xrayscatteringtools 0.2.0__tar.gz → 0.2.1__tar.gz

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Files changed (42) hide show
  1. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/PKG-INFO +1 -1
  2. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/pyproject.toml +1 -1
  3. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/__init__.py +1 -1
  4. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/.gitattributes +0 -0
  5. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/.gitignore +0 -0
  6. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/LICENSE +0 -0
  7. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/README.md +0 -0
  8. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/calib/__init__.py +0 -0
  9. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/calib/data/Zn_attenuation_length.h5 +0 -0
  10. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/calib/geometry_calibration.py +0 -0
  11. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/calib/scattering_corrections.py +0 -0
  12. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/data/Jungfrau.h5 +0 -0
  13. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/epicsArch.py +0 -0
  14. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/io.py +0 -0
  15. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/plotting.py +0 -0
  16. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/__init__.py +0 -0
  17. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/IAM/Compton_Factors.npy +0 -0
  18. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/IAM/Scattering_Factors.npy +0 -0
  19. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/geometries/SF6__CCSD_T_DHK__aug_cc_pV5Z_DK.h5 +0 -0
  20. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/geometries/make_geometry_h5.py +0 -0
  21. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/patterns/SF6__CCSD__aug_cc_pVDZ.h5 +0 -0
  22. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/patterns/SF6__HF__aug_cc_pVDZ.h5 +0 -0
  23. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/patterns/SF6__MP2__aug_cc_pVDZ.h5 +0 -0
  24. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/data/patterns/convert_ab_initio_to_h5.py +0 -0
  25. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/geometries.py +0 -0
  26. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/geometries.pyi +0 -0
  27. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/iam.py +0 -0
  28. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/patterns.py +0 -0
  29. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/theory/patterns.pyi +0 -0
  30. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/utils.py +0 -0
  31. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/DMP_D.xyz +0 -0
  32. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/DMP_L1.xyz +0 -0
  33. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/DMP_L2.xyz +0 -0
  34. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/DMP_ground.xyz +0 -0
  35. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/__init__.py +0 -0
  36. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/azav_test.ipynb +0 -0
  37. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/calib_test.ipynb +0 -0
  38. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/geometries_test.ipynb +0 -0
  39. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/iam_oriented_test.ipynb +0 -0
  40. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/iam_pattern_test.ipynb +0 -0
  41. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/patterns_test.ipynb +0 -0
  42. {xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/tests/sf6_test.xyz +0 -0
{xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: xrayscatteringtools
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- Version: 0.2.0
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+ Version: 0.2.1
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  Summary: A library for gas phase analysis at the CXI endstation
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  Project-URL: Homepage, https://github.com/Weber-Group/xrayscatteringtools
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  Project-URL: Issues, https://github.com/Weber-Group/xrayscatteringtools/issues
{xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/pyproject.toml RENAMED
@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
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  [project]
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  name = "xrayscatteringtools"
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- version = "0.2.0"
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+ version = "0.2.1"
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  description = "A library for gas phase analysis at the CXI endstation"
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  authors = [
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  { name = "David Romano", email = "david_j_romano@brown.edu" }
{xrayscatteringtools-0.2.0 → xrayscatteringtools-0.2.1}/src/xrayscatteringtools/__init__.py RENAMED
@@ -1,4 +1,4 @@
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- from .io import combineRuns, get_leaves, read_xyz, write_xyz, read_mol
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+ from .io import combineRuns, get_leaves, read_xyz, write_xyz, read_mol, get_data_paths
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  from .plotting import plot_jungfrau, compute_pixel_edges
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  from .utils import enable_underscore_cleanup, azimuthalBinning, au2invAngstroms, invAngstroms2au, keV2Angstroms, Angstroms2keV, q2theta, theta2q, element_number_to_symbol, element_symbol_to_number, translate_molecule, rotate_molecule, J4M
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  from . import theory