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

A trigonal bipyramid shape, the J12 solid. 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::TrigonalBipyramid
 
static constexpr PointGroup pointGroup = PointGroup::D3h
 
static constexpr unsigned size = 5
 
static constexpr char stringName [] = "trigonal bipyramid"
 
static constexpr std::array
< Temple::Vector, 5 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 5 >, 4 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 2 > 
tetrahedra
 
static constexpr std::array
< unsigned, 5 > 
mirror {{0, 2, 1, 3, 4}}
 

Detailed Description

A trigonal bipyramid shape, the J12 solid.

*
* Viewed from the top of the pyramid. The central vertex is ( ), 3 and 4
* are axial.
*
*       3
*       |  2
*       | :    <- behind view plane
*   0--(_)
*       | \    <- in front of view plane
*       |  1
*       4
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 5> Scine::Molassembler::Shapes::Data::TrigonalBipyramid::coordinates
static
Initial value:
{{
{1, 0, 0},
{-0.5, 0.866025, 0},
{-0.5, -0.866025, 0},
{0, 0, 1},
{-0, -0, -1}
}}
constexpr std::array< std::array<unsigned, 5>, 4 > Scine::Molassembler::Shapes::Data::TrigonalBipyramid::rotations
static
Initial value:
{{
{{2, 0, 1, 3, 4}},
{{0, 2, 1, 4, 3}},
{{2, 1, 0, 4, 3}},
{{1, 0, 2, 4, 3}}
}}
constexpr std::array< std::array<unsigned, 4>, 2 > Scine::Molassembler::Shapes::Data::TrigonalBipyramid::tetrahedra
static
Initial value:
{{
{{0, 1, 3, 2}},
{{0, 1, 2, 4}}
}}

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