Metadata-Version: 2.4
Name: xrayscatteringtools
Version: 0.2.0
Summary: A library for gas phase analysis at the CXI endstation
Project-URL: Homepage, https://github.com/Weber-Group/xrayscatteringtools
Project-URL: Issues, https://github.com/Weber-Group/xrayscatteringtools/issues
Author-email: David Romano <david_j_romano@brown.edu>
License-Expression: MIT
License-File: LICENSE
Requires-Python: >=3.9
Requires-Dist: h5py
Requires-Dist: ipython
Requires-Dist: matplotlib
Requires-Dist: numpy<2
Requires-Dist: pathlib
Requires-Dist: pyyaml
Requires-Dist: requests
Requires-Dist: scipy>=1.11
Requires-Dist: tqdm
Requires-Dist: xraylib
Provides-Extra: dev
Requires-Dist: black>=24.0; extra == 'dev'
Requires-Dist: mypy>=1.9; extra == 'dev'
Requires-Dist: pytest>=8.0; extra == 'dev'
Requires-Dist: ruff>=0.3; extra == 'dev'
Description-Content-Type: text/markdown

# xrayscatteringtools

## A python library for the analysis of data from the CXI endstation at the LCLS. 

### `calib` submodule pertains to the geometry calibration routine

### `theory` submodule pertains to stored ab initio patterns, iam, or geometries.
### `utils` has a bunch of useful functions in it
### `xrayscatteringtools.io` has anything pertaning to loading or writing data (`combineRuns` is in here)
### `plotting` has anything to do with plotting.

### List of all methods:
All methods should have full docstrings in the NumPy docstring standard.
* calib
  * geometry_calibration
    - run_geometry_calibration()
    - model()
    - thompson_correction()
    - geometry_correction()
    - geometry_correction_units()
  * scattering_corrections
    - correction_factor()
    - Si_correction()
    - KaptonHN_correction()
    - Al_correction()
    - Be_correction()
    - cell_correction()
    - Si_attenuation_length()
    - Al_attenuation_length()
    - Be_attenuation_length()
    - KaptonHN_attenuation_length()
    - Zn_attenuation_length()
    - J4M_efficiency()
* theory
  * iam
    - iam_elastic_pattern()
    - iam_inelastic_pattern()
    - iam_total_pattern()
    - iam_compton_spectrum()
    - iam_elastic_pattern_oriented()
    - iam_inelastic_pattern_oriented()
    - iam_total_pattern_oriented()
  * patterns
    - SF6__CCSD__aug_cc_pVDZ
    - SF6__HF__aug_cc_pVDZ
    - SF6__MP2__aug_cc_pVDZ
  * geometries
    - SF6__CCSD_T_DHK__aug_cc_pV5Z_DK 
* io
  - combineRuns()
  - get_tree()
  - is_leaf()
  - get_leaves()
  - get_data_paths()
  - runNumToString()
  - read_xyz()
  - write_xyz()
  - read_mol()
* plotting
  - plot_jungfrau()
  - compute_pixel_edges()
* utils
  - enable_underscore_cleanup()
  - azimuthalBinning()
  - au2invAngstroms()
  - invAngstroms2au()
  - keV2Angstroms()
  - Angstroms2keV()
  - q2theta()
  - theta2q()
  - element_symbol_to_number()
  - element_number_to_symbol()
  - translate_molecule()
  - rotate_molecule()
  - J4M()
  - 
