pytme 0.2.3__cp311-cp311-macosx_14_0_arm64.whl → 0.2.5__cp311-cp311-macosx_14_0_arm64.whl
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-0.2.3.data → pytme-0.2.5.data}/scripts/match_template.py +8 -8
- {pytme-0.2.3.data → pytme-0.2.5.data}/scripts/preprocess.py +22 -6
- {pytme-0.2.3.data → pytme-0.2.5.data}/scripts/preprocessor_gui.py +9 -14
- {pytme-0.2.3.dist-info → pytme-0.2.5.dist-info}/METADATA +1 -1
- pytme-0.2.5.dist-info/RECORD +119 -0
- {pytme-0.2.3.dist-info → pytme-0.2.5.dist-info}/WHEEL +1 -1
- {pytme-0.2.3.dist-info → pytme-0.2.5.dist-info}/top_level.txt +1 -0
- scripts/match_template.py +8 -8
- scripts/preprocess.py +22 -6
- scripts/preprocessor_gui.py +9 -14
- tests/__init__.py +0 -0
- tests/data/.DS_Store +0 -0
- tests/data/Blurring/.DS_Store +0 -0
- tests/data/Blurring/blob_width18.npy +0 -0
- tests/data/Blurring/edgegaussian_sigma3.npy +0 -0
- tests/data/Blurring/gaussian_sigma2.npy +0 -0
- tests/data/Blurring/hamming_width6.npy +0 -0
- tests/data/Blurring/kaiserb_width18.npy +0 -0
- tests/data/Blurring/localgaussian_sigma0510.npy +0 -0
- tests/data/Blurring/mean_size5.npy +0 -0
- tests/data/Blurring/ntree_sigma0510.npy +0 -0
- tests/data/Blurring/rank_rank3.npy +0 -0
- tests/data/Maps/.DS_Store +0 -0
- tests/data/Maps/emd_8621.mrc.gz +0 -0
- tests/data/README.md +2 -0
- tests/data/Raw/.DS_Store +0 -0
- tests/data/Raw/em_map.map +0 -0
- tests/data/Structures/.DS_Store +0 -0
- tests/data/Structures/1pdj.cif +3339 -0
- tests/data/Structures/1pdj.pdb +1429 -0
- tests/data/Structures/5khe.cif +3685 -0
- tests/data/Structures/5khe.ent +2210 -0
- tests/data/Structures/5khe.pdb +2210 -0
- tests/data/Structures/5uz4.cif +70548 -0
- tests/preprocessing/__init__.py +0 -0
- tests/preprocessing/test_compose.py +76 -0
- tests/preprocessing/test_frequency_filters.py +178 -0
- tests/preprocessing/test_preprocessor.py +136 -0
- tests/preprocessing/test_utils.py +79 -0
- tests/test_analyzer.py +310 -0
- tests/test_backends.py +375 -0
- tests/test_density.py +508 -0
- tests/test_extensions.py +130 -0
- tests/test_matching_cli.py +283 -0
- tests/test_matching_data.py +162 -0
- tests/test_matching_exhaustive.py +162 -0
- tests/test_matching_memory.py +30 -0
- tests/test_matching_optimization.py +226 -0
- tests/test_matching_utils.py +326 -0
- tests/test_orientations.py +173 -0
- tests/test_packaging.py +95 -0
- tests/test_parser.py +33 -0
- tests/test_structure.py +243 -0
- tme/__init__.py +0 -1
- tme/__version__.py +1 -1
- tme/backends/jax_backend.py +3 -9
- tme/data/scattering_factors.pickle +0 -0
- tme/density.py +14 -10
- tme/external/bindings.cpp +332 -0
- tme/matching_data.py +14 -12
- tme/matching_exhaustive.py +17 -15
- tme/matching_optimization.py +215 -208
- tme/matching_utils.py +1 -0
- tme/preprocessing/_utils.py +14 -14
- tme/preprocessing/composable_filter.py +0 -2
- tme/preprocessing/compose.py +4 -4
- tme/preprocessing/frequency_filters.py +32 -35
- tme/preprocessing/tilt_series.py +198 -117
- tme/preprocessor.py +24 -246
- tme/structure.py +22 -22
- pytme-0.2.3.dist-info/RECORD +0 -75
- tme/matching_memory.py +0 -383
- {pytme-0.2.3.data → pytme-0.2.5.data}/scripts/estimate_ram_usage.py +0 -0
- {pytme-0.2.3.data → pytme-0.2.5.data}/scripts/postprocess.py +0 -0
- {pytme-0.2.3.dist-info → pytme-0.2.5.dist-info}/LICENSE +0 -0
- {pytme-0.2.3.dist-info → pytme-0.2.5.dist-info}/entry_points.txt +0 -0
@@ -20,7 +20,6 @@ class ComposableFilter(ABC):
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Parameters
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----------
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*args : tuple
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Variable length argument list.
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**kwargs : dict
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Returns
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-------
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Dict
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A dictionary representing the result of the filtering operation.
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"""
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tme/preprocessing/compose.py
CHANGED
@@ -17,13 +17,13 @@ class Compose:
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This class allows composing multiple transformations together. Each transformation
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is expected to be a callable that accepts keyword arguments and returns metadata.
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Parameters
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Parameters
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----------
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transforms : Tuple[object]
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A tuple containing transformation objects.
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Returns
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-------
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Dict
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Metadata resulting from the composed transformations.
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@@ -18,12 +18,10 @@ from ._utils import fftfreqn, crop_real_fourier, shift_fourier, compute_fourier_
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class BandPassFilter:
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"""
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either by directly specifying the frequency cutoffs (discrete_bandpass) or
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by using Gaussian functions (gaussian_bandpass).
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Generate bandpass filters in Fourier space.
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Parameters
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----------
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lowpass : float, optional
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The lowpass cutoff, defaults to None.
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highpass : float, optional
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"""
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Generate a bandpass filter using discrete frequency cutoffs.
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----------
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shape : tuple of int
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The shape of the bandpass filter.
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lowpass : float
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**kwargs : dict
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Additional keyword arguments.
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Returns
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Returns
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-------
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BackendArray
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The bandpass filter in Fourier space.
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"""
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shape_is_real_fourier=shape_is_real_fourier,
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compute_euclidean_norm=True,
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)
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highpass = 1e10 if highpass is None else highpass
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grid = be.to_backend_array(grid)
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sampling_rate = be.to_backend_array(sampling_rate)
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highcut = grid.max()
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if lowpass
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highcut =
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lowcut = np.max(2 * sampling_rate / highpass)
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if lowpass is not None:
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highcut = be.max(2 * sampling_rate / lowpass)
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lowcut = 0
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if highpass is not None:
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lowcut = be.max(2 * sampling_rate / highpass)
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bandpass_filter = ((grid <= highcut) & (grid >= lowcut)) * 1.0
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bandpass_filter = shift_fourier(
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data=bandpass_filter, shape_is_real_fourier=shape_is_real_fourier
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)
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**kwargs,
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) -> BackendArray:
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"""
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Generate a bandpass filter using
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Generate a bandpass filter using Gaussians.
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----------
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shape : tuple of int
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The shape of the bandpass filter.
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lowpass : float
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**kwargs : dict
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Additional keyword arguments.
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-------
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BackendArray
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The bandpass filter in Fourier space.
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"""
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class LinearWhiteningFilter:
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"""
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apply linear whitening to the Fourier coefficients.
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Compute Fourier power spectrums and perform whitening.
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----------
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**kwargs : Dict, optional
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Additional keyword arguments.
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References
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----------
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.. [1] de Teresa-Trueba, I.; Goetz, S. K.; Mattausch, A.; Stojanovska, F.; Zimmerli, C. E.;
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data_rfft: BackendArray, n_bins: int = None, batch_dimension: int = None
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) -> Tuple[BackendArray, BackendArray]:
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"""
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Compute the spectrum of the input data.
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Compute the power spectrum of the input data.
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----------
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data_rfft : BackendArray
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The Fourier transform of the input data.
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n_bins : int, optional
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batch_dimension : int, optional
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Batch dimension to average over.
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bins : BackendArray
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Array containing the bin indices for the spectrum.
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radial_averages : BackendArray
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"""
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Apply linear whitening to the data and return the result.
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----------
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data : BackendArray, optional
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The input data, defaults to None.
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data_rfft : BackendArray, optional
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-------
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Filter data and associated parameters.
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"""
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