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

A pentagonal bipyramid shape, the J13 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::PentagonalBipyramid
 
static constexpr PointGroup pointGroup = PointGroup::D5h
 
static constexpr unsigned size = 7
 
static constexpr char stringName [] = "pentagonal bipyramid"
 
static constexpr std::array
< Temple::Vector, 7 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 7 >, 2 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 10 > 
tetrahedra
 
static constexpr std::array
< unsigned, 7 > 
mirror {{0, 4, 3, 2, 1, 5, 6}}
 

Detailed Description

A pentagonal bipyramid shape, the J13 solid.

*
* 3, 5, (_) and 6 in plane, 1 and 2 in front, 0 and 4 in back
*
*      5
*  0_  | .4
*   _:(_) – 3
*  1   |°·2
*      6
*
* 0-4 are equatorial,
* 5,6 are axial
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 7> Scine::Molassembler::Shapes::Data::PentagonalBipyramid::coordinates
static
Initial value:
{{
{1, 0, 0},
{0.309017, 0.951057, 0},
{-0.809017, 0.587785, 0},
{-0.809017, -0.587785, 0},
{0.309017, -0.951057, 0},
{0, 0, 1},
{-0, -0, -1}
}}
constexpr std::array< std::array<unsigned, 7>, 2 > Scine::Molassembler::Shapes::Data::PentagonalBipyramid::rotations
static
Initial value:
{{
{{4, 0, 1, 2, 3, 5, 6}},
{{1, 0, 4, 3, 2, 6, 5}}
}}
constexpr std::array< std::array<unsigned, 4>, 10 > Scine::Molassembler::Shapes::Data::PentagonalBipyramid::tetrahedra
static
Initial value:
{{
{{0, 1, 5, ORIGIN_PLACEHOLDER}},
{{1, 2, 5, ORIGIN_PLACEHOLDER}},
{{2, 3, 5, ORIGIN_PLACEHOLDER}},
{{3, 4, 5, ORIGIN_PLACEHOLDER}},
{{4, 0, 5, ORIGIN_PLACEHOLDER}},
{{0, 1, ORIGIN_PLACEHOLDER, 6}},
{{1, 2, ORIGIN_PLACEHOLDER, 6}},
{{2, 3, ORIGIN_PLACEHOLDER, 6}},
{{3, 4, ORIGIN_PLACEHOLDER, 6}},
{{4, 0, ORIGIN_PLACEHOLDER, 6}}
}}

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