scipion-em-xmipp 23.11.0.1__tar.gz → 24.12.2__tar.gz

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Files changed (239) hide show
  1. scipion-em-xmipp-23.11.0.1/CHANGES.md → scipion-em-xmipp-24.12.2/CHANGELOG.md +81 -1
  2. {scipion-em-xmipp-23.11.0.1/scipion_em_xmipp.egg-info → scipion-em-xmipp-24.12.2}/PKG-INFO +3 -3
  3. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/requirements.txt +4 -2
  4. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2/scipion_em_xmipp.egg-info}/PKG-INFO +3 -3
  5. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/scipion_em_xmipp.egg-info/SOURCES.txt +14 -19
  6. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/scipion_em_xmipp.egg-info/requires.txt +3 -2
  7. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/setup.py +5 -4
  8. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/__init__.py +109 -92
  9. scipion-em-xmipp-24.12.2/xmipp3/checkProtocolsConf.py +117 -0
  10. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/constants.py +3 -0
  11. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/convert/convert.py +60 -34
  12. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/__init__.py +9 -9
  13. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_angular_graph_consistency.py +1 -1
  14. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_apply_tilt_to_ctf.py +114 -0
  15. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_cl2d.py +15 -9
  16. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_cl2d_clustering.py +303 -0
  17. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_classify_pca.py +468 -0
  18. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_classify_pca_streaming.py +495 -0
  19. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_compare_reprojections.py +637 -0
  20. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_convert_pdb.py +13 -5
  21. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_core_analysis.py +8 -9
  22. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_create_gallery.py +84 -12
  23. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ctf_consensus.py +186 -273
  24. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ctf_defocus_group.py +4 -4
  25. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ctf_micrographs.py +13 -10
  26. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_deep_center.py +148 -0
  27. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_deep_center_predict.py +140 -0
  28. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_denoise_particles.py +5 -4
  29. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_extract_particles.py +10 -8
  30. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_flexalign.py +46 -47
  31. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_generate_reprojections.py +20 -16
  32. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_mics_defocus_balancer.py +341 -0
  33. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_movie_alignment_consensus.py +602 -0
  34. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_movie_dose_analysis.py +157 -96
  35. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_movie_gain.py +5 -1
  36. scipion-em-xmipp-24.12.2/xmipp3/protocols/protocol_movie_max_shift.py +459 -0
  37. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_multireference_alignability.py +2 -6
  38. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_particle_pick_automatic.py +1 -1
  39. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_particle_pick_consensus.py +2 -1
  40. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_particle_pick_remove_duplicates.py +14 -4
  41. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_process.py +5 -1
  42. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_projmatch/protocol_projmatch.py +3 -3
  43. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_reconstruct_fourier.py +76 -16
  44. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_reconstruct_highres.py +15 -2
  45. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution_bfactor.py +24 -12
  46. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution_deepres.py +3 -2
  47. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_screen_deepConsensus.py +2 -2
  48. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_screen_particles.py +6 -3
  49. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_simulate_ctf.py +24 -2
  50. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_subtract_projection.py +89 -28
  51. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_tilt_analysis.py +130 -201
  52. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_trigger_data.py +22 -12
  53. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_validate_fscq.py +130 -47
  54. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_validate_nontilt.py +0 -3
  55. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_adjust_sub.py +0 -4
  56. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_local_adjust.py +4 -0
  57. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_local_sharpening.py +34 -24
  58. scipion-em-xmipp-24.12.2/xmipp3/protocols.conf +233 -0
  59. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_convert_xmipp.py +41 -41
  60. scipion-em-xmipp-24.12.2/xmipp3/tests/test_protocols_deepcenter_predict.py +66 -0
  61. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_xmipp_2d.py +203 -32
  62. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_xmipp_3d.py +63 -755
  63. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_xmipp_mics.py +45 -6
  64. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_xmipp_movies.py +126 -198
  65. scipion-em-xmipp-24.12.2/xmipp3/version.py +38 -0
  66. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/__init__.py +4 -4
  67. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer.py +32 -35
  68. scipion-em-xmipp-24.12.2/xmipp3/viewers/viewer_apply_tilt_to_ctf.py +81 -0
  69. scipion-em-xmipp-24.12.2/xmipp3/viewers/viewer_cl2d_clustering.py +131 -0
  70. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_extract_asymmetric_unit.py +0 -2
  71. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_movie_alignment.py +43 -6
  72. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_projmatch.py +1 -1
  73. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_structure_map.py +1 -1
  74. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_validate_fscq.py +41 -52
  75. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_angular_resolution_alignment.py +0 -204
  76. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_compare_reprojections.py +0 -305
  77. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_deep_center_assignment.py +0 -261
  78. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_deep_denoising.py +0 -425
  79. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_metaprotocol_create_subset.py +0 -96
  80. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_metaprotocol_golden_highres.py +0 -663
  81. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_movie_max_shift.py +0 -391
  82. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_movie_opticalflow.py +0 -415
  83. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_solid_angles.py +0 -632
  84. scipion-em-xmipp-23.11.0.1/xmipp3/protocols/protocol_split_volume.py +0 -112
  85. scipion-em-xmipp-23.11.0.1/xmipp3/protocols.conf +0 -204
  86. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocol_deep_center_assignment.py +0 -132
  87. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocol_deep_denoising.py +0 -64
  88. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocols_angular_resolution_alignment.py +0 -88
  89. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocols_metaprotocol_golden_highres.py +0 -96
  90. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocols_mixed_movies.py +0 -149
  91. scipion-em-xmipp-23.11.0.1/xmipp3/tests/test_protocols_solid_angles.py +0 -161
  92. scipion-em-xmipp-23.11.0.1/xmipp3/viewers/viewer_angular_resolution_alignment.py +0 -148
  93. scipion-em-xmipp-23.11.0.1/xmipp3/viewers/viewer_metaprotocol_golden_highres.py +0 -140
  94. scipion-em-xmipp-23.11.0.1/xmipp3/viewers/viewer_solid_angles.py +0 -91
  95. scipion-em-xmipp-23.11.0.1/xmipp3/viewers/viewer_split_volume.py +0 -57
  96. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/LICENSE +0 -0
  97. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/MANIFEST.in +0 -0
  98. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/README.md +0 -0
  99. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/scipion_em_xmipp.egg-info/dependency_links.txt +0 -0
  100. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/scipion_em_xmipp.egg-info/entry_points.txt +0 -0
  101. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/scipion_em_xmipp.egg-info/top_level.txt +0 -0
  102. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/setup.cfg +0 -0
  103. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/base.py +0 -0
  104. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/bibtex.py +0 -0
  105. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/convert/__init__.py +0 -0
  106. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/convert/dataimport.py +0 -0
  107. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/convert/io_coordinates.py +0 -0
  108. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/programs.py +0 -0
  109. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_align_volume.py +0 -0
  110. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_align_volume_and_particles.py +0 -0
  111. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_analyze_local_ctf.py +0 -0
  112. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_apply_alignment.py +0 -0
  113. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_apply_transformation_matrix.py +0 -0
  114. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_apply_zernike3d.py +0 -0
  115. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_assignment_tilt_pair.py +0 -0
  116. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_break_symmetry.py +0 -0
  117. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_center_particles.py +0 -0
  118. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_cl2d_align.py +0 -0
  119. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_classes_2d_mapping.py +0 -0
  120. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_compare_angles.py +0 -0
  121. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_consensus_classes.py +0 -0
  122. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_consensus_local_ctf.py +0 -0
  123. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ctf_correct_wiener2d.py +0 -0
  124. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_deep_hand.py +0 -0
  125. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_deep_micrograph_screen.py +0 -0
  126. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_eliminate_empty_images.py +0 -0
  127. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_enrich.py +0 -0
  128. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_extract_asymmetric_unit.py +0 -0
  129. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_extract_particles_movies.py +0 -0
  130. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_extract_particles_pairs.py +0 -0
  131. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_helical_parameters.py +0 -0
  132. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_kerdensom.py +0 -0
  133. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_local_ctf.py +0 -0
  134. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ml2d.py +0 -0
  135. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_movie_split_frames.py +0 -0
  136. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_multiple_fscs.py +0 -0
  137. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_normalize_strain.py +0 -0
  138. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_particle_pick.py +0 -0
  139. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_particle_pick_pairs.py +0 -0
  140. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_phantom_create.py +0 -0
  141. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_pick_noise.py +0 -0
  142. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_postProcessing_deepPostProcessing.py +0 -0
  143. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/__init__.py +0 -0
  144. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/geometrical_mask.py +0 -0
  145. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_add_noise.py +0 -0
  146. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_create_mask2d.py +0 -0
  147. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_create_mask3d.py +0 -0
  148. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_crop_resize.py +0 -0
  149. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_filter.py +0 -0
  150. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_image_operate.py +0 -0
  151. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_mask.py +0 -0
  152. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_movie_resize.py +0 -0
  153. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess/protocol_preprocess.py +0 -0
  154. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_preprocess_micrographs.py +0 -0
  155. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_projmatch/__init__.py +0 -0
  156. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_projmatch/projmatch_form.py +0 -0
  157. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_projmatch/projmatch_initialize.py +0 -0
  158. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_projmatch/projmatch_steps.py +0 -0
  159. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_random_conical_tilt.py +0 -0
  160. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_ransac.py +0 -0
  161. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_reconstruct_significant.py +0 -0
  162. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_reconstruct_swarm.py +0 -0
  163. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution3d.py +0 -0
  164. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution_directional.py +0 -0
  165. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution_fso.py +0 -0
  166. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_resolution_monogenic_signal.py +0 -0
  167. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_rotate_volume.py +0 -0
  168. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_rotational_symmetry.py +0 -0
  169. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_screen_deeplearning.py +0 -0
  170. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_shift_particles.py +0 -0
  171. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_shift_volume.py +0 -0
  172. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_structure_map.py +0 -0
  173. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_structure_map_zernike3d.py +0 -0
  174. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_validate_overfitting.py +0 -0
  175. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_consensus.py +0 -0
  176. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_deform_zernike3d.py +0 -0
  177. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_volume_strain.py +0 -0
  178. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_write_testC.py +0 -0
  179. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/protocols/protocol_write_testP.py +0 -0
  180. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/__init__.py +0 -0
  181. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_angular_graph_consistency.py +0 -0
  182. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_apply_transformation_matrix.py +0 -0
  183. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_compare_angles.py +0 -0
  184. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_consensus_classes3D.py +0 -0
  185. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_ctf_consensus.py +0 -0
  186. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_extract_asymmetric_unit.py +0 -0
  187. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_monodir.py +0 -0
  188. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_multiple_fsc.py +0 -0
  189. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_multireference_alignability.py +0 -0
  190. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_reconstruct_fourier.py +0 -0
  191. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_screen_deepConsensus.py +0 -0
  192. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_simulate_ctf.py +0 -0
  193. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_validate_fscq.py +0 -0
  194. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocol_validate_overfitting.py +0 -0
  195. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_add_noise.py +0 -0
  196. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_continuousflex.py +0 -0
  197. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_deepVolPostprocessing.py +0 -0
  198. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_deepres.py +0 -0
  199. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_fso.py +0 -0
  200. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_highres.py +0 -0
  201. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_local_defocus.py +0 -0
  202. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_localdeblur.py +0 -0
  203. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_monores.py +0 -0
  204. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_realignment_classes.py +0 -0
  205. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_xmipp_movie_resize.py +0 -0
  206. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/tests/test_protocols_zernike3d.py +0 -0
  207. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/utils.py +0 -0
  208. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/plotter.py +0 -0
  209. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_analyze_local_ctf.py +0 -0
  210. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_cl2d.py +0 -0
  211. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_consensus_classes.py +0 -0
  212. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_ctf_consensus.py +0 -0
  213. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_deepEMHancer.py +0 -0
  214. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_deep_consensus.py +0 -0
  215. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_deep_micrograph_cleaner.py +0 -0
  216. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_dose_analysis.py +0 -0
  217. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_eliminate_empty_images.py +0 -0
  218. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_local_sharpening.py +0 -0
  219. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_ml2d.py +0 -0
  220. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_normalize_strain.py +0 -0
  221. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_pdb_deform_zernike3d.py +0 -0
  222. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_ransac.py +0 -0
  223. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_reconstruct_highres.py +0 -0
  224. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution3d.py +0 -0
  225. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution_bfactor.py +0 -0
  226. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution_deepres.py +0 -0
  227. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution_directional.py +0 -0
  228. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution_fso.py +0 -0
  229. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_resolution_monogenic_signal.py +0 -0
  230. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_subtract_projection.py +0 -0
  231. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_swarm.py +0 -0
  232. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_validate_nontilt.py +0 -0
  233. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_validate_overfitting.py +0 -0
  234. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_volume_consensus.py +0 -0
  235. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_volume_deform_zernike3d.py +0 -0
  236. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_volume_strain.py +0 -0
  237. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/viewers/viewer_volume_subtraction.py +0 -0
  238. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/wizards.py +0 -0
  239. {scipion-em-xmipp-23.11.0.1 → scipion-em-xmipp-24.12.2}/xmipp3/xmipp_logo.png +0 -0
@@ -1,3 +1,83 @@
1
+ ## Release 3.24.12.2 - Poseidon
2
+ - More scipion-em-xmipp
3
+ - Updating version for pypi requirements
4
+ - Bug cloning tag
5
+ ## Release 3.24.12 - Poseidon
6
+ - New protocols
7
+ - apply_tilt_to_ctf: Apply a local deviation to the CTF based on the micrograph's tilt
8
+ angle
9
+ - mics_defocus_balancer: It takes as input a certain number of CTFs and makes a balanced sampling of N images based on the defocus U values
10
+ - deep_center_predict: Center a set of particles in 2D using a neural network
11
+ - cl2d_clustering: 2D clustering protocol to group similar images (2D Averages or 2D Classes)
12
+
13
+ - Protocols updated
14
+ - flexalign: Added support for reading EER. Optimized and refactor the streaming, the continue action stabilized. FlexAlign can run multiple times in a single GPU or in multiple GPUs from within Scipion3.
15
+ - convert_pdb: now can read cif
16
+ - create_gallery: Allow Scipion protocol create gallery to access missing projection options
17
+ - ctf_consensus: optimized and refactor the streaming, the continue action stabilized. Remove parallelization
18
+ - movie_dose_analysis: optimized and refactor the streaming, the continue action stabilized
19
+ - movie_max_shift: optimized and refactor the streaming, the continue action stabilized, Remove parallelization
20
+ - tilt_analysis: optimized and refactor the streaming, the continue action stabilized
21
+ - subtract_projection: Adaptations for new logic in Xmipp program
22
+ - reconstruct_highres: Add GPU use for local angle assignment
23
+
24
+ - Protocols fixed
25
+ - trigger_data: Fix the way we split the output
26
+ - subtract_projection: fnMask sub
27
+ - classify_pca: Bug fix in the validate function
28
+ - reconstruct_fourier: Fourier reconstruction now allows performing the CTF correction inside the same protocol.
29
+ - volume_local_sharpening: local deblur performs now a single iteration by defaul
30
+ - movie_max_shift: fixed with several parallel threads in streaming
31
+ - reconstruct_highres: add unassigned vars fnVol1 fnVol2 to set loop
32
+ - ctf_defocus_group: fix when testing multiple downsampling factors
33
+ - ctf_micrographs: fix when testing multiple downsampling factors
34
+
35
+ - Protocols deprecated (For more details visit [this](https://github.com/I2PC/xmipp/wiki/Deprecating-programs-and-protocols))
36
+ - angular_resolution_alignment
37
+ - movie_opticalflow.py
38
+
39
+ - More scipion-em-xmipp
40
+ - scikit-learn updated to 1.2
41
+ - protocols.conf list completed. All protocols are listed and clustered in Scipion
42
+
43
+ ## Release 3.24.06 - Oceanus
44
+ - New protocols
45
+ - movie_alignment_consensus: protocol for the comparison of two global alignments
46
+ - PCA classification: 2D Classification method that can works in streaming and in static
47
+
48
+ - Protocols updated
49
+ - deep_center: Deep center calculates an approximate center for the particles.
50
+ - validate_fscq: Added cif support
51
+ - reconstruct_fourier: Enable reconstructing with halves in the reconstruct fourier
52
+ - simulate_ctf: Simulate CTF can add noise before and after CTF.
53
+ - extract_particles: Local average added
54
+ - compare_reprojections: Downsampling option,autodown sampling, allows input 2D in several formats, allows input 3D in several formats, ranking option available, extraction option available
55
+ - cl2d: ensuring a save classes creating and adding possible output
56
+ - Protocols fixed
57
+ - resolution_deepres:now works with queue system
58
+ - ProcessVolumes: Fix header for resize voxels
59
+ - resolution_bfactor:Fix local resolution to local bfactor
60
+ - resolution_bfactor: create output for res bfac
61
+ - extract_particles: Bug fix in the downsampling factor of extract particles
62
+ - core_analysis: define correctly the particles pointer to have indirect pointer
63
+ - tilt_analysis: estimate automatically the window size new option
64
+ - movie_doseanalysis: update correctly the outputSet
65
+ - extract_particles: Check if resizing is enabled
66
+ - particle_pick_remove_duplicates: Remove duplicates coordinates
67
+ - Protocols deprecated (For more details visit [this](https://github.com/I2PC/xmipp/wiki/Deprecating-programs-and-protocols))
68
+ - deep_denoissing
69
+ - metaprotocol_create_subset
70
+ - metaprotocol_golden_highres
71
+ - solid_angle
72
+ - split_volume
73
+ - More scipion-em-xmipp
74
+ - Solve Sonar Cloud reported bugs
75
+ - Flexible import of pyQT on chimera script
76
+ - Removing tkAgg matplotlib requirement in viewer_structure_map
77
+ - DLTK installation bug local variable and Fix use gpu
78
+ - updated scikit-learn version
79
+
80
+
1
81
  ## Release 3.23.11 - Nereus
2
82
  - New protocols
3
83
  - Volume local adjustment
@@ -20,7 +100,7 @@
20
100
  - classification_gpuCorr
21
101
  - classification_gpuCorr_full
22
102
  - classification_gpuCorr_semi
23
- - More scipio-em-xmipp
103
+ - More scipion-em-xmipp
24
104
  - Updated Nvidia driver required version
25
105
 
26
106
 
@@ -1,10 +1,10 @@
1
1
  Metadata-Version: 1.0
2
2
  Name: scipion-em-xmipp
3
- Version: 23.11.0.1
4
- Summary: Plugin to use Xmipp programs within the Scipion framework (see https://scipion-em.github.io/docs/).
3
+ Version: 24.12.2
4
+ Summary: Plugin to use Xmipp programs within the Scipion framework (see https://xmipp.i2pc.es/).
5
5
  Home-page: https://github.com/i2pc/scipion-em-xmipp
6
6
  Author: I2PC
7
- Author-email: scipion@cnb.csic.es
7
+ Author-email: xmipp@cnb.csic.es
8
8
  License: UNKNOWN
9
9
  Description: [![Build](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml/badge.svg)](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml)
10
10
 
@@ -1,9 +1,11 @@
1
1
  scipion-pyworkflow>=3.0.31
2
- scikit-learn==0.22
2
+ scikit-learn>=1.2
3
+ scikit-image
3
4
  scipion-em
5
+ scipion-app
4
6
  scipy<=1.10.0
5
7
  joblib
6
8
  peppercorn
7
9
  plotter
8
- scons
9
10
  PyWavelets
11
+
@@ -1,10 +1,10 @@
1
1
  Metadata-Version: 1.0
2
2
  Name: scipion-em-xmipp
3
- Version: 23.11.0.1
4
- Summary: Plugin to use Xmipp programs within the Scipion framework (see https://scipion-em.github.io/docs/).
3
+ Version: 24.12.2
4
+ Summary: Plugin to use Xmipp programs within the Scipion framework (see https://xmipp.i2pc.es/).
5
5
  Home-page: https://github.com/i2pc/scipion-em-xmipp
6
6
  Author: I2PC
7
- Author-email: scipion@cnb.csic.es
7
+ Author-email: xmipp@cnb.csic.es
8
8
  License: UNKNOWN
9
9
  Description: [![Build](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml/badge.svg)](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml)
10
10
 
@@ -1,4 +1,4 @@
1
- CHANGES.md
1
+ CHANGELOG.md
2
2
  LICENSE
3
3
  MANIFEST.in
4
4
  README.md
@@ -13,10 +13,12 @@ scipion_em_xmipp.egg-info/top_level.txt
13
13
  xmipp3/__init__.py
14
14
  xmipp3/base.py
15
15
  xmipp3/bibtex.py
16
+ xmipp3/checkProtocolsConf.py
16
17
  xmipp3/constants.py
17
18
  xmipp3/programs.py
18
19
  xmipp3/protocols.conf
19
20
  xmipp3/utils.py
21
+ xmipp3/version.py
20
22
  xmipp3/wizards.py
21
23
  xmipp3/xmipp_logo.png
22
24
  xmipp3/convert/__init__.py
@@ -28,8 +30,8 @@ xmipp3/protocols/protocol_align_volume.py
28
30
  xmipp3/protocols/protocol_align_volume_and_particles.py
29
31
  xmipp3/protocols/protocol_analyze_local_ctf.py
30
32
  xmipp3/protocols/protocol_angular_graph_consistency.py
31
- xmipp3/protocols/protocol_angular_resolution_alignment.py
32
33
  xmipp3/protocols/protocol_apply_alignment.py
34
+ xmipp3/protocols/protocol_apply_tilt_to_ctf.py
33
35
  xmipp3/protocols/protocol_apply_transformation_matrix.py
34
36
  xmipp3/protocols/protocol_apply_zernike3d.py
35
37
  xmipp3/protocols/protocol_assignment_tilt_pair.py
@@ -37,7 +39,10 @@ xmipp3/protocols/protocol_break_symmetry.py
37
39
  xmipp3/protocols/protocol_center_particles.py
38
40
  xmipp3/protocols/protocol_cl2d.py
39
41
  xmipp3/protocols/protocol_cl2d_align.py
42
+ xmipp3/protocols/protocol_cl2d_clustering.py
40
43
  xmipp3/protocols/protocol_classes_2d_mapping.py
44
+ xmipp3/protocols/protocol_classify_pca.py
45
+ xmipp3/protocols/protocol_classify_pca_streaming.py
41
46
  xmipp3/protocols/protocol_compare_angles.py
42
47
  xmipp3/protocols/protocol_compare_reprojections.py
43
48
  xmipp3/protocols/protocol_consensus_classes.py
@@ -49,8 +54,8 @@ xmipp3/protocols/protocol_ctf_consensus.py
49
54
  xmipp3/protocols/protocol_ctf_correct_wiener2d.py
50
55
  xmipp3/protocols/protocol_ctf_defocus_group.py
51
56
  xmipp3/protocols/protocol_ctf_micrographs.py
52
- xmipp3/protocols/protocol_deep_center_assignment.py
53
- xmipp3/protocols/protocol_deep_denoising.py
57
+ xmipp3/protocols/protocol_deep_center.py
58
+ xmipp3/protocols/protocol_deep_center_predict.py
54
59
  xmipp3/protocols/protocol_deep_hand.py
55
60
  xmipp3/protocols/protocol_deep_micrograph_screen.py
56
61
  xmipp3/protocols/protocol_denoise_particles.py
@@ -65,13 +70,12 @@ xmipp3/protocols/protocol_generate_reprojections.py
65
70
  xmipp3/protocols/protocol_helical_parameters.py
66
71
  xmipp3/protocols/protocol_kerdensom.py
67
72
  xmipp3/protocols/protocol_local_ctf.py
68
- xmipp3/protocols/protocol_metaprotocol_create_subset.py
69
- xmipp3/protocols/protocol_metaprotocol_golden_highres.py
73
+ xmipp3/protocols/protocol_mics_defocus_balancer.py
70
74
  xmipp3/protocols/protocol_ml2d.py
75
+ xmipp3/protocols/protocol_movie_alignment_consensus.py
71
76
  xmipp3/protocols/protocol_movie_dose_analysis.py
72
77
  xmipp3/protocols/protocol_movie_gain.py
73
78
  xmipp3/protocols/protocol_movie_max_shift.py
74
- xmipp3/protocols/protocol_movie_opticalflow.py
75
79
  xmipp3/protocols/protocol_movie_split_frames.py
76
80
  xmipp3/protocols/protocol_multiple_fscs.py
77
81
  xmipp3/protocols/protocol_multireference_alignability.py
@@ -105,8 +109,6 @@ xmipp3/protocols/protocol_screen_particles.py
105
109
  xmipp3/protocols/protocol_shift_particles.py
106
110
  xmipp3/protocols/protocol_shift_volume.py
107
111
  xmipp3/protocols/protocol_simulate_ctf.py
108
- xmipp3/protocols/protocol_solid_angles.py
109
- xmipp3/protocols/protocol_split_volume.py
110
112
  xmipp3/protocols/protocol_structure_map.py
111
113
  xmipp3/protocols/protocol_structure_map_zernike3d.py
112
114
  xmipp3/protocols/protocol_subtract_projection.py
@@ -147,8 +149,6 @@ xmipp3/tests/test_protocol_apply_transformation_matrix.py
147
149
  xmipp3/tests/test_protocol_compare_angles.py
148
150
  xmipp3/tests/test_protocol_consensus_classes3D.py
149
151
  xmipp3/tests/test_protocol_ctf_consensus.py
150
- xmipp3/tests/test_protocol_deep_center_assignment.py
151
- xmipp3/tests/test_protocol_deep_denoising.py
152
152
  xmipp3/tests/test_protocol_extract_asymmetric_unit.py
153
153
  xmipp3/tests/test_protocol_monodir.py
154
154
  xmipp3/tests/test_protocol_multiple_fsc.py
@@ -159,19 +159,16 @@ xmipp3/tests/test_protocol_simulate_ctf.py
159
159
  xmipp3/tests/test_protocol_validate_fscq.py
160
160
  xmipp3/tests/test_protocol_validate_overfitting.py
161
161
  xmipp3/tests/test_protocols_add_noise.py
162
- xmipp3/tests/test_protocols_angular_resolution_alignment.py
163
162
  xmipp3/tests/test_protocols_continuousflex.py
164
163
  xmipp3/tests/test_protocols_deepVolPostprocessing.py
164
+ xmipp3/tests/test_protocols_deepcenter_predict.py
165
165
  xmipp3/tests/test_protocols_deepres.py
166
166
  xmipp3/tests/test_protocols_fso.py
167
167
  xmipp3/tests/test_protocols_highres.py
168
168
  xmipp3/tests/test_protocols_local_defocus.py
169
169
  xmipp3/tests/test_protocols_localdeblur.py
170
- xmipp3/tests/test_protocols_metaprotocol_golden_highres.py
171
- xmipp3/tests/test_protocols_mixed_movies.py
172
170
  xmipp3/tests/test_protocols_monores.py
173
171
  xmipp3/tests/test_protocols_realignment_classes.py
174
- xmipp3/tests/test_protocols_solid_angles.py
175
172
  xmipp3/tests/test_protocols_xmipp_2d.py
176
173
  xmipp3/tests/test_protocols_xmipp_3d.py
177
174
  xmipp3/tests/test_protocols_xmipp_mics.py
@@ -182,8 +179,9 @@ xmipp3/viewers/__init__.py
182
179
  xmipp3/viewers/plotter.py
183
180
  xmipp3/viewers/viewer.py
184
181
  xmipp3/viewers/viewer_analyze_local_ctf.py
185
- xmipp3/viewers/viewer_angular_resolution_alignment.py
182
+ xmipp3/viewers/viewer_apply_tilt_to_ctf.py
186
183
  xmipp3/viewers/viewer_cl2d.py
184
+ xmipp3/viewers/viewer_cl2d_clustering.py
187
185
  xmipp3/viewers/viewer_consensus_classes.py
188
186
  xmipp3/viewers/viewer_ctf_consensus.py
189
187
  xmipp3/viewers/viewer_deepEMHancer.py
@@ -193,7 +191,6 @@ xmipp3/viewers/viewer_dose_analysis.py
193
191
  xmipp3/viewers/viewer_eliminate_empty_images.py
194
192
  xmipp3/viewers/viewer_extract_asymmetric_unit.py
195
193
  xmipp3/viewers/viewer_local_sharpening.py
196
- xmipp3/viewers/viewer_metaprotocol_golden_highres.py
197
194
  xmipp3/viewers/viewer_ml2d.py
198
195
  xmipp3/viewers/viewer_movie_alignment.py
199
196
  xmipp3/viewers/viewer_normalize_strain.py
@@ -207,8 +204,6 @@ xmipp3/viewers/viewer_resolution_deepres.py
207
204
  xmipp3/viewers/viewer_resolution_directional.py
208
205
  xmipp3/viewers/viewer_resolution_fso.py
209
206
  xmipp3/viewers/viewer_resolution_monogenic_signal.py
210
- xmipp3/viewers/viewer_solid_angles.py
211
- xmipp3/viewers/viewer_split_volume.py
212
207
  xmipp3/viewers/viewer_structure_map.py
213
208
  xmipp3/viewers/viewer_subtract_projection.py
214
209
  xmipp3/viewers/viewer_swarm.py
@@ -1,9 +1,10 @@
1
1
  scipion-pyworkflow>=3.0.31
2
- scikit-learn==0.22
2
+ scikit-learn>=1.2
3
+ scikit-image
3
4
  scipion-em
5
+ scipion-app
4
6
  scipy<=1.10.0
5
7
  joblib
6
8
  peppercorn
7
9
  plotter
8
- scons
9
10
  PyWavelets
@@ -11,7 +11,8 @@ from setuptools import setup, find_packages
11
11
  from codecs import open
12
12
  from os import path
13
13
 
14
- from xmipp3 import XMIPP_URL, __version__
14
+ from xmipp3 import XMIPP_URL
15
+ from xmipp3.version import __version__
15
16
 
16
17
  here = path.abspath(path.dirname(__file__))
17
18
 
@@ -46,12 +47,12 @@ setup(
46
47
  # For a discussion on single-sourcing the version across setup.py and the
47
48
  # project code, see
48
49
  # https://packaging.python.org/en/latest/single_source_version.html
49
- version=__version__, # Required
50
+ version=__version__[3:], # Remove the "3" from the number version
50
51
 
51
52
  # This is a one-line description or tagline of what your project does. This
52
53
  # corresponds to the "Summary" metadata field:
53
54
  # https://packaging.python.org/specifications/core-metadata/#summary
54
- description='Plugin to use Xmipp programs within the Scipion framework (see https://scipion-em.github.io/docs/).',
55
+ description='Plugin to use Xmipp programs within the Scipion framework (see https://xmipp.i2pc.es/).',
55
56
 
56
57
  # This is an optional longer description of your project that represents
57
58
  # the body of text which users will see when they visit PyPI.
@@ -75,7 +76,7 @@ setup(
75
76
 
76
77
  # This should be a valid email address corresponding to the author listed
77
78
  # above.
78
- author_email='scipion@cnb.csic.es', # Optional
79
+ author_email='xmipp@cnb.csic.es', # Optional
79
80
 
80
81
  # Classifiers help users find your project by categorizing it.
81
82
  #
@@ -27,36 +27,59 @@
27
27
  # **************************************************************************
28
28
 
29
29
  import json
30
- import subprocess
31
30
  from datetime import datetime
32
-
33
- from pyworkflow import Config
34
31
  import pwem
32
+ from pyworkflow import Config
35
33
  import pyworkflow.utils as pwutils
36
-
34
+ from scipion.install.funcs import CommandDef
35
+ from scipion import __version__ as scipionAppVersion
36
+ from packaging.version import Version
37
37
  from .base import *
38
- from .constants import XMIPP_HOME, XMIPP_URL, XMIPP_DLTK_NAME
38
+ from .version import *
39
+ from .constants import XMIPP_HOME, XMIPP_URL, XMIPP_DLTK_NAME, XMIPP_CUDA_BIN, XMIPP_CUDA_LIB, XMIPP_GIT_URL
39
40
 
40
- type_of_version = 'release' #'devel'
41
- _logo = "xmipp_logo" + ("" if type_of_version == 'release' else '_devel') + '.png'
42
41
 
43
42
  _references = ['delaRosaTrevin2013', 'Sorzano2013', 'Strelak2021']
44
- _currentBinVersion = '3.23.11.0'
45
- __version__ = _currentBinVersion[2:] + ".1" # Set this to ".0" on each xmipp binary release, otherwise increase it --> ".1", ".2", ...
46
-
43
+ _currentDepVersion = '1.0'
47
44
  # Requirement version variables
48
45
  NVIDIA_DRIVERS_MINIMUM_VERSION = 450
49
46
 
47
+ type_of_version = version.type_of_version
48
+ _logo = version._logo
49
+ _binTagVersion = version._binTagVersion
50
+ _pluginTagVersion= version._pluginTagVersion
51
+ _currentDepVersion = version._currentDepVersion
52
+ __version__ = version.__version__
53
+
54
+
50
55
  class Plugin(pwem.Plugin):
51
56
  _homeVar = XMIPP_HOME
52
57
  _pathVars = [XMIPP_HOME]
53
58
  _supportedVersions = []
54
59
  _url = XMIPP_URL
55
60
  _condaRootPath = None
56
-
61
+ # Refressing the plugin
62
+ # Inspects the call stack to find 'installPipModule' and sets 'self._plugin' to None.
63
+ # Uses CPython's internal API 'PyFrame_LocalsToFast' to sync changes.
64
+ # Risky and CPython-specific; use only if redesign is not possible.
65
+ try:
66
+ import inspect
67
+ import ctypes
68
+ for frameInfo in inspect.stack():
69
+ if frameInfo.function == "installPipModule":
70
+ frame = frameInfo[0]
71
+ frame.f_locals['self']._plugin = None
72
+ ctypes.pythonapi.PyFrame_LocalsToFast(
73
+ ctypes.py_object(frame),
74
+ ctypes.c_int(1))
75
+ except Exception as e:
76
+ print(e)
77
+
57
78
  @classmethod
58
79
  def _defineVariables(cls):
59
- cls._addVar(XMIPP_HOME, pwem.Config.XMIPP_HOME)
80
+ cls._defineEmVar(XMIPP_HOME, pwem.Config.XMIPP_HOME)
81
+ cls._defineVar(XMIPP_CUDA_BIN, pwem.Config.CUDA_BIN)
82
+ cls._defineVar(XMIPP_CUDA_LIB, pwem.Config.CUDA_LIB)
60
83
 
61
84
  @classmethod
62
85
  def getEnviron(cls, xmippFirst=True):
@@ -65,8 +88,8 @@ class Plugin(pwem.Plugin):
65
88
  pos = pwutils.Environ.BEGIN if xmippFirst else pwutils.Environ.END
66
89
 
67
90
  environ.update({
68
- 'PATH': pwem.Config.CUDA_BIN,
69
- 'LD_LIBRARY_PATH': pwem.Config.CUDA_LIB
91
+ 'PATH': cls.getVar(XMIPP_CUDA_BIN),
92
+ 'LD_LIBRARY_PATH': cls.getVar(XMIPP_CUDA_LIB)
70
93
  }, position=pwutils.Environ.END)
71
94
 
72
95
  if os.path.isfile(getXmippPath('xmippEnv.json')):
@@ -117,94 +140,88 @@ class Plugin(pwem.Plugin):
117
140
  Scipion-defined software can be used as dependencies
118
141
  by using its name as string.
119
142
  """
143
+
144
+ # Determine if we are on a development
145
+ bundleDir = cls.__getBundleDirectory()
146
+ develMode = bundleDir is not None
147
+
148
+ COMPILE_TARGETS = [
149
+ 'dist/bin/xmipp_image_header',
150
+ 'dist/xmipp.bashrc'
151
+ ]
152
+
153
+ # When changing dependencies, increment _currentDepVersion
154
+ CONDA_DEPENDENCIES = [
155
+ 'cmake>=3.17',
156
+ 'hdf5>=1.18',
157
+ 'sqlite>=3',
158
+ 'fftw>=3',
159
+ 'mpich-mpicxx',
160
+ 'c-compiler',
161
+ 'cxx-compiler',
162
+ 'make',
163
+ 'openjdk',
164
+ 'libtiff',
165
+ 'libjpeg-turbo'
166
+ ]
167
+
168
+ if os.environ['CONDA_PREFIX'] is not None: # TODO replace with pyworkflow method when available.
169
+ commands = CommandDef('conda install -c conda-forge ' + ' '.join(CONDA_DEPENDENCIES))
170
+ env.addPackage(
171
+ 'xmippDep', version=_currentDepVersion,
172
+ tar='void.tgz',
173
+ commands=commands.getCommands(),
174
+ neededProgs=['conda'],
175
+ default=False
176
+ )
177
+
178
+ if develMode:
179
+ env.addPackage(
180
+ 'xmippDev',
181
+ tar='void.tgz',
182
+ commands=[(f'cd {bundleDir} && ./xmipp', COMPILE_TARGETS)],
183
+ neededProgs=['git', 'gcc', 'g++', 'cmake', 'make'],
184
+ updateCuda=True,
185
+ default=False
186
+ )
187
+
188
+ xmippSrc = f'xmippSrc-{version._binTagVersion}'
189
+ installCommands = [
190
+ (f'cd .. && rm -rf {xmippSrc} && '
191
+ f'git clone {XMIPP_GIT_URL} {xmippSrc} && '
192
+ f'cd {xmippSrc} && '
193
+ f'git checkout {version._binTagVersion} && '
194
+ f'./xmipp --production True ', COMPILE_TARGETS)
195
+ ]
196
+ env.addPackage(
197
+ 'xmippSrc', version=version._binTagVersion,
198
+ tar='void.tgz',
199
+ commands=installCommands,
200
+ neededProgs=['git', 'gcc', 'g++', 'cmake', 'make'],
201
+ updateCuda=True,
202
+ default=not develMode
203
+ )
204
+
205
+ ## EXTRA PACKAGES ##
206
+ installDeepLearningToolkit(cls, env)
120
207
 
121
- ## XMIPP SOFTWARE ##
122
- xmippDeps = [] # Deps should be at requirements.txt (old: scons, joblib, scikit_learn)
123
-
124
- # Installation vars for commands formating
125
- verToken = getXmippPath('v%s' % _currentBinVersion)
126
- confToken = getXmippPath("xmipp.conf")
127
- installVars = {'installedToken': "installation_finished",
128
- 'bindingsToken': "bindings_linked",
129
- 'verToken': verToken,
130
- 'nProcessors': env.getProcessors(),
131
- 'xmippHome': getXmippPath(),
132
- 'bindingsSrc': getXmippPath('bindings', 'python'),
133
- 'bindingsDst': Config.getBindingsFolder(),
134
- 'xmippLib': getXmippPath('lib', 'libXmipp.so'),
135
- 'coreLib': getXmippPath('lib', 'libXmippCore.so'),
136
- 'libsDst': Config.getLibFolder(),
137
- 'confToken': confToken,
138
- 'strPlaceHolder': '%s', # to be replaced in the future
139
- 'currVersion': _currentBinVersion
140
- }
141
-
142
- ## Installation commands (removing bindingsToken)
143
- installCmd = ("cd {cwd} && {configCmd} && {compileCmd} N={nProcessors:d} && "
144
- "ln -srfn build {xmippHome} && cd - && "
145
- "touch {installedToken} && rm {bindingsToken} 2> /dev/null")
146
- installTgt = [getXmippPath('bin', 'xmipp_reconstruct_significant'),
147
- getXmippPath("lib/libXmippJNI.so"),
148
- installVars['installedToken']]
149
-
150
- ## Linking bindings (removing installationToken)
151
- bindingsAndLibsCmd = ("find {bindingsSrc} -maxdepth 1 -mindepth 1 "
152
- r"! -name __pycache__ -exec ln -srfn {{}} {bindingsDst} \; && "
153
- "ln -srfn {coreLib} {libsDst} && "
154
- "touch {bindingsToken} && "
155
- "rm {installedToken} 2> /dev/null")
156
- bindingsAndLibsTgt = [os.path.join(Config.getBindingsFolder(), 'xmipp_base.py'),
157
- os.path.join(Config.getBindingsFolder(), 'xmippLib.so'),
158
- os.path.join(Config.getLibFolder(), 'libXmipp.so'),
159
- installVars['bindingsToken']]
160
-
161
- sourceTgt = [getXmippPath('xmipp.bashrc')] # Target for xmippSrc and xmippDev
162
- ## Allowing xmippDev if devel mode detected
208
+ @classmethod
209
+ def __getBundleDirectory(cls):
163
210
  # plugin = scipion-em-xmipp <-- xmipp3 <-- __init__.py
164
211
  pluginDir = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
165
212
  # bundle = xmipp-bundle <- src <- scipion-em-xmipp
166
213
  bundleDir = os.path.dirname(os.path.dirname(pluginDir))
167
214
 
168
- isPypiDev = os.path.isfile(os.path.join(pluginDir, 'setup.py'))
169
- isXmippBu = (os.path.isdir(os.path.join(bundleDir, 'src')) and
170
- os.path.isfile(os.path.join(bundleDir, 'xmipp')))
171
- develMode = isPypiDev and isXmippBu
172
- if develMode:
173
- env.addPackage('xmippDev', tar='void.tgz',
174
- commands=[(installCmd.format(**installVars,
175
- cwd=bundleDir,
176
- configCmd='pwd',
177
- compileCmd='./xmipp all'),
178
- installTgt+sourceTgt),
179
- (bindingsAndLibsCmd.format(**installVars),
180
- bindingsAndLibsTgt)],
181
- deps=xmippDeps, default=False)
182
-
183
- avoidConfig = os.environ.get('XMIPP_NOCONFIG', 'False') == 'True'
184
- alreadyCompiled = os.path.isfile(getXmippPath('v' + _currentBinVersion)) # compilation token (see the xmipp script)
185
- configSrc = ('./xmipp check_config' if avoidConfig
186
- else './xmipp config noAsk && ./xmipp check_config')
187
- env.addPackage('xmippSrc', version=_currentBinVersion,
188
- # adding 'v' before version to fix a package target (post-link)
189
- tar='xmippSrc-v' + _currentBinVersion + '.tgz',
190
- commands=[(installCmd.format(**installVars, cwd='.',
191
- configCmd=configSrc,
192
- compileCmd='./xmipp compileAndInstall'),
193
- installTgt + sourceTgt),
194
- (bindingsAndLibsCmd.format(**installVars),
195
- bindingsAndLibsTgt)],
196
- deps=xmippDeps, default=not (develMode or alreadyCompiled))
197
-
198
- ## EXTRA PACKAGES ##
199
- installDeepLearningToolkit(cls, env)
200
-
201
-
215
+ isBundle = (os.path.isdir(os.path.join(bundleDir, 'src')) and
216
+ os.path.isfile(os.path.join(bundleDir, 'xmipp')))
217
+
218
+ return bundleDir if isBundle else None
219
+
202
220
  def installDeepLearningToolkit(plugin, env):
203
221
 
204
222
  preMsgs = []
205
223
  cudaMsgs = []
206
224
  nvidiaDriverVer = None
207
- useGpu = False
208
225
  if os.environ.get('CUDA', 'True') == 'True':
209
226
  try:
210
227
  nvidiaDriverVer = subprocess.Popen(["nvidia-smi",
@@ -221,7 +238,7 @@ def installDeepLearningToolkit(plugin, env):
221
238
  f"To enable CUDA (drivers>{NVIDIA_DRIVERS_MINIMUM_VERSION} needed), "
222
239
  "set CUDA=True in 'scipion.conf' file")
223
240
  nvidiaDriverVer = None
224
- except (ValueError, TypeError):
241
+ except (ValueError, TypeError, FileNotFoundError):
225
242
  nvidiaDriverVer = None
226
243
  preMsgs.append("Not nvidia driver found. Type: "
227
244
  " nvidia-smi --query-gpu=driver_version --format=csv,noheader")