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

A regular 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::Tetrahedron
 
static constexpr PointGroup pointGroup = PointGroup::Td
 
static constexpr unsigned size = 4
 
static constexpr char stringName [] = "tetrahedron"
 
static constexpr std::array
< Temple::Vector, 4 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 4 >, 4 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 1 > 
tetrahedra
 
static constexpr std::array
< unsigned, 4 > 
mirror {{0, 2, 1, 3}}
 

Detailed Description

A regular tetrahedron shape.

*
*      0
*      |
*     (_)
*    /  \ °3
*   1    2
*
* Where /, \ denote in front of plane bonds, ° a behind the plane bond.
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 4> Scine::Molassembler::Shapes::Data::Tetrahedron::coordinates
static
Initial value:
{{
{0, 1, 0},
{0, -0.333807, 0.942641},
{0.816351, -0.333807, -0.471321},
{-0.816351, -0.333807, -0.471321}
}}
constexpr std::array< std::array<unsigned, 4>, 4 > Scine::Molassembler::Shapes::Data::Tetrahedron::rotations
static
Initial value:
{{
{{0, 3, 1, 2}},
{{2, 1, 3, 0}},
{{3, 0, 2, 1}},
{{1, 2, 0, 3}}
}}
constexpr std::array< std::array<unsigned, 4>, 1 > Scine::Molassembler::Shapes::Data::Tetrahedron::tetrahedra
static
Initial value:
{{
{{0, 1, 2, 3}}
}}

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