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

Regular cuboctahedron shape with Oh symmetry. 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::Cuboctahedron
 
static constexpr PointGroup pointGroup = PointGroup::Oh
 
static constexpr unsigned size = 12
 
static constexpr char stringName [] = "cuboctahedron"
 
static constexpr std::array
< Temple::Vector, 12 > 
coordinates
 
static constexpr auto angleLookupTable
 
static constexpr std::array
< std::array< unsigned, 12 >, 3 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 4 > 
tetrahedra
 
static constexpr std::array
< unsigned, 12 > 
mirror {{8, 9, 10, 11, 4, 6, 5, 7, 0, 1, 2, 3}}
 

Detailed Description

Regular cuboctahedron shape with Oh symmetry.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::Cuboctahedron::angleLookupTable
static
Initial value:
Detail::makeArray<size>(coordinates)
)
constexpr std::array<Temple::Vector, 12> Scine::Molassembler::Shapes::Data::Cuboctahedron::coordinates
static
Initial value:
{{
{ 0.707107, 0.000000, 0.707107},
{ 0.707107, 0.000000, -0.707107},
{-0.707107, 0.000000, 0.707107},
{-0.707107, 0.000000, -0.707107},
{ 0.707107, 0.707107, 0.000000},
{ 0.707107, -0.707107, 0.000000},
{-0.707107, 0.707107, 0.000000},
{-0.707107, -0.707107, 0.000000},
{ 0.000000, 0.707107, 0.707107},
{ 0.000000, 0.707107, -0.707107},
{ 0.000000, -0.707107, 0.707107},
{ 0.000000, -0.707107, -0.707107}
}}
constexpr std::array< std::array<unsigned, 12>, 3 > Scine::Molassembler::Shapes::Data::Cuboctahedron::rotations
static
Initial value:
{{
{10, 11, 8, 9, 5, 7, 4, 6, 0, 1, 2, 3},
{2, 0, 3, 1, 8, 10, 9, 11, 6, 4, 7, 5},
{7, 6, 5, 4, 3, 2, 1, 0, 11, 9, 10, 8},
}}
constexpr std::array< std::array<unsigned, 4>, 4 > Scine::Molassembler::Shapes::Data::Cuboctahedron::tetrahedra
static
Initial value:
{{
{ORIGIN_PLACEHOLDER, 6, 9, 8},
{ORIGIN_PLACEHOLDER, 4, 1, 0},
{ORIGIN_PLACEHOLDER, 5, 11, 10},
{ORIGIN_PLACEHOLDER, 7, 3, 2}
}}

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