orGUI 1.2.0__tar.gz → 1.3.0__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.
Files changed (118) hide show
  1. {orgui-1.2.0 → orgui-1.3.0}/PKG-INFO +5 -5
  2. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/PKG-INFO +5 -5
  3. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/SOURCES.txt +13 -6
  4. {orgui-1.2.0 → orgui-1.3.0}/orgui/__init__.py +3 -3
  5. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/ArrayTableDialog.py +4 -4
  6. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/QHKLDialog.py +31 -0
  7. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/QReflectionSelector.py +7 -6
  8. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/QScanSelector.py +36 -4
  9. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/QUBCalculator.py +77 -6
  10. orgui-1.3.0/orgui/app/_roi_sum_accel.py +69 -0
  11. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/bgroi.py +31 -0
  12. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/database.py +82 -25
  13. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/orGUI.py +276 -105
  14. orgui-1.3.0/orgui/app/peak1Dintegr.py +2187 -0
  15. orgui-1.3.0/orgui/app/qutils.py +368 -0
  16. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/backends.py +13 -5
  17. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/beamline/__init__.py +4 -4
  18. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/beamline/fio_reader.py +4 -4
  19. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/beamline/id31_tools.py +5 -2
  20. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/scans.py +4 -4
  21. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/udefaults.py +4 -4
  22. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/universalScanLoader.py +11 -3
  23. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/util.py +4 -4
  24. orgui-1.3.0/orgui/datautils/xrayutils/CTRcalc.py +884 -0
  25. orgui-1.3.0/orgui/datautils/xrayutils/CTRfilm.py +903 -0
  26. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/CTRopt.py +34 -4
  27. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/CTRplotutil.py +4 -4
  28. orgui-1.2.0/orgui/datautils/xrayutils/CTRcalc.py → orgui-1.3.0/orgui/datautils/xrayutils/CTRuc.py +381 -1456
  29. orgui-1.3.0/orgui/datautils/xrayutils/CTRutil.py +530 -0
  30. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/DetectorCalibration.py +14 -10
  31. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/HKLVlieg.py +4 -4
  32. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/ReciprocalNavigation.py +4 -4
  33. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/__init__.py +4 -4
  34. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/test/test_DetectorCalibration.py +24 -0
  35. {orgui-1.2.0 → orgui-1.3.0}/orgui/main.py +2 -2
  36. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/__init__.py +12 -2
  37. orgui-1.3.0/orgui/resources/icons/anchor-ROI.png +0 -0
  38. orgui-1.3.0/orgui/resources/icons/anchor-ROI.svg +104 -0
  39. orgui-1.3.0/orgui/resources/icons/document-nx-new.png +0 -0
  40. orgui-1.3.0/orgui/resources/icons/document-nx-new.svg +178 -0
  41. orgui-1.3.0/orgui/resources/icons/incident_corrections.png +0 -0
  42. orgui-1.3.0/orgui/resources/icons/incident_corrections.svg +441 -0
  43. orgui-1.3.0/orgui/resources/icons/logo_v1.png +0 -0
  44. orgui-1.3.0/orgui/resources/icons/logo_v1.svg +197 -0
  45. {orgui-1.2.0 → orgui-1.3.0}/pyproject.toml +2 -3
  46. orgui-1.2.0/orgui/app/qutils.py +0 -51
  47. {orgui-1.2.0 → orgui-1.3.0}/LICENSE +0 -0
  48. {orgui-1.2.0 → orgui-1.3.0}/README.rst +0 -0
  49. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/dependency_links.txt +0 -0
  50. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/entry_points.txt +0 -0
  51. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/requires.txt +0 -0
  52. {orgui-1.2.0 → orgui-1.3.0}/orGUI.egg-info/top_level.txt +0 -0
  53. {orgui-1.2.0 → orgui-1.3.0}/orgui/app/__init__.py +0 -0
  54. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/__init__.py +0 -0
  55. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/beamline/ID31DiffractLinTilt.py +0 -0
  56. {orgui-1.2.0 → orgui-1.3.0}/orgui/backend/beamline/P212_tools.py +0 -0
  57. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/__init__.py +0 -0
  58. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/_CTRcalc_accel.py +0 -0
  59. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/element_data.py +0 -0
  60. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/test/__init__.py +0 -0
  61. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/test/test_CTRcalc.py +0 -0
  62. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/test/test_HKLcalc.py +0 -0
  63. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Fe3O4(100).bul +0 -0
  64. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt100.bul +0 -0
  65. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt100_small.bul +0 -0
  66. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt110.bul +0 -0
  67. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt111.bul +0 -0
  68. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt310.bul +0 -0
  69. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/Pt3O4(100).bul +0 -0
  70. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/PtO(001).bul +0 -0
  71. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/PtO(010).bul +0 -0
  72. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/PtO(100).bul +0 -0
  73. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/__init__.py +0 -0
  74. {orgui-1.2.0 → orgui-1.3.0}/orgui/datautils/xrayutils/unitcells/a-PtO2(0001).bul +0 -0
  75. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/alpha.png +0 -0
  76. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/alpha.svg +0 -0
  77. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/diffractometer_v3.png +0 -0
  78. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/disable-image.png +0 -0
  79. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/disable-image.svg +0 -0
  80. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/document-nx-open.png +0 -0
  81. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/document-nx-open.svg +0 -0
  82. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/document-nx-save.png +0 -0
  83. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/document-nx-save.svg +0 -0
  84. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/intersect_s1.png +0 -0
  85. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/intersect_s1.svg +0 -0
  86. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/intersect_s2.png +0 -0
  87. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/intersect_s2.svg +0 -0
  88. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-all-link.png +0 -0
  89. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-all-link.svg +0 -0
  90. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-horizontal-link.png +0 -0
  91. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-horizontal-link.svg +0 -0
  92. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-no-link.png +0 -0
  93. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-no-link.svg +0 -0
  94. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-view.png +0 -0
  95. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/lattice-view.svg +0 -0
  96. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/logo.png +0 -0
  97. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/logo.svg +0 -0
  98. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/max_image.png +0 -0
  99. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/max_image.svg +0 -0
  100. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/max_image2.png +0 -0
  101. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/max_image2.svg +0 -0
  102. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/orguiicon.png +0 -0
  103. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/orguiicon.svg +0 -0
  104. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search-image.png +0 -0
  105. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search-image.svg +0 -0
  106. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search-reflection.png +0 -0
  107. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search-reflection.svg +0 -0
  108. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search.png +0 -0
  109. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/search.svg +0 -0
  110. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/select-image.png +0 -0
  111. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/select-image.svg +0 -0
  112. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/set-reflection.png +0 -0
  113. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/set-reflection.svg +0 -0
  114. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/sum_image.png +0 -0
  115. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/sum_image.svg +0 -0
  116. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/sum_image2.png +0 -0
  117. {orgui-1.2.0 → orgui-1.3.0}/orgui/resources/icons/sum_image2.svg +0 -0
  118. {orgui-1.2.0 → orgui-1.3.0}/setup.cfg +0 -0
@@ -1,16 +1,15 @@
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- Metadata-Version: 2.1
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+ Metadata-Version: 2.4
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  Name: orGUI
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- Version: 1.2.0
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+ Version: 1.3.0
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  Summary: orGUI: Orientation and Integration with 2D detectors
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  Author-email: Timo Fuchs <tfuchs@cornell.edu>
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- License: MIT License
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+ License-Expression: MIT
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  Classifier: Development Status :: 5 - Production/Stable
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  Classifier: Environment :: Win32 (MS Windows)
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  Classifier: Environment :: X11 Applications :: Qt
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  Classifier: Intended Audience :: End Users/Desktop
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  Classifier: Intended Audience :: Developers
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  Classifier: Intended Audience :: Science/Research
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- Classifier: License :: OSI Approved :: MIT License
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  Classifier: Operating System :: MacOS :: MacOS X
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  Classifier: Operating System :: Microsoft :: Windows
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  Classifier: Operating System :: POSIX
@@ -21,7 +20,7 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: Topic :: Scientific/Engineering :: Visualization
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  Classifier: Topic :: Software Development :: Libraries :: Python Modules
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- Requires-Python: >=3.7
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+ Requires-Python: >=3.8
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  Description-Content-Type: text/x-rst
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  License-File: LICENSE
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  Requires-Dist: numpy>=1.12
@@ -44,6 +43,7 @@ Requires-Dist: qtconsole; extra == "full"
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  Requires-Dist: ase; extra == "full"
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  Requires-Dist: numba; extra == "full"
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  Requires-Dist: PyOpenGL; extra == "full"
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+ Dynamic: license-file
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  orGUI: Orientation and Integration with 2D detectors
@@ -1,16 +1,15 @@
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- Metadata-Version: 2.1
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+ Metadata-Version: 2.4
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  Name: orGUI
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- Version: 1.2.0
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+ Version: 1.3.0
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  Summary: orGUI: Orientation and Integration with 2D detectors
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  Author-email: Timo Fuchs <tfuchs@cornell.edu>
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- License: MIT License
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+ License-Expression: MIT
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  Classifier: Development Status :: 5 - Production/Stable
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  Classifier: Environment :: Win32 (MS Windows)
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  Classifier: Environment :: X11 Applications :: Qt
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  Classifier: Intended Audience :: End Users/Desktop
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  Classifier: Intended Audience :: Developers
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  Classifier: Intended Audience :: Science/Research
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- Classifier: License :: OSI Approved :: MIT License
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  Classifier: Operating System :: MacOS :: MacOS X
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  Classifier: Operating System :: Microsoft :: Windows
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  Classifier: Operating System :: POSIX
@@ -21,7 +20,7 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: Topic :: Scientific/Engineering :: Visualization
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  Classifier: Topic :: Software Development :: Libraries :: Python Modules
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- Requires-Python: >=3.7
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+ Requires-Python: >=3.8
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  Description-Content-Type: text/x-rst
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  License-File: LICENSE
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  Requires-Dist: numpy>=1.12
@@ -44,6 +43,7 @@ Requires-Dist: qtconsole; extra == "full"
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  Requires-Dist: ase; extra == "full"
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  Requires-Dist: numba; extra == "full"
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  Requires-Dist: PyOpenGL; extra == "full"
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+ Dynamic: license-file
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  orGUI: Orientation and Integration with 2D detectors
@@ -9,21 +9,17 @@ orGUI.egg-info/requires.txt
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  orGUI.egg-info/top_level.txt
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  orgui/__init__.py
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  orgui/main.py
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- orgui.egg-info/PKG-INFO
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- orgui.egg-info/SOURCES.txt
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- orgui.egg-info/dependency_links.txt
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- orgui.egg-info/entry_points.txt
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- orgui.egg-info/requires.txt
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- orgui.egg-info/top_level.txt
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  orgui/app/ArrayTableDialog.py
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  orgui/app/QHKLDialog.py
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  orgui/app/QReflectionSelector.py
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  orgui/app/QScanSelector.py
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  orgui/app/QUBCalculator.py
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  orgui/app/__init__.py
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+ orgui/app/_roi_sum_accel.py
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  orgui/app/bgroi.py
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  orgui/app/database.py
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  orgui/app/orGUI.py
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+ orgui/app/peak1Dintegr.py
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  orgui/app/qutils.py
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  orgui/backend/__init__.py
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  orgui/backend/backends.py
@@ -38,8 +34,11 @@ orgui/backend/beamline/id31_tools.py
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  orgui/datautils/__init__.py
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  orgui/datautils/util.py
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  orgui/datautils/xrayutils/CTRcalc.py
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+ orgui/datautils/xrayutils/CTRfilm.py
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  orgui/datautils/xrayutils/CTRopt.py
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  orgui/datautils/xrayutils/CTRplotutil.py
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+ orgui/datautils/xrayutils/CTRuc.py
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+ orgui/datautils/xrayutils/CTRutil.py
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  orgui/datautils/xrayutils/DetectorCalibration.py
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  orgui/datautils/xrayutils/HKLVlieg.py
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  orgui/datautils/xrayutils/ReciprocalNavigation.py
@@ -65,13 +64,19 @@ orgui/datautils/xrayutils/unitcells/a-PtO2(0001).bul
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  orgui/resources/__init__.py
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  orgui/resources/icons/alpha.png
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  orgui/resources/icons/alpha.svg
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+ orgui/resources/icons/anchor-ROI.png
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+ orgui/resources/icons/anchor-ROI.svg
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  orgui/resources/icons/diffractometer_v3.png
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  orgui/resources/icons/disable-image.png
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  orgui/resources/icons/disable-image.svg
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+ orgui/resources/icons/document-nx-new.png
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+ orgui/resources/icons/document-nx-new.svg
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  orgui/resources/icons/document-nx-save.png
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+ orgui/resources/icons/incident_corrections.png
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+ orgui/resources/icons/incident_corrections.svg
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@@ -86,6 +91,8 @@ orgui/resources/icons/lattice-view.png
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+ orgui/resources/icons/logo_v1.png
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+ orgui/resources/icons/logo_v1.svg
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@@ -1,7 +1,7 @@
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  # -*- coding: utf-8 -*-
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  # /*##########################################################################
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  #
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- # Copyright (c) 2020-2024 Timo Fuchs
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+ # Copyright (c) 2020-2025 Timo Fuchs
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  #
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  # Permission is hereby granted, free of charge, to any person obtaining a copy
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  """
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  __author__ = "Timo Fuchs"
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- __copyright__ = "Copyright 2020-2024 Timo Fuchs"
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+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
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  __credits__ = []
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  __license__ = "MIT License"
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- __version__ = "1.2.0"
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+ __version__ = "1.3.0"
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  __maintainer__ = "Timo Fuchs"
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  __email__ = "tfuchs@cornell.edu"
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  # -*- coding: utf-8 -*-
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  # /*##########################################################################
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  #
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- # Copyright (c) 2020-2024 Timo Fuchs
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+ # Copyright (c) 2020-2025 Timo Fuchs
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  #
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  # Permission is hereby granted, free of charge, to any person obtaining a copy
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  #
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  # ###########################################################################*/
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  __author__ = "Timo Fuchs"
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- __copyright__ = "Copyright 2020-2024 Timo Fuchs"
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+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
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  __license__ = "MIT License"
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- __version__ = "1.0.0"
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+ __version__ = "1.3.0"
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  __maintainer__ = "Timo Fuchs"
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- __email__ = "fuchs@physik.uni-kiel.de"
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+ __email__ = "tfuchs@cornell.edu"
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  import numpy as np
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  import os
@@ -1,3 +1,34 @@
1
+ # -*- coding: utf-8 -*-
2
+ # /*##########################################################################
3
+ #
4
+ # Copyright (c) 2020-2025 Timo Fuchs
5
+ #
6
+ # Permission is hereby granted, free of charge, to any person obtaining a copy
7
+ # of this software and associated documentation files (the "Software"), to deal
8
+ # in the Software without restriction, including without limitation the rights
9
+ # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
10
+ # copies of the Software, and to permit persons to whom the Software is
11
+ # furnished to do so, subject to the following conditions:
12
+ #
13
+ # The above copyright notice and this permission notice shall be included in
14
+ # all copies or substantial portions of the Software.
15
+ #
16
+ # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
17
+ # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
18
+ # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
19
+ # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
20
+ # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
21
+ # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
22
+ # THE SOFTWARE.
23
+ #
24
+ # ###########################################################################*/
25
+ __author__ = "Timo Fuchs"
26
+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
27
+ __license__ = "MIT License"
28
+ __version__ = "1.3.0"
29
+ __maintainer__ = "Timo Fuchs"
30
+ __email__ = "tfuchs@cornell.edu"
31
+
1
32
  from silx.gui import qt
2
33
  from . import qutils
3
34
  import numpy as np
@@ -1,7 +1,7 @@
1
1
  # -*- coding: utf-8 -*-
2
2
  # /*##########################################################################
3
3
  #
4
- # Copyright (c) 2020-2024 Timo Fuchs
4
+ # Copyright (c) 2020-2025 Timo Fuchs
5
5
  #
6
6
  # Permission is hereby granted, free of charge, to any person obtaining a copy
7
7
  # of this software and associated documentation files (the "Software"), to deal
@@ -23,11 +23,11 @@
23
23
  #
24
24
  # ###########################################################################*/
25
25
  __author__ = "Timo Fuchs"
26
- __copyright__ = "Copyright 2020-2024 Timo Fuchs"
26
+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
27
27
  __license__ = "MIT License"
28
- __version__ = "1.0.0"
28
+ __version__ = "1.3.0"
29
29
  __maintainer__ = "Timo Fuchs"
30
- __email__ = "fuchs@physik.uni-kiel.de"
30
+ __email__ = "tfuchs@cornell.edu"
31
31
 
32
32
  import sys
33
33
  import traceback
@@ -38,6 +38,7 @@ from .ArrayTableDialog import ArrayEditWidget
38
38
  from collections import OrderedDict
39
39
  from dataclasses import dataclass, field
40
40
  from typing import ClassVar
41
+ import copy
41
42
 
42
43
  import numpy as np
43
44
  from ..datautils.xrayutils import HKLVlieg
@@ -305,7 +306,7 @@ class QReflectionSelector(qt.QSplitter):
305
306
  else:
306
307
  self.setReflections([])
307
308
  except Exception:
308
- qt.QMessageBox.critical(self,"Cannot read reflections", "Cannot read reeflections %s" % traceback.format_exc())
309
+ qt.QMessageBox.critical(self,"Cannot read reflections", "Cannot read reflections %s" % traceback.format_exc())
309
310
  return
310
311
 
311
312
  def clearPlotRefReflections(self):
@@ -326,7 +327,7 @@ class QReflectionSelector(qt.QSplitter):
326
327
 
327
328
 
328
329
  def redrawRefReflections(self):
329
- self.setReflections(self.reflections)
330
+ self.setReflections(copy.deepcopy(self.reflections))
330
331
 
331
332
  def setReflections(self,refls):
332
333
  self.clearPlotRefReflections()
@@ -1,7 +1,7 @@
1
1
  # -*- coding: utf-8 -*-
2
2
  # /*##########################################################################
3
3
  #
4
- # Copyright (c) 2020-2024 Timo Fuchs, Finn Schroeter
4
+ # Copyright (c) 2020-2025 Timo Fuchs
5
5
  #
6
6
  # Permission is hereby granted, free of charge, to any person obtaining a copy
7
7
  # of this software and associated documentation files (the "Software"), to deal
@@ -23,11 +23,11 @@
23
23
  #
24
24
  # ###########################################################################*/
25
25
  __author__ = "Timo Fuchs"
26
- __copyright__ = "Copyright 2020-2024 Timo Fuchs, Finn Schroeter"
26
+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
27
27
  __license__ = "MIT License"
28
- __version__ = "1.2.0"
28
+ __version__ = "1.3.0"
29
29
  __maintainer__ = "Timo Fuchs"
30
- __email__ = "fuchs@physik.uni-kiel.de"
30
+ __email__ = "tfuchs@cornell.edu"
31
31
 
32
32
 
33
33
  import sys
@@ -685,10 +685,42 @@ class QScanSelector(qt.QMainWindow):
685
685
  qt.QMessageBox.Ok, self)
686
686
  clickedbutton = msgbox.exec()
687
687
  return
688
+
689
+ # initialize dict to return scan information
688
690
  ddict = dict()
689
691
  ddict['event'] = "loadScan"
692
+
693
+ # must contain scan filepath
690
694
  ddict['file'] = self.pathedit.text()
695
+
696
+ # additional information
691
697
  ddict['scanno'] = self.scannoBox.value()
698
+ ddict['name'] = os.path.splitext(os.path.basename(self.pathedit.text()))[0] + '.' + str(self.scannoBox.value())
699
+ ddict['beamtime'] = self.btid.currentText()
700
+
701
+ # fill dict with information from active h5 node - if it matches loaded scan
702
+ nodes = list(self.hdfTreeView.selectedH5Nodes())
703
+ if not nodes == []:
704
+ obj = nodes[0]
705
+
706
+ if obj.local_filename == self.pathedit.text() and obj.basename[0] == self.scannoBox.value():
707
+ ddict['node'] = obj
708
+
709
+ # beamtime auto detect
710
+ dt = dateparser.parse(obj.h5py_target['start_time'][()])
711
+ btid = backends.getBeamtimeId(dt)
712
+ ddict['beamtime'] = btid
713
+
714
+ # set detected beamtime in GUI
715
+ if btid in [self.btid.itemText(i) for i in range(self.btid.count())]:
716
+ self.btid.setCurrentIndex(self.btid.findText(btid))
717
+
718
+ # update name to match scheme from _onNEXUSDoubleClicked function
719
+ ddict2 = backends.fscans[btid].parse_h5_node(obj)
720
+ ddict['name'] = ddict2['name']
721
+ else:
722
+ print('active node does not match selected file')
723
+
692
724
  self.sigScanChanged.emit(ddict)
693
725
 
694
726
  def _onLoadBackend(self):
@@ -1,7 +1,7 @@
1
1
  # -*- coding: utf-8 -*-
2
2
  # /*##########################################################################
3
3
  #
4
- # Copyright (c) 2020-2024 Timo Fuchs
4
+ # Copyright (c) 2020-2025 Timo Fuchs
5
5
  #
6
6
  # Permission is hereby granted, free of charge, to any person obtaining a copy
7
7
  # of this software and associated documentation files (the "Software"), to deal
@@ -23,11 +23,11 @@
23
23
  #
24
24
  # ###########################################################################*/
25
25
  __author__ = "Timo Fuchs"
26
- __copyright__ = "Copyright 2020-2024 Timo Fuchs"
26
+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
27
27
  __license__ = "MIT License"
28
- __version__ = "1.0.1"
28
+ __version__ = "1.3.0"
29
29
  __maintainer__ = "Timo Fuchs"
30
- __email__ = "fuchs@physik.uni-kiel.de"
30
+ __email__ = "tfuchs@cornell.edu"
31
31
 
32
32
  from io import StringIO
33
33
  from silx.gui import qt
@@ -241,7 +241,18 @@ class QUBCalculator(qt.QSplitter):
241
241
  if self.mainGui.fscan is not None:
242
242
  if axisname is None:
243
243
  axisname = self.mainGui.fscan.axisname
244
- mu_cryst = HKLVlieg.crystalAngles_singleArray(self.mu,self.n)
244
+ mu, om = self.mainGui.getMuOm()
245
+ else:
246
+ mu = self.mu; om = 0.0
247
+ angle_factors = np.unique((om+np.pi) // (2*np.pi)) # possible angle offset factors
248
+ angle_factors = np.sort(angle_factors)[::-1] # prefer solutions close to offset factor of 0, first positive elements
249
+ srt = np.argsort(np.abs(angle_factors))
250
+ angle_factors = angle_factors[srt] # prefer solutions close to offset factor of 0
251
+
252
+ ommax = np.amax(om)
253
+ ommin = np.amin(om)
254
+
255
+ mu_cryst = HKLVlieg.crystalAngles_singleArray(mu,self.n)
245
256
  hkl = np.asarray(hkl)
246
257
  if len(hkl.shape) > 1:
247
258
  hkl = hkl.T # for anglesZmode, is a bit inconsistent
@@ -253,18 +264,78 @@ class QUBCalculator(qt.QSplitter):
253
264
  pos1 = self.angles.anglesZmode(hkl,mu_cryst,'eq',self.chi,self.phi,mirrorx=False)
254
265
  pos2 = self.angles.anglesZmode(hkl,mu_cryst,'eq',self.chi,self.phi,mirrorx=True)
255
266
  else:
256
- raise Exception("No scan axis given or no scan loaded.")
267
+ raise ValueError("No scan axis given or no scan loaded.")
257
268
 
258
269
  pos1_refr = HKLVlieg.vacAngles(pos1,self.n)
259
270
  pos2_refr = HKLVlieg.vacAngles(pos2,self.n)
260
271
 
272
+ def _adjust_omega_array(omega, ommin, ommax, angle_factors):
273
+ """ Original function, numpy parralelized with AI:
274
+ It finds a 'best guess' for the om range used by the experiment
275
+ The order of the tested angle_factors determines the priority.
276
+ I.e. it should usually start (highest priority) with zero and increase.
277
+
278
+ minfactor = 0
279
+ metric = np.inf
280
+ for factor in angle_factors:
281
+ if ommin <= omega1 + factor*np.pi <= ommax:
282
+ omega1 = omega1 + factor*np.pi
283
+ break
284
+ else:
285
+ fmetric = min( abs(omega1 + factor*np.pi - ommin) , abs(omega1 + factor*np.pi - ommax))
286
+ if fmetric < metric:
287
+ minfactor = factor
288
+ metric = fmetric
289
+ else:
290
+ omega1 = omega1 + minfactor*np.pi
291
+ """
292
+ omega = np.atleast_1d(omega)
293
+ angle_factors = np.atleast_1d(angle_factors)
294
+
295
+
296
+ # Compute all candidate shifts: shape = (N, M)
297
+ # N = len(omega), M = len(angle_factors)
298
+ candidates = omega[:, None] + angle_factors[None, :] * 2 *np.pi
299
+
300
+ # Determine which candidates lie within [ommin, ommax]
301
+ inside = (candidates >= ommin) & (candidates <= ommax)
302
+
303
+ # For each ω₁, find the first factor that yields an “inside” result
304
+ first_inside_idx = np.argmax(inside, axis=1)
305
+ has_inside = inside.any(axis=1)
306
+
307
+ # Compute distance to the nearest bound for all candidates
308
+ dist_to_min = np.abs(candidates - ommin)
309
+ dist_to_max = np.abs(candidates - ommax)
310
+ nearest_dist = np.minimum(dist_to_min, dist_to_max)
311
+
312
+ # For those with no “inside” candidate, pick the factor with minimal distance
313
+ closest_idx = np.argmin(nearest_dist, axis=1)
314
+
315
+ # Choose per-row index: first_inside_idx if in‐range exists, else closest_idx
316
+ choice_idx = np.where(has_inside, first_inside_idx, closest_idx)
317
+
318
+ # Extract the adjusted ω₁ values
319
+ adjusted = candidates[np.arange(omega.shape[0]), choice_idx]
320
+ return adjusted
321
+
261
322
  if len(hkl.shape) > 1:
262
323
  alpha1, delta1, gamma1, omega1, chi1, phi1 = pos1_refr.T
263
324
  alpha2, delta2, gamma2, omega2, chi2, phi2 = pos2_refr.T
264
325
  hkl = hkl.T
326
+ omega1 = _adjust_omega_array(omega1, ommin, ommax, angle_factors)
327
+ omega2 = _adjust_omega_array(omega2, ommin, ommax, angle_factors)
328
+ pos1_refr.T[3] = omega1
329
+ pos2_refr.T[3] = omega2
330
+
265
331
  else:
266
332
  alpha1, delta1, gamma1, omega1, chi1, phi1 = pos1_refr
267
333
  alpha2, delta2, gamma2, omega2, chi2, phi2 = pos2_refr
334
+ omega1 = float(np.squeeze(_adjust_omega_array(omega1, ommin, ommax, angle_factors)))
335
+ omega2 = float(np.squeeze(_adjust_omega_array(omega2, ommin, ommax, angle_factors)))
336
+ pos1_refr[3] = omega1
337
+ pos2_refr[3] = omega2
338
+
268
339
 
269
340
  xy1 = self.detectorCal.pixelsSurfaceAngles(gamma1,delta1,alpha1)[:,::-1]
270
341
  xy2 = self.detectorCal.pixelsSurfaceAngles(gamma2,delta2,alpha2)[:,::-1]
@@ -0,0 +1,69 @@
1
+ # -*- coding: utf-8 -*-
2
+ # /*##########################################################################
3
+ #
4
+ # Copyright (c) 2020-2024 Timo Fuchs
5
+ #
6
+ # Permission is hereby granted, free of charge, to any person obtaining a copy
7
+ # of this software and associated documentation files (the "Software"), to deal
8
+ # in the Software without restriction, including without limitation the rights
9
+ # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
10
+ # copies of the Software, and to permit persons to whom the Software is
11
+ # furnished to do so, subject to the following conditions:
12
+ #
13
+ # The above copyright notice and this permission notice shall be included in
14
+ # all copies or substantial portions of the Software.
15
+ #
16
+ # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
17
+ # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
18
+ # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
19
+ # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
20
+ # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
21
+ # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
22
+ # THE SOFTWARE.
23
+ #
24
+ # ###########################################################################*/
25
+ __author__ = "Timo Fuchs"
26
+ __copyright__ = "Copyright 2020-2025 Timo Fuchs"
27
+ __license__ = "MIT License"
28
+ __version__ = "1.3.0"
29
+ __maintainer__ = "Timo Fuchs"
30
+ __email__ = "tfuchs@cornell.edu"
31
+
32
+
33
+ from numba import njit, config
34
+
35
+ import numpy as np
36
+
37
+ config.THREADING_LAYER = 'threadsafe'
38
+
39
+ @njit('f8[:,::1](f8[:,::1], b1[:, ::1], f8[:,::1], i8[:,:, ::1], i8[:,:, ::1], i8[:,:, ::1], i8[:,:, ::1], i8[:,:, ::1], f8[:,::1])', nogil=True, cache=True)
40
+ def processImage(image, mask, C_corr, croi, leftroi, rightroi, toproi, bottomroi, all_counters):
41
+
42
+ for i in range(image.shape[0]): # this is faster than image[mask] = np.nan for some reason
43
+ for j in range(image.shape[1]):
44
+ if mask[i, j]:
45
+ image[i, j] = np.nan
46
+ else:
47
+ image[i, j] *= C_corr[i, j]
48
+
49
+ invmask = np.logical_not(mask)
50
+
51
+ for i in range(croi.shape[0]):
52
+ ckey = croi[i]
53
+ leftkey = leftroi[i]
54
+ rightkey = rightroi[i]
55
+ topkey = toproi[i]
56
+ bottomkey = bottomroi[i]
57
+
58
+ # signal
59
+ all_counters[i,0] = np.nansum(image[ckey[1, 0]: ckey[1, 1] , ckey[0, 0]: ckey[0, 1]])
60
+ all_counters[i,1] = np.sum(invmask[ckey[1, 0]: ckey[1, 1], ckey[0, 0]: ckey[0, 1]])
61
+
62
+ # background
63
+ all_counters[i,2] = 0.
64
+ all_counters[i,3] = 0.
65
+ for key in [leftkey, rightkey, topkey, bottomkey]:
66
+ all_counters[i, 2] += np.nansum(image[key[1, 0]:key[1, 1], key[0, 0]:key[0, 1]])
67
+ all_counters[i, 3] += np.sum(invmask[key[1, 0]:key[1, 1], key[0, 0]:key[0, 1]])
68
+
69
+ return all_counters
@@ -1,3 +1,34 @@
1
+ # -*- coding: utf-8 -*-
2
+ # /*##########################################################################
3
+ #
4
+ # Copyright (c) 2025 Timo Fuchs
5
+ #
6
+ # Permission is hereby granted, free of charge, to any person obtaining a copy
7
+ # of this software and associated documentation files (the "Software"), to deal
8
+ # in the Software without restriction, including without limitation the rights
9
+ # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
10
+ # copies of the Software, and to permit persons to whom the Software is
11
+ # furnished to do so, subject to the following conditions:
12
+ #
13
+ # The above copyright notice and this permission notice shall be included in
14
+ # all copies or substantial portions of the Software.
15
+ #
16
+ # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
17
+ # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
18
+ # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
19
+ # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
20
+ # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
21
+ # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
22
+ # THE SOFTWARE.
23
+ #
24
+ # ###########################################################################*/
25
+ __author__ = "Timo Fuchs"
26
+ __copyright__ = "Copyright 2025 Timo Fuchs"
27
+ __license__ = "MIT License"
28
+ __version__ = "1.3.0"
29
+ __maintainer__ = "Timo Fuchs"
30
+ __email__ = "tfuchs@cornell.edu"
31
+
1
32
  import logging
2
33
  import numpy
3
34