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

Regular icosahedron shape. 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::Icosahedron
 
static constexpr PointGroup pointGroup = PointGroup::Ih
 
static constexpr unsigned size = 12
 
static constexpr char stringName [] = "icosahedron"
 
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 {{0, 1, 2, 3, 5, 4, 7, 6, 10, 11, 8, 9}}
 

Detailed Description

Regular icosahedron shape.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::Icosahedron::angleLookupTable
static
Initial value:
Detail::makeArray<size>(coordinates)
)
constexpr std::array<Temple::Vector, 12> Scine::Molassembler::Shapes::Data::Icosahedron::coordinates
static
Initial value:
{{
{ 0.525731, 0.000000, 0.850651},
{ 0.525731, 0.000000, -0.850651},
{-0.525731, 0.000000, 0.850651},
{-0.525731, 0.000000, -0.850651},
{ 0.850651, 0.525731, 0.000000},
{ 0.850651, -0.525731, 0.000000},
{-0.850651, 0.525731, 0.000000},
{-0.850651, -0.525731, 0.000000},
{ 0.000000, 0.850651, 0.525731},
{ 0.000000, 0.850651, -0.525731},
{ 0.000000, -0.850651, 0.525731},
{ 0.000000, -0.850651, -0.525731}
}}
constexpr std::array< std::array<unsigned, 12>, 3 > Scine::Molassembler::Shapes::Data::Icosahedron::rotations
static
Initial value:
{{
{0, 11, 8, 3, 5, 10, 9, 6, 4, 1, 2, 7},
{8, 5, 6, 11, 4, 0, 3, 7, 9, 1, 2, 10},
{2, 3, 0, 1, 7, 6, 5, 4, 10, 11, 8, 9}
}}
constexpr std::array< std::array<unsigned, 4>, 4 > Scine::Molassembler::Shapes::Data::Icosahedron::tetrahedra
static
Initial value:
{{
{0, 2, 10, 8},
{1, 3, 9, 11},
{1, 4, 5, 0},
{3, 7, 6, 2}
}}

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