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Molassembler
1.0.0
Molecule graph and conformer library
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Molassembler
1.0.0
Molecule graph and conformer library
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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. | |
All symmetry data classes and some minor helper functions.
Each symmetry data class follows a concept seen in the .cpp file