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

A square pyramid shape, the J1 solid (central position is square-face centered) 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::SquarePyramid
 
static constexpr PointGroup pointGroup = PointGroup::C4v
 
static constexpr unsigned size = 5
 
static constexpr char stringName [] = "square pyramid"
 
static constexpr std::array
< Temple::Vector, 5 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 5 >, 1 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 4 > 
tetrahedra
 
static constexpr std::array
< unsigned, 5 > 
mirror {{1, 0, 3, 2, 4}}
 

Detailed Description

A square pyramid shape, the J1 solid (central position is square-face centered)

*
*      4
*   3  |  2
*    : | :    <- behind view plane
*     (_)
*    /   \    <- in front of view plane
*   0     1
*
* 

Field Documentation

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

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