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

Trigonal dodecahedron, snub disphenoid shape, spherized J84 solid in D2d. 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::TrigonalDodecahedron
 
static constexpr PointGroup pointGroup = PointGroup::D2d
 
static constexpr unsigned size = 8
 
static constexpr char stringName [] = "trigonal dodecahedron"
 
static constexpr std::array
< Temple::Vector, 8 > 
coordinates
 
static constexpr auto angleLookupTable
 
static constexpr std::array
< std::array< unsigned, 8 >, 2 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 2 > 
tetrahedra
 
static constexpr std::array
< unsigned, 8 > 
mirror {{0, 1, 3, 2, 4, 5, 7, 6}}
 

Detailed Description

Trigonal dodecahedron, snub disphenoid shape, spherized J84 solid in D2d.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::TrigonalDodecahedron::angleLookupTable
static
Initial value:
Detail::makeArray<size>(coordinates)
)
constexpr std::array<Temple::Vector, 8> Scine::Molassembler::Shapes::Data::TrigonalDodecahedron::coordinates
static
Initial value:
{{
{ 0.620913, 0.000000, -0.783880},
{ -0.620913, 0.000000, -0.783880},
{ 0.000000, 0.620913, 0.783880},
{ -0.000000, -0.620913, 0.783880},
{ 0.950273, 0.000000, 0.311417},
{ -0.950273, 0.000000, 0.311417},
{ 0.000000, 0.950273, -0.311417},
{ 0.000000, -0.950273, -0.311417}
}}
constexpr std::array< std::array<unsigned, 8>, 2 > Scine::Molassembler::Shapes::Data::TrigonalDodecahedron::rotations
static
Initial value:
{{
{1, 0, 3, 2, 5, 4, 7, 6},
{2, 3, 0, 1, 6, 7, 4, 5}
}}
constexpr std::array< std::array<unsigned, 4>, 2 > Scine::Molassembler::Shapes::Data::TrigonalDodecahedron::tetrahedra
static
Initial value:
{{
{4, 2, 3, 5},
{0, 6, 7, 1}
}}

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