Regular square antiprism 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::SquareAntiprism

static constexpr PointGroup	pointGroup = PointGroup::D4d

static constexpr unsigned	size = 8

static constexpr char	stringName [] = "square antiprism"

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 >, 4 >	tetrahedra

static constexpr std::array < unsigned, 8 >	mirror {{2, 1, 0, 3, 5, 4, 7, 6}}

Detailed Description

Regular square antiprism shape.

*
* Two representations, one oblique, the other more helpful.
* The first is a side-on view. 0 is mostly hidden by 1, 3 mostly hidden
* by 2. 4 and 6 are in the viewing plane while 5 juts out above plane and
* 7 dips behind plane.
*
*  4   7 5 6
*    : ·/ :
*     (__)
*    ·/  \·
*   01    23
*
* Below is a top-down view. Strong lines indicate above-plane bonds, dots
* indicate below-plane bonds.
*
*   0   7   3
*     · | ·
*   4 –( )– 6
*     · | ·
*   1   5   2
*
*

Field Documentation

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

static

Initial value:

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

An upper triangular matrix containing angles between particules i,j in degrees using the square antiprismatic reference coordinates

constexpr std::array<Temple::Vector, 8> Scine::Molassembler::Shapes::Data::SquareAntiprism::coordinates

static

Initial value:

{{
    { 0.607781,  0.607781,  0.511081},
    {-0.607781,  0.607781,  0.511081},
    {-0.607781, -0.607781,  0.511081},
    { 0.607781, -0.607781,  0.511081},
    { 0.859533,  0.000000, -0.511081},
    { 0.000000,  0.859533, -0.511081},
    {-0.859533,  0.000000, -0.511081},
    {-0.000000, -0.859533, -0.511081}
  }}

constexpr std::array< std::array<unsigned, 8>, 2 > Scine::Molassembler::Shapes::Data::SquareAntiprism::rotations

static

Initial value:

{{
    {{3, 0, 1, 2, 7, 4, 5, 6}}, 
    
    {{5, 4, 7, 6, 1, 0, 3, 2}},
  }}

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

static

Initial value:

{{
    {{0, 1, 4, 5}},
    {{1, 2, 5, 6}},
    {{2, 3, 6, 7}},
    {{3, 0, 7, 4}}
  }}

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

Molassembler/Shapes/constexpr/Data.h

Static Public Member Functions

Static Public Attributes

Detailed Description

Field Documentation