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

Capped square antiprism shape, spherized J10 solid in C4v. 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::HeptagonalBipyramid
 
static constexpr PointGroup pointGroup = PointGroup::D7h
 
static constexpr unsigned size = 9
 
static constexpr char stringName [] = "heptagonal bipyramid"
 
static constexpr std::array
< Temple::Vector, 9 > 
coordinates
 
static constexpr auto angleLookupTable
 
static constexpr std::array
< std::array< unsigned, 9 >, 2 > 
rotations
 
static constexpr std::array
< std::array< unsigned, 4 >, 3 > 
tetrahedra
 
static constexpr std::array
< unsigned, 9 > 
mirror {{0, 6, 5, 4, 3, 2, 1, 7, 8}}
 

Detailed Description

Capped square antiprism shape, spherized J10 solid in C4v.

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::HeptagonalBipyramid::angleLookupTable
static
Initial value:
Detail::makeArray<size>(coordinates)
)
constexpr std::array<Temple::Vector, 9> Scine::Molassembler::Shapes::Data::HeptagonalBipyramid::coordinates
static
Initial value:
{{
{ 1.000000, 0.000000, 0.000000},
{ 0.623490, 0.781831, 0.000000},
{-0.222521, 0.974928, 0.000000},
{-0.900969, 0.433884, 0.000000},
{-0.900969, -0.433884, 0.000000},
{-0.222521, -0.974928, 0.000000},
{ 0.623490, -0.781831, 0.000000},
{ 0.000000, 0.000000, 1.000000},
{ 0.000000, 0.000000, -1.000000}
}}
constexpr std::array< std::array<unsigned, 9>, 2 > Scine::Molassembler::Shapes::Data::HeptagonalBipyramid::rotations
static
Initial value:
{{
{6, 0, 1, 2, 3, 4, 5, 7, 8},
{0, 6, 5, 4, 3, 2, 1, 8, 7}
}}
constexpr std::array< std::array<unsigned, 4>, 3 > Scine::Molassembler::Shapes::Data::HeptagonalBipyramid::tetrahedra
static
Initial value:
{{
{8, 1, 0, 7},
{8, 3, 2, 7},
{8, 5, 4, 7}
}}

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