Molassembler  1.0.0
Molecule graph and conformer library
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Scine::Molassembler::Shapes::Data::Octahedron Struct Reference

A regular octahedron. More...

#include <Data.h>

Static Public Member Functions

static constexpr double angleFunction (const unsigned a, const unsigned b)
 

Static Public Attributes

static constexpr Shape shape = Shape::Octahedron
 
static constexpr PointGroup pointGroup = PointGroup::Oh
 
static constexpr unsigned size = 6
 
static constexpr char stringName [] = "octahedron"
 
static constexpr std::array
< Temple::Vector, 6 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 6 >, 3 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 8 > 
tetrahedra
 
static constexpr std::array
< unsigned, 6 > 
mirror {{1, 0, 3, 2, 4, 5}}
 

Detailed Description

A regular octahedron.

*
* The central vertex is ( ), 4 and 5 are axial, the rest equatorial.
*
*       4
*    3  |  2
*     : | :
*      (_)
*     / | \
*    0  |  1
*       5
*
* Where /, \ denote bonds in front of the view plane, : denotes bonds
* behind the view plane.
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 6> Scine::Molassembler::Shapes::Data::Octahedron::coordinates
static
Initial value:
{{
{1, 0, 0},
{0, 1, 0},
{-1, -0, -0},
{-0, -1, -0},
{0, 0, 1},
{-0, -0, -1}
}}
constexpr std::array< std::array<unsigned, 6>, 3 > Scine::Molassembler::Shapes::Data::Octahedron::rotations
static
Initial value:
{{
{{3, 0, 1, 2, 4, 5}},
{{0, 5, 2, 4, 1, 3}},
{{4, 1, 5, 3, 2, 0}}
}}
constexpr std::array< std::array<unsigned, 4>, 8 > Scine::Molassembler::Shapes::Data::Octahedron::tetrahedra
static
Initial value:
{{
{{3, 0, 4, ORIGIN_PLACEHOLDER}},
{{0, 1, 4, ORIGIN_PLACEHOLDER}},
{{1, 2, 4, ORIGIN_PLACEHOLDER}},
{{2, 3, 4, ORIGIN_PLACEHOLDER}},
{{3, 0, ORIGIN_PLACEHOLDER, 5}},
{{0, 1, ORIGIN_PLACEHOLDER, 5}},
{{1, 2, ORIGIN_PLACEHOLDER, 5}},
{{2, 3, ORIGIN_PLACEHOLDER, 5}}
}}

The documentation for this struct was generated from the following file: