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

A seesaw shape. 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::Seesaw
 
static constexpr PointGroup pointGroup = PointGroup::C2v
 
static constexpr unsigned size = 4
 
static constexpr char stringName [] = "seesaw"
 
static constexpr std::array
< Temple::Vector, 4 > 
coordinates
 
static constexpr std::array
< std::array< unsigned, 4 >, 1 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 2 > 
tetrahedra
 
static constexpr std::array
< unsigned, 4 > 
mirror {{0, 2, 1, 3}}
 

Detailed Description

A seesaw shape.

More precisely, this has an angle of 120° between substituents 1 and 2. That makes this shape both an equatorially mono-vacant trigonal bipyramid and an edge-centered tetragonal disphenoid, if either of those help you imagine the shape better.

*
*   0 – (_) – 3
*       / :
*      1   2
*
* 

Field Documentation

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

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