xraypy/xraylarch: 2026.1.0

[2026.1.0 - 2026-01-19]

xralyarch library:

• move wxmplot plotting tools to larch/plot module, to make more consistent with boken and plotly plotting options
• many fixes and use of common utilities to plotting functions for all of wxmplot, bokeh, and plotly
• better detection if wxmplot is running with a Jupyter environment for more interactive plots there.
• read_xdi() now uses a pure-Python XDI reader. This allows detecting the encoding before the file is read, which avoids some oddities for various encodings. It allows is slightly more tolerant of non-XAS data, and preserves more comment lines.
• some updates to beamline reader code to better guess array labels.
• slowly but progressing on removing many leading underscores for function names,
• better handling of param_group with Feffit in Python.
• fix Feff Paths to use and report the full path of the filename, and use that in the Path geometry label, to allow identical paths to be used as separate paths.
• fix reported path degeneracy in Feff Path report (thanks Chris Joseph)
• add better numpy-json encoder using b64 encoding, and use by default (still supporting older versions!).
• add geometry, with angles, to feffpath object.
• fix boxcar averaging to be simpler

Larix:

• in all of Feffit, Pre-edge Peak Fitting, and General Curve Fitting, the "current fit" is now properly recognized for each group, so that switching groups may completely replace the model shown in the main panels
• normalization: fix use of vertical offset in normalization plots.
• normalization: fix remembering explicit setting of edge_step when changing groups
• normalization: copying a group retains energy reference by default.
• normalization: even better "copy parameters" behavior.
• normalization: fix auto_step and also copy_parameter not always resetting parameters for current group
• normalization: better inheritance of e0 and 'auto_e0' from Athena group
• pre-edge peaks: fix recognizing 'background components' when loading pre-edge peak from saved session
• pre-edge peaks: fix exporting fit result
• pre-edge peaks: fix exporting table of components (thanks, Christion Dewey).
• pre-edge peaks: fix setting 'form' when reloading fit using step function (thanks, Christion Dewey).
• curvefit: improve consistency with prepeaks_panel
• curvefit: fix adding model component not always working.
• feffit: fix reading and plotting Feff calculations without data.
• feffit: each Feff Path shows a small table of geometry data, including leg lengths and angles.
• rebin dialog: fix to setting name of the output group and set "boxcar" as the default method.
• deglitch dialog: fixes to masking data
• smoothing dialog: set boxcar smoothing to default.
• when starting up with locked session files, allow marking all session lock files as 'delete'

Other GUIs

• Viewer/Controller overhauled to change from "foreground/background" MCA to support unlimited multiple spectra, and have a "spectra browser" to choose which one or many to show, with a familiar ListBrowser selector. Also, several of the options for how to display data are not active check-boxes above the plot.
• Mapviewer updated to use this new XRF display, with each XRF Map per session having a list of spectra that can be displayed with the spectra browser.
• Mapviewer replaces unused "area stats" to showing legend of positions drawn on the map, with simple numerical labels shown on the map.
• fixes to better support single-element MCA XRF detector, including supporting energy calibration from ndarray.
• many small fixes for XRF fitting GUI with new XRFDisplay
• improve pileup auto-scaling, relying on incident energy being known or guessable
• better peak_finder function
• add PV for incident energy (and units) so that the MCA can have incident energy set
• make sure epics mca is fully updated (for better roi drawing)
• support XRD masks with values > 1
• in XRD 1D Viewer: XRD files are exported to XY with X being 2theta in degrees.

development and maintenance:

• add shortcut/app to run Jupyter Notebook in the Python environment installed with xraylarch
• add conda init to GetLarch shell installer
• attempted but abandoned trying to get macos miniconda environment to work in GitHub Actions.
• allow using XRAYLARCH_NO_PLOT environment variable to effectively disable plotting for testing
• install pytest-xvfb only on linux
• add pymatgen as a conda dependency for testing
• update minimal versions for many dependencies
• update constructor config and GetLarch scripts

docs docs and examples:

• converted many examples from 'larch scripts' to Python scripts
• add many examples using Jupyter, including using wxmplot plotting.