.. _changelog: ========= CHANGELOG ========= .. version list .. _changelog-v1.0.0: v1.0.0 (2026-03-17) =================== Bug Fixes --------- * **asf_database**: Adjust filepaths and data loading for asf database (`81b0925`_) * **asf_database**: Reduce database size and document code (`6527361`_) * **asf_viewer.py**: Added cases for NEXAFS type checking, and continue conditions to avoid UI crashes (`16f5c55`_) * **asf_viewer.py**: Added data treatment for ``refractive`` KK_Datatype option in the GUI, instead of crashing (`4afbd99`_) * **asp_complex**: Ensured common kwargs propogated into asf conversions (`45dc1f0`_) * **common.py**: Make density information more robust to modify (`0366931`_) * **common.py**: Modify propogation and setting of internal variables (`8f71b98`_) * **db_models.asp_db_complex**: Added an override for the asp_complex copy method, to copy the energies and coefficients to generate a new object instead of copying asp_im and asp_re components. This conforms to the asp_db_complex constructor for copying (`2f25c45`_) * **db_models.py**: Add and fix scaling to db classes (`f73128f`_) * **db_models.py**: Changed ``asp_db_extended`` constructor so that copy method is compatible withchecking of ``merge_domain`` (`045ac2d`_) * **db_models.py**: Documentation and implementation changes (`38fd657`_) * **db_models.py**: Fix copy for asf_db_extended (`6d2eacd`_) * **db_models.py**: Fixed required kwargs bug for initialising energies & coefs for a polynomial class (`bb70685`_) * **gui**: GUI updates and pyproject changes to numpydoc file checking (`7f10a53`_) * **kkcalc/models/**: Changed models to properly reflect refractive naming convention for dispersion ($\delta$) and absorption ($\beta$) (`d3c819c`_) * **models**: Fixed the order of a few error messages. Also some invalid constructor calling (`023b578`_) * **models/__init__.py**: Add ``asp_db_abstract`` class to **all** map (`9990171`_) * **polynomials.py**: Added fix to creating factors from a complex polynomial that had different coefficient lengths (`4242790`_) * **polynomials.py**: Fixed bug in ``asp`` methods where properties_dict wasn't propogating to new class (`5949ddc`_) * **polynomials.py**: Remove target_energies bug (`b8dbad5`_) * **polynomials.py**: Updated **repr** and **str** methods to better reflect debugging and naming object information, respectively (`b81d46c`_) * **polynomials.py,-factors.py**: Propogate ``atomic_scattering`` properties (`fd81bcb`_) * **pyinst.yml**: Modify wkflw to gen and upld exe (`06ad149`_) * **stoich.py**: Added support for formula objects and dictionary objects to construct stiochiometry (`b8cb7d6`_) * **stoich.py**: Dependency on ``periodictable`` updated **iter** method, no longer provides neutron mass as first element (`f2fc6af`_) * **stoich.py**: Fixed inclusion of neutron element to ELEMENT table (`bd4b05a`_) * **stoichiometry**: Corrected fractional addition and added additional methods between stochiometry objects (`a5078be`_) * **util.py**: Let doc_copy work with @property decorators (`49110da`_) Build System ------------ * **deps**: Update numpy requirement from ~=2.3.4 to ~=2.4.0 (`5fcb699`_) * **deps**: Update scipy requirement from ~=1.16.2 to ~=1.17.1 (`3647a79`_) Documentation ------------- * **CHANGELOG.rst**: Reset listed versions (`25c94e6`_) * **conf.py**: Switch to using pydata-sphinx-theme (`2d7ec44`_) * **conf.py,-pyproject.toml**: Add new configuration for sphinx build (`6495ddb`_) * **docs**: Remove old doc files (`f741969`_) * **example_functions.ipynb**: Added example functions for kk transform, will be worked into tests later (`16db890`_) * **examples,-kkcalc**: Add missing docstrings (`229e8d9`_) * **factors.py,-conversions.py**: Modified the NEXAFS labels to directly reference the photo absorption cross section (`211c25a`_) * **kk_transforms.py**: Added doc changes, and a single extra warning for improve_accuracy functionality (`a4f568f`_) * **README.md**: Added badge for successful/failing workflow usage (`c582fe1`_) * **README.md**: Added shield.io CI mapping, and badges for numpydoc and black (`44b4d33`_) * **README.md**: Updated docs to use dependency groups, moved gui doc image to static folder (`ba7ccb5`_) * **README.rst**: Fix formatting (`4284c1a`_) * **README.rst**: Fix invalid rst for PyPI (`ffa1f6e`_) * **README.rst**: Update pre-commit badge to v2 branch (`1f27d82`_) * **stoich.py**: Re-added GL08 comment for stoich constructor, until numpydoc is updated (`34b23e8`_) * **stoich.py**: Signature changes for the PROPERTIES_DICT TypedDict, documentation changes and alias changes (`185dd63`_) Features -------- * **__main__.py**: Added a main entry point for GUI when using python load module (i.e. python -m kkcalc) (`5401d52`_) * **docs**: Sphinx docs infrastructure (`bdfe806`_) * **factors.py**: Added NEXAFS property and methods for asf_complex class (`c6ab85a`_) * **kkcalc\models\***: Added new methods for converting and evaluating refractive compnents / indexes (`8cb4958`_) * **polynomials.py**: Added critical angle method to asp_complex (`2879adb`_) * **polynomials.py**: Calculation of the attenuation length / penetration depth from the absorption coefficients (`e5a0a72`_) .. _023b578: https://github.com/xraysoftmat/kkcalc/commit/023b5783595ea1ad1f056e74272eebd48bb63f85 .. _0366931: https://github.com/xraysoftmat/kkcalc/commit/03669316ab923b79412a93a9aa026933e194b492 .. _045ac2d: https://github.com/xraysoftmat/kkcalc/commit/045ac2dafa3e7404496a175af99fbaee49ea3c2e .. _06ad149: https://github.com/xraysoftmat/kkcalc/commit/06ad14936c618841ca77053544e0386a1c3bd769 .. _16db890: https://github.com/xraysoftmat/kkcalc/commit/16db8906ad9d5ef97e82b09bd9571a5cafe028d0 .. _16f5c55: 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https://github.com/xraysoftmat/kkcalc/commit/d3c819c7ee1ba0324498993215222d463720ef5a .. _e5a0a72: https://github.com/xraysoftmat/kkcalc/commit/e5a0a72a793eb608d0d0e11bb543a56893d60ff9 .. _f2fc6af: https://github.com/xraysoftmat/kkcalc/commit/f2fc6af53096804470225fc09306e05f80da76c9 .. _f73128f: https://github.com/xraysoftmat/kkcalc/commit/f73128fbe0ea53a32a5a94498120f44234efb5ba .. _f741969: https://github.com/xraysoftmat/kkcalc/commit/f7419694c0b271b041d3cf3c9097cc57643278a2 .. _fd81bcb: https://github.com/xraysoftmat/kkcalc/commit/fd81bcb93adca1342946b2d1be58d14bfdf399c7 .. _ffa1f6e: https://github.com/xraysoftmat/kkcalc/commit/ffa1f6e5c2aa37c8aa265b9af8caf9bd4030d83d .. _changelog-v0.8.4: v0.8.4 (2024-06-19) ========================== * Initial Release ported to Xraysoftmat from benajamin.