	Specifies pentagonal planar geometry. More...

Detailed Description

Provides constants used to specify the spatial geometry of atom arrangements around a common central atom.

Variable Documentation

◆ UNDEF

const unsigned int CDPL::MolProp::CoordinationGeometry::UNDEF = 0

Specifies undefined or unknown geometry.

◆ NONE

const unsigned int CDPL::MolProp::CoordinationGeometry::NONE = 1

Specifies that a geometry cannot be assigned due to the lack of enough (>1) defining entities.

◆ LINEAR

const unsigned int CDPL::MolProp::CoordinationGeometry::LINEAR = 2

Specifies linear geometry.

◆ TRIGONAL_PLANAR

const unsigned int CDPL::MolProp::CoordinationGeometry::TRIGONAL_PLANAR = 3

Specifies trigonal planar geometry.

◆ TETRAHEDRAL

const unsigned int CDPL::MolProp::CoordinationGeometry::TETRAHEDRAL = 4

Specifies tetrahedral geometry.

◆ TRIGONAL_BIPYRAMIDAL

const unsigned int CDPL::MolProp::CoordinationGeometry::TRIGONAL_BIPYRAMIDAL = 5

Specifies trigonal bipyramidal geometry.

◆ OCTAHEDRAL

const unsigned int CDPL::MolProp::CoordinationGeometry::OCTAHEDRAL = 6

Specifies octahedral geometry.

◆ PENTAGONAL_BIPYRAMIDAL

const unsigned int CDPL::MolProp::CoordinationGeometry::PENTAGONAL_BIPYRAMIDAL = 7

Specifies pentagonal bipyramidal geometry.

◆ SQUARE_ANTIPRISMATIC

const unsigned int CDPL::MolProp::CoordinationGeometry::SQUARE_ANTIPRISMATIC = 8

Specifies square antiprismatic geometry.

◆ BENT

const unsigned int CDPL::MolProp::CoordinationGeometry::BENT = 9

Specifies bent geometry.

◆ TRIGONAL_PYRAMIDAL

const unsigned int CDPL::MolProp::CoordinationGeometry::TRIGONAL_PYRAMIDAL = 10

Specifies trigonal pyramidal geometry.

◆ SQUARE_PLANAR

const unsigned int CDPL::MolProp::CoordinationGeometry::SQUARE_PLANAR = 11

Specifies square planar geometry.

◆ SQUARE_PYRAMIDAL

const unsigned int CDPL::MolProp::CoordinationGeometry::SQUARE_PYRAMIDAL = 12

Specifies square pyramidal geometry.

◆ T_SHAPED

const unsigned int CDPL::MolProp::CoordinationGeometry::T_SHAPED = 13

Specifies T-shaped geometry.

◆ SEESAW

const unsigned int CDPL::MolProp::CoordinationGeometry::SEESAW = 14

Specifies seesaw geometry.

◆ PENTAGONAL_PYRAMIDAL

const unsigned int CDPL::MolProp::CoordinationGeometry::PENTAGONAL_PYRAMIDAL = 15

Specifies pentagonal pyramidal geometry.

◆ PENTAGONAL_PLANAR

const unsigned int CDPL::MolProp::CoordinationGeometry::PENTAGONAL_PLANAR = 16

Specifies pentagonal planar geometry.

Variables