Central symmetry data class definitions. More...

#include "Molassembler/Temple/constexpr/Vector.h"
#include "Molassembler/Temple/constexpr/TupleType.h"
#include "Molassembler/Shapes/Shapes.h"
#include "Molassembler/Shapes/PointGroups.h"
#include "Molassembler/Shapes/constexpr/CompileTimeOptions.h"
#include "Molassembler/Shapes/constexpr/AngleLookup.h"

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Data Structures
struct	Scine::Molassembler::Shapes::Data::Line
	Line shape. More...

struct	Scine::Molassembler::Shapes::Data::Bent
	Bent symmetry at 107° More...

struct	Scine::Molassembler::Shapes::Data::EquilateralTriangle
	Equilateral triangle shape (planar) More...

struct	Scine::Molassembler::Shapes::Data::VacantTetrahedron
	Mono-vacant tetrahedron shape. More...

struct	Scine::Molassembler::Shapes::Data::T
	A T-shaped symmetry. More...

struct	Scine::Molassembler::Shapes::Data::Tetrahedron
	A regular tetrahedron shape. More...

struct	Scine::Molassembler::Shapes::Data::Square
	A square planar symmetry. More...

struct	Scine::Molassembler::Shapes::Data::Seesaw
	A seesaw shape. More...

struct	Scine::Molassembler::Shapes::Data::TrigonalPyramid
	A face-centered trigonal pyramid shape = trig. pl. + an axial ligand. More...

struct	Scine::Molassembler::Shapes::Data::SquarePyramid
	A square pyramid shape, the J1 solid (central position is square-face centered) More...

struct	Scine::Molassembler::Shapes::Data::TrigonalBipyramid
	A trigonal bipyramid shape, the J12 solid. More...

struct	Scine::Molassembler::Shapes::Data::Pentagon
	A pentagon shape (planar) More...

struct	Scine::Molassembler::Shapes::Data::Octahedron
	A regular octahedron. More...

struct	Scine::Molassembler::Shapes::Data::TrigonalPrism
	A regular trigonal prism shape. More...

struct	Scine::Molassembler::Shapes::Data::PentagonalPyramid
	A pentagonal pyramid shape, the J2 solid. More...

struct	Scine::Molassembler::Shapes::Data::Hexagon
	Hexagon shape (planar) More...

struct	Scine::Molassembler::Shapes::Data::PentagonalBipyramid
	A pentagonal bipyramid shape, the J13 solid. More...

struct	Scine::Molassembler::Shapes::Data::CappedOctahedron
	A capped octahedron shape. More...

struct	Scine::Molassembler::Shapes::Data::CappedTrigonalPrism
	A capped trigonal prism shape, spherized J49 solid in C2v. More...

struct	Scine::Molassembler::Shapes::Data::SquareAntiprism
	Regular square antiprism shape. More...

struct	Scine::Molassembler::Shapes::Data::Cube
	A regular cube. More...

struct	Scine::Molassembler::Shapes::Data::TrigonalDodecahedron
	Trigonal dodecahedron, snub disphenoid shape, spherized J84 solid in D2d. More...

struct	Scine::Molassembler::Shapes::Data::HexagonalBipyramid
	Hexagonal bipyramid shape. More...

struct	Scine::Molassembler::Shapes::Data::TricappedTrigonalPrism
	Tricapped trigonal prism, spherized J51 solid in D3h. More...

struct	Scine::Molassembler::Shapes::Data::CappedSquareAntiprism
	Capped square antiprism shape, spherized J10 solid in C4v. More...

struct	Scine::Molassembler::Shapes::Data::HeptagonalBipyramid
	Capped square antiprism shape, spherized J10 solid in C4v. More...

struct	Scine::Molassembler::Shapes::Data::BicappedSquareAntiprism
	Bicapped square antiprism shape, spherized J17 shape in D4h. More...

struct	Scine::Molassembler::Shapes::Data::EdgeContractedIcosahedron
	Edge contracted icosahedron shape. More...

struct	Scine::Molassembler::Shapes::Data::Icosahedron
	Regular icosahedron shape. More...

struct	Scine::Molassembler::Shapes::Data::Cuboctahedron
	Regular cuboctahedron shape with Oh symmetry. More...

Namespaces
	Scine

	Scine::Molassembler
	Central library namespace.

	Scine::Molassembler::Shapes
	Symmetry definitions and properties.

	Scine::Molassembler::Shapes::Data
	All symmetry data classes and some minor helper functions.

Typedefs
using	Scine::Molassembler::Shapes::Data::allShapeDataTypes = std::tuple< Line, Bent, EquilateralTriangle, VacantTetrahedron, T, Tetrahedron, Square, Seesaw, TrigonalPyramid, SquarePyramid, TrigonalBipyramid, Pentagon, Octahedron, TrigonalPrism, PentagonalPyramid, Hexagon, PentagonalBipyramid, CappedOctahedron, CappedTrigonalPrism, SquareAntiprism, Cube, TrigonalDodecahedron, HexagonalBipyramid, TricappedTrigonalPrism, CappedSquareAntiprism, HeptagonalBipyramid, BicappedSquareAntiprism, EdgeContractedIcosahedron, Icosahedron, Cuboctahedron >
	Type collecting all types of the Symmetry classes.

Variables
constexpr unsigned	Scine::Molassembler::Shapes::ORIGIN_PLACEHOLDER = std::numeric_limits<unsigned>::max()
	A placeholder value for constexpr tetrahedra specification of origin.

Detailed Description

Central symmetry data class definitions.

Copyright: This code is licensed under the 3-clause BSD license. Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group. See LICENSE.txt for details.

Data Structures

Namespaces

Typedefs

Variables

Detailed Description