Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::Shapes::Data Namespace Reference

All symmetry data classes and some minor helper functions. More...

Data Structures

struct  Line
 Line shape. More...
 
struct  Bent
 Bent symmetry at 107° More...
 
struct  EquilateralTriangle
 Equilateral triangle shape (planar) More...
 
struct  VacantTetrahedron
 Mono-vacant tetrahedron shape. More...
 
struct  T
 A T-shaped symmetry. More...
 
struct  Tetrahedron
 A regular tetrahedron shape. More...
 
struct  Square
 A square planar symmetry. More...
 
struct  Seesaw
 A seesaw shape. More...
 
struct  TrigonalPyramid
 A face-centered trigonal pyramid shape = trig. pl. + an axial ligand. More...
 
struct  SquarePyramid
 A square pyramid shape, the J1 solid (central position is square-face centered) More...
 
struct  TrigonalBipyramid
 A trigonal bipyramid shape, the J12 solid. More...
 
struct  Pentagon
 A pentagon shape (planar) More...
 
struct  Octahedron
 A regular octahedron. More...
 
struct  TrigonalPrism
 A regular trigonal prism shape. More...
 
struct  PentagonalPyramid
 A pentagonal pyramid shape, the J2 solid. More...
 
struct  Hexagon
 Hexagon shape (planar) More...
 
struct  PentagonalBipyramid
 A pentagonal bipyramid shape, the J13 solid. More...
 
struct  CappedOctahedron
 A capped octahedron shape. More...
 
struct  CappedTrigonalPrism
 A capped trigonal prism shape, spherized J49 solid in C2v. More...
 
struct  SquareAntiprism
 Regular square antiprism shape. More...
 
struct  Cube
 A regular cube. More...
 
struct  TrigonalDodecahedron
 Trigonal dodecahedron, snub disphenoid shape, spherized J84 solid in D2d. More...
 
struct  HexagonalBipyramid
 Hexagonal bipyramid shape. More...
 
struct  TricappedTrigonalPrism
 Tricapped trigonal prism, spherized J51 solid in D3h. More...
 
struct  CappedSquareAntiprism
 Capped square antiprism shape, spherized J10 solid in C4v. More...
 
struct  HeptagonalBipyramid
 Capped square antiprism shape, spherized J10 solid in C4v. More...
 
struct  BicappedSquareAntiprism
 Bicapped square antiprism shape, spherized J17 shape in D4h. More...
 
struct  EdgeContractedIcosahedron
 Edge contracted icosahedron shape. More...
 
struct  Icosahedron
 Regular icosahedron shape. More...
 
struct  Cuboctahedron
 Regular cuboctahedron shape with Oh symmetry. More...
 

Typedefs

using 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.
 

Detailed Description

All symmetry data classes and some minor helper functions.

Each symmetry data class follows a concept seen in the .cpp file