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

A pentagonal pyramid shape, the J2 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::PentagonalPyramid
 
static constexpr PointGroup pointGroup = PointGroup::C5v
 
static constexpr unsigned size = 6
 
static constexpr char stringName [] = "pentagonal pyramid"
 
static constexpr std::array
< Temple::Vector, 6 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 6 >, 1 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 5 > 
tetrahedra
 
static constexpr std::array
< unsigned, 6 > 
mirror {{0, 4, 3, 2, 1, 5}}
 

Detailed Description

A pentagonal pyramid shape, the J2 solid.

*
*      0
*  1.  |  .4
*    °(5)°
*    :   :
*   2     3
*
* 0-4 are in plane,
* 5 is above plane,
* ( ) signifies the central vertex beneath it
*
* 

Field Documentation

constexpr std::array<Temple::Vector, 6> Scine::Molassembler::Shapes::Data::PentagonalPyramid::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}
}}
constexpr std::array< std::array<unsigned, 6>, 1 > Scine::Molassembler::Shapes::Data::PentagonalPyramid::rotations
static
Initial value:
{{
{{4, 0, 1, 2, 3, 5}}
}}
constexpr std::array< std::array<unsigned, 4>, 5 > Scine::Molassembler::Shapes::Data::PentagonalPyramid::tetrahedra
static
Initial value:
{{
{{0, ORIGIN_PLACEHOLDER, 1, 5}},
{{1, ORIGIN_PLACEHOLDER, 2, 5}},
{{2, ORIGIN_PLACEHOLDER, 3, 5}},
{{3, ORIGIN_PLACEHOLDER, 4, 5}},
{{4, ORIGIN_PLACEHOLDER, 0, 5}}
}}

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