Scine::Molassembler::Shapes::Data::CappedTrigonalPrism Struct Reference

A capped trigonal prism shape, spherized J49 solid in C2v. 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::CappedTrigonalPrism
static constexpr PointGroup	pointGroup = PointGroup::C2v
static constexpr unsigned	size = 7
static constexpr char	stringName [] = "capped trigonal prism"
static constexpr std::array < Temple::Vector, 7 >	coordinates
static constexpr auto	angleLookupTable
static constexpr std::array < std::array< unsigned, 7 >, 1 >	rotations
static constexpr std::array < std::array< unsigned, 4 >, 2 >	tetrahedra
static constexpr std::array < unsigned, 7 >	mirror {{0, 2, 1, 4, 3, 5, 6}}

Detailed Description

A capped trigonal prism shape, spherized J49 solid in C2v.

Square-face capped.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::CappedTrigonalPrism::angleLookupTable

static

Initial value:

= Temple::makeUpperTriangularMatrix(
    Detail::makeArray<size>(coordinates)
  )

constexpr std::array<Temple::Vector, 7> Scine::Molassembler::Shapes::Data::CappedTrigonalPrism::coordinates

static

Initial value:

{{
    { -0.000000, -0.000000,  1.000000},
    {  0.984798, -0.069552,  0.159173},
    { -0.069552,  0.984798,  0.159173},
    { -0.984798,  0.069552,  0.159173},
    {  0.069552, -0.984798,  0.159173},
    {  0.413726,  0.413726, -0.810964},
    { -0.413726, -0.413726, -0.810964}
  }}

[V(CO)7]+ in C2v, from same source as CappedOctahedron

Minimized to local minimum in Thomson potential

constexpr std::array< std::array<unsigned, 7>, 1 > Scine::Molassembler::Shapes::Data::CappedTrigonalPrism::rotations

static

Initial value:

{{
    {{0, 3, 4, 1, 2, 6, 5}} 
  }}

constexpr std::array< std::array<unsigned, 4>, 2 > Scine::Molassembler::Shapes::Data::CappedTrigonalPrism::tetrahedra

static

Initial value:

{{
    {{0, 1, 2, 5}},
    {{0, 3, 4, 6}}
  }}

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

• Molassembler/Shapes/constexpr/Data.h