pytme 0.3.1.post2__tar.gz → 0.3.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {pytme-0.3.1.post2 → pytme-0.3.2}/PKG-INFO +3 -2
- {pytme-0.3.1.post2 → pytme-0.3.2}/pyproject.toml +4 -3
- {pytme-0.3.1.post2 → pytme-0.3.2}/pytme.egg-info/SOURCES.txt +0 -4
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/match_template.py +213 -196
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/postprocess.py +40 -78
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/preprocess.py +4 -5
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/preprocessor_gui.py +49 -103
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/pytme_runner.py +46 -69
- pytme-0.3.2/tests/preprocessing/test_compose.py +77 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/preprocessing/test_frequency_filters.py +17 -32
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/preprocessing/test_preprocessor.py +0 -19
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/preprocessing/test_utils.py +13 -1
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_analyzer.py +2 -10
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_backends.py +47 -18
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_density.py +72 -13
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_extensions.py +1 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_cli.py +23 -9
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_exhaustive.py +5 -5
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_utils.py +3 -3
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_orientations.py +12 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_rotations.py +13 -23
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_structure.py +1 -7
- pytme-0.3.2/tme/__version__.py +1 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/aggregation.py +47 -16
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/base.py +34 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/peaks.py +26 -13
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/proxy.py +14 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/_jax_utils.py +91 -68
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/cupy_backend.py +6 -19
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/jax_backend.py +103 -98
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/matching_backend.py +0 -17
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/mlx_backend.py +0 -29
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/npfftw_backend.py +100 -97
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/pytorch_backend.py +65 -78
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/cli.py +2 -2
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/density.py +44 -57
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/filters/_utils.py +52 -24
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/filters/bandpass.py +99 -105
- pytme-0.3.2/tme/filters/compose.py +176 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/filters/ctf.py +51 -102
- pytme-0.3.2/tme/filters/reconstruction.py +164 -0
- pytme-0.3.2/tme/filters/wedge.py +577 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/filters/whitening.py +39 -75
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/mask.py +2 -2
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/matching_data.py +87 -15
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/matching_exhaustive.py +70 -120
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/matching_optimization.py +9 -63
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/matching_scores.py +261 -100
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/matching_utils.py +150 -91
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/memory.py +1 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/orientations.py +17 -3
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/preprocessor.py +0 -239
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/rotations.py +102 -70
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/structure.py +601 -631
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/types.py +1 -0
- pytme-0.3.1.post2/tests/data/Maps/emd_8621.mrc.gz +0 -0
- pytme-0.3.1.post2/tests/data/Structures/.DS_Store +0 -0
- pytme-0.3.1.post2/tests/data/Structures/5uz4.cif +0 -70548
- pytme-0.3.1.post2/tests/preprocessing/test_compose.py +0 -76
- pytme-0.3.1.post2/tme/__version__.py +0 -1
- pytme-0.3.1.post2/tme/backends/_cupy_utils.py +0 -735
- pytme-0.3.1.post2/tme/filters/compose.py +0 -82
- pytme-0.3.1.post2/tme/filters/reconstruction.py +0 -219
- pytme-0.3.1.post2/tme/filters/wedge.py +0 -606
- {pytme-0.3.1.post2 → pytme-0.3.2}/LICENSE +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/MANIFEST.in +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/README.md +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/estimate_memory_usage.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/eval.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/extract_candidates.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/match_template_filters.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/scripts/refine_matches.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/setup.cfg +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/setup.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/.DS_Store +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/.DS_Store +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/blob_width18.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/edgegaussian_sigma3.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/gaussian_sigma2.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/hamming_width6.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/kaiserb_width18.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/localgaussian_sigma0510.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/mean_size5.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/ntree_sigma0510.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Blurring/rank_rank3.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/README.md +0 -0
- {pytme-0.3.1.post2/tests/data/Maps → pytme-0.3.2/tests/data/Raw}/.DS_Store +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Raw/em_map.map +0 -0
- {pytme-0.3.1.post2/tests/data/Raw → pytme-0.3.2/tests/data/Structures}/.DS_Store +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Structures/1pdj.cif +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Structures/1pdj.pdb +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Structures/5khe.cif +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Structures/5khe.ent +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/data/Structures/5khe.pdb +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/preprocessing/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_data.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_memory.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_matching_optimization.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tests/test_parser.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/analyzer/_utils.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/backends/_numpyfftw_utils.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48n309.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48n527.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48n9.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u1.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u1153.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u1201.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u1641.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u181.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u2219.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u27.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u2947.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u3733.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u4749.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u5879.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u7111.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u815.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u83.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c48u8649.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c600v.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/c600vc.npy +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/metadata.yaml +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/quat_to_numpy.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/data/scattering_factors.pickle +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/external/bindings.cpp +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/filters/__init__.py +0 -0
- {pytme-0.3.1.post2 → pytme-0.3.2}/tme/parser.py +0 -0
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Metadata-Version: 2.4
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Name: pytme
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Version: 0.3.
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Version: 0.3.2
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Summary: Python Template Matching Engine
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Author: Valentin Maurer
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Author-email: Valentin Maurer <valentin.maurer@embl-hamburg.de>
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authors = [
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description="Python Template Matching Engine"
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