Scine::Molassembler::Shapes::Data::VacantTetrahedron Struct Reference

Mono-vacant tetrahedron 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::VacantTetrahedron
static constexpr PointGroup	pointGroup = PointGroup::C3v
static constexpr unsigned	size = 3
static constexpr char	stringName [] = "vacant tetrahedron"
static constexpr std::array < Temple::Vector, 3 >	coordinates
static constexpr std::array < std::array< unsigned, 3 >, 1 >	rotations
static constexpr std::array < std::array< unsigned, 4 >, 1 >	tetrahedra
static constexpr std::array < unsigned, 3 >	mirror {{0, 2, 1}}

Detailed Description

Mono-vacant tetrahedron shape.

This symmetry is widely called trigonal pyramidal, but that name risks being confused with a face-centered trigonal pyramid. This name should be preferred for this geometry.

*
*     (_)
*    /  \ °2
*   0    1
*
* Where /, \ denote in front of plane bonds, ° a behind the plane bond.
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 3> Scine::Molassembler::Shapes::Data::VacantTetrahedron::coordinates

static

Initial value:

{{
    {0, -0.366501, 0.930418},
    {0.805765, -0.366501, -0.465209},
    {-0.805765, -0.366501, -0.465209}
  }}

constexpr std::array< std::array<unsigned, 3>, 1 > Scine::Molassembler::Shapes::Data::VacantTetrahedron::rotations

static

Initial value:

{{
    {{2, 0, 1}} 
  }}

constexpr std::array< std::array<unsigned, 4>, 1 > Scine::Molassembler::Shapes::Data::VacantTetrahedron::tetrahedra

static

Initial value:

{{
    {{ORIGIN_PLACEHOLDER, 0, 1, 2}}
  }}

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

• Molassembler/Shapes/constexpr/Data.h