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

Bicapped square antiprism shape, spherized J17 shape in D4h. 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::BicappedSquareAntiprism
 
static constexpr PointGroup pointGroup = PointGroup::D4h
 
static constexpr unsigned size = 10
 
static constexpr char stringName [] = "bicapped square antiprism"
 
static constexpr std::array
< Temple::Vector, 10 > 
coordinates
 
static constexpr auto angleLookupTable
 
static constexpr std::array
< std::array< unsigned, 10 >, 2 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 3 > 
tetrahedra
 
static constexpr std::array
< unsigned, 10 > 
mirror {{0, 1, 5, 7, 6, 2, 4, 3, 8, 9}}
 

Detailed Description

Bicapped square antiprism shape, spherized J17 shape in D4h.

This is the solution to the Thomson problem with 10 particles.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::BicappedSquareAntiprism::angleLookupTable
static
Initial value:
Detail::makeArray<size>(coordinates)
)
constexpr std::array<Temple::Vector, 10> Scine::Molassembler::Shapes::Data::BicappedSquareAntiprism::coordinates
static
Initial value:
{{
{ 0.978696890330, 0.074682616274, 0.191245663177},
{ 0.537258145625, 0.448413180814, -0.714338368164},
{-0.227939324473, -0.303819959434, -0.925060590777},
{ 0.274577116268, 0.833436432027, 0.479573895237},
{-0.599426405232, 0.240685139624, 0.763386303437},
{-0.424664555168, 0.830194107787, -0.361161679833},
{-0.402701180119, -0.893328907767, 0.199487398294},
{ 0.552788606831, -0.770301636525, -0.317899583084},
{ 0.290107593166, -0.385278374104, 0.876012647646},
{-0.978696887344, -0.074682599351, -0.191245685067}
}}
constexpr std::array< std::array<unsigned, 10>, 2 > Scine::Molassembler::Shapes::Data::BicappedSquareAntiprism::rotations
static
Initial value:
{{
{0, 7, 6, 1, 5, 2, 4, 8, 3, 9},
{9, 5, 3, 2, 7, 1, 8, 4, 6, 0}
}}
constexpr std::array< std::array<unsigned, 4>, 3 > Scine::Molassembler::Shapes::Data::BicappedSquareAntiprism::tetrahedra
static
Initial value:
{{
{0, 6, 8, 7},
{9, 3, 4, 5},
{9, 2, 1, 5}
}}

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