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Symmetry analysis#196

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Symmetry analysis#196
lucas-wilkins wants to merge 17 commits into
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193-symmetry-analysis

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@lucas-wilkins lucas-wilkins linked an issue Jun 7, 2026 that may be closed by this pull request
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Python Code Coverage: 71%

Coverage Files Table
Name Stmts Miss Cover Missing
pyspinw/__init__.py 21 0 100%
pyspinw/anisotropy.py 77 13 83% 54, 65, 70, 74-76, 81-82, 85, 97, 125, 158, 166
pyspinw/basis.py 64 36 44% 63-77, 81-92, 96-128, 134-135
pyspinw/batch_exchanges.py 92 17 82% 30, 34, 56-71, 134, 139, 184, 189
pyspinw/calculations/energy_minimisation.py 284 22 92% 29, 63, 72, 76, 104, 114, 120, 130, 339, 343, 348-351, 390-391, 524-529, 563
pyspinw/calculations/fibonacci.py 37 6 84% 78-86
pyspinw/calculations/geodesic.py 109 13 88% 116, 290-307
pyspinw/calculations/spherical_integration.py 101 43 57% 29, 43-72, 78-98, 163-164, 170, 175-179, 183-189
pyspinw/calculations/spinwave.py 193 4 98% 35, 277-278, 390
pyspinw/cell_offsets.py 48 9 81% 23, 28, 33, 50-52, 58, 65, 86, 90
pyspinw/checks.py 68 6 91% 65, 72, 98-99, 116, 142
pyspinw/cif.py 64 9 86% 37-38, 41, 56, 59, 112-117
pyspinw/constants.py 2 0 100%
pyspinw/data.py 7 7 0% 3-14
pyspinw/debug_plot.py 14 9 36% 11-25
pyspinw/demo.py 36 32 11% 5-6, 10-61, 65-90, 93
pyspinw/exchange.py 299 103 66% 62, 142, 159, 170, 179, 185-187, 192-193, 199-201, 210, 216-229, 234-235, 250-272, 316-318, 323-325, 381-387, 398, 404, 410, 413-417, 422-424, 435, 448, 478, 487-490, 499-501, 505-507, 516, 526, 558-563, 576, 582, 585-588, 592-594, 613, 623, 647-651, 662, 665-667, 671-673, 689, 699, 745, 750, 755, 758-762, 766-768, 788, 801
pyspinw/exchangegroup.py 73 6 92% 23, 30, 44, 61, 78, 131
pyspinw/exchangemetadata.py 13 3 77% 13, 21-23
pyspinw/experiment.py 22 22 0% 3-39
pyspinw/hamiltonian.py 524 108 79% 51, 102, 106, 109, 112, 118, 125, 135-140, 153, 156, 159, 169-178, 194-195, 226, 372, 444-455, 478, 498-500, 528, 617, 640-668, 688-689, 706-707, 715, 762-763, 823-828, 835, 880, 934-955, 1005, 1012-1016, 1049, 1053, 1059-1060, 1066-1068, 1090-1091, 1102-1105, 1123, 1134-1136, 1171, 1183
pyspinw/instrument.py 7 7 0% 3-22
pyspinw/interface.py 188 65 65% 24-27, 36-40, 45-47, 51, 56-62, 66, 69, 75, 78-81, 128, 225-242, 252, 271-275, 294-296, 332-354, 432, 435, 444, 447, 450, 453, 456, 459, 462, 502-504, 508
pyspinw/lattice_distances.py 79 23 71% 230-301, 304
pyspinw/legacy/genlattice.py 30 30 0% 2-73
pyspinw/legacy/genmagstr.py 59 38 36% 51-101
pyspinw/legacy/supercell.py 33 33 0% 3-63
pyspinw/measurement.py 7 7 0% 3-21
pyspinw/path.py 175 41 77% 21, 26, 32-34, 40-42, 113, 121-122, 165, 168, 171, 184, 189-191, 285, 289-292, 301, 350-355, 359, 364-381
pyspinw/polarisation.py 101 20 80% 28-34, 44, 48-54, 67, 69, 132, 146, 162, 164
pyspinw/sample.py 232 78 66% 33, 53, 63, 87-88, 98, 104-105, 113, 121, 157-233, 254, 257, 270, 315-328, 340, 376, 408-422, 428-429, 460, 533, 562, 573-577
pyspinw/serialisation.py 153 16 90% 30, 41, 45-46, 140, 155, 191, 195, 203, 207, 211, 220, 226, 235, 317-318
pyspinw/site.py 158 31 80% 64, 72, 76-79, 82, 94, 96, 100, 112, 115, 118, 172-181, 186, 191-200, 210, 220, 237, 243, 270, 354
pyspinw/sitemeta.py 43 2 95% 34, 41
pyspinw/structures.py 192 72 62% 39, 42, 48-63, 67-70, 114, 124-129, 142, 215, 232-234, 238-244, 248-260, 265-278, 282, 286-298, 320, 341-342, 352-353, 359-383
pyspinw/subsystems.py 38 0 100%
pyspinw/symmetry/bravais.py 13 0 100%
pyspinw/symmetry/build_spacegroup_lookup_data.py 149 149 0% 5-301
pyspinw/symmetry/canonise.py 4 0 100%
pyspinw/symmetry/data/msg_symbols.py 17 0 100%
pyspinw/symmetry/geometry.py 30 30 0% 2-64
pyspinw/symmetry/group.py 226 72 68% 55, 61-92, 128-131, 138, 142, 204, 218-225, 232-235, 245-273, 286, 292, 439, 443, 453-463, 476-486, 516-517, 525-530
pyspinw/symmetry/operations.py 169 54 68% 24, 29, 33, 38, 42, 48, 54, 58, 89-90, 94, 103, 114-129, 148-151, 185, 190, 195, 199, 203, 207, 212, 236-265, 331
pyspinw/symmetry/settings.py 90 5 94% 56, 95-96, 101, 135
pyspinw/symmetry/spacegroup_lookup.py 41 0 100%
pyspinw/symmetry/supercell.py 309 33 89% 83, 87, 91, 97, 129, 163-165, 174, 178, 182, 223, 235, 239, 307-309, 319, 384, 436, 447, 469-472, 502, 514, 552, 564, 578, 583-585
pyspinw/symmetry/symmetry_checking.py 33 33 0% 2-61
pyspinw/symmetry/symmetry_settings.py 17 6 65% 14-16, 21, 26, 31
pyspinw/symmetry/system.py 187 54 71% 85-90, 99-103, 109-133, 140, 143, 171, 181-184, 208, 217-220, 246, 258-261, 283, 293-296, 320, 329-332, 354, 363-366, 387, 397-400, 419-422, 428-430
pyspinw/symmetry/unitcell.py 96 21 78% 27-28, 62-64, 74, 78, 82, 87, 96, 99, 104, 107, 116-121, 194, 198, 212, 227
pyspinw/symmetry/variable_reduction.py 145 130 10% 7-31, 62, 66-71, 81-147, 157-223, 227-269, 273, 276, 279-319
pyspinw/tolerances.py 10 0 100%
pyspinw/units.py 20 5 75% 23, 28-32
pyspinw/util.py 70 19 73% 27-29, 44-58, 109-115, 118, 133
pyspinw/windows_parallelisation.py 12 6 50% 11-15, 36-38
TOTAL 5281 1548 71%

6 empty files skipped.

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Symmetry Analysis

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