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

A square planar symmetry. 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::Square
 
static constexpr PointGroup pointGroup = PointGroup::D4h
 
static constexpr unsigned size = 4
 
static constexpr char stringName [] = "square"
 
static constexpr std::array
< Temple::Vector, 4 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 4 >, 3 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 0 > 
tetrahedra {{}}
 
static constexpr std::array
< unsigned, 0 > 
mirror {}
 

Detailed Description

A square planar symmetry.

*
*   3   2
*    \_/
*    (_) <- central vertex
*    / \
*   0   1
*
* 

Once again, angles are misrepresented, this is really a square.

Field Documentation

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

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