Aspecd

Latest version: v0.9.2

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0.9.2

Released 2024-03-24


Fixes
-----

* Revert changes in :class:`aspecd.utils.ToDictMixin` from version 0.9.1, as it caused problems with Matplotlib.
* Updates on contour plots to work with Matplotlib 3.8
* Updates to prevent deprecation warning for NumPy 1.25
* :class:`aspecd.processing.RangeExtraction` extracts correct range for axis values.

0.9.1

Released 2024-01-15


Fixes
-----

* `aspecd.utils.ToDictMixin` does no longer modify the ``__dict__`` or ``__odict__`` property of a class directly, what may have resulted in unexpected behaviour, but operates on a (deep)copy.


Changes
-------

* Use Black for automatic code formatting

0.9.0

Released 2024-01-13


New features
------------

* Processing steps

* `aspecd.processing.CommonRangeExtraction` works for ND datasets with arbitrary dimension *N*

* Plotting

* Legend title can be set from recipes

* New attribute `aspecd.plotting.AxesProperties.invert` for inverting axes. Helpful, *e.g.*, for plotting FTIR data without having to resort to explicitly provide descending axis limits.

* Setting font size of axes labels via ``label_fontsize`` property.

* Colorbar for 2D plotter

* Annotations for plots

* Device data

* New property `aspecd.dataset.Dataset.device_data` for storing additional/secondary (monitoring) data.

* New class `aspecd.dataset.DeviceData` for device data.
* New class `aspecd.analysis.DeviceDataExtraction` for extracting device data from a dataset as a separate dataset. This allows to proceed with the extracted datasets as with any other dataset.
* New class `aspecd.plotting.MultiDeviceDataPlotter1D` for plotting multiple device data of a single dataset.

* New parameter ``device_data`` in `aspecd.plotting.Plotter` for plotting device data rather than primary data of a dataset/datasets

* Logging

* New function `aspecd.utils.get_logger` to get a logger object for a given module with the logger within the hierarchy of the ASpecD root logger. Important for packages derived from the ASpecD framework in order to get their log messages being captured, *e.g.* during recipe-driven data analysis.


Changes
-------

* Plotters can now handle device data instead of the primary data of a dataset (see above). This means, however, that instead of accessing ``self.dataset.data`` (or ``self.datasets[].data``), plotters need to access ``self.data.data`` (or ``self.data[].data``) instead.

**Authors of derived packages should update their plotters accordingly.** See the hints for developers on device data in the plotting module.

* Serving recipes logs messages from all ASpecD modules, not only from the `aspecd.tasks` module.

* `aspecd.io.DatasetImporterFactory` logs warning if no concrete importer could be found for a given dataset, as this will usually result in (sometimes hard to detect) downstream problems.

* `aspecd.io.DatasetExporter` adds a history record to `aspecd.dataset.Dataset.tasks`.

* `aspecd.plotting.SinglePlotter1D` and `aspecd.plotting.MultiPlotter1D` issue warning with log plotters and negative values.

* `aspecd.annotation.DatasetAnnotation` has been renamed from ``Annotation`` to reflect the fact that there are now plot annotations as well.


Documentation
-------------

* New example: Plotting FTIR spectra normalised to spectral feature
* Section with general tips and tricks for styling plotters.


Fixes
-----

* `aspecd.utils.ToDictMixin.to_dict` does not traverse settings for properties to exclude and include.
* Workaround for `matplotlib.figure.Figure.savefig` not correctly handling figure DPI settings.

0.8.3

Released 2023-09-08

Fixes


* Exporter tasks (`aspecd.tasks.ExportTask`) automatically save datasets with default name if no target is provided.
* Correct setting of contour plot properties with newer versions of Matplotlib


Changes


* `aspecd.processing.Interpolation` changed interpolation method for 2D data from deprecated `scipy.interpolate.interp2d` to `scipy.interpolate.RegularGridInterpolator`


New features


* `aspecd.processing.Interpolation` works for *N*D datasets with arbitrary dimension *N*
* `aspecd.tasks.Recipe` with new setting ``autosave_datasets`` (default: ``True``)

0.8.2

Released 2023-08-24

Fixes

* Handling of too long filenames when saving plots: the filename is replaced by its MD5 hash.

New features

* New setting ``default_colormap`` in recipes.
* Property ``colormap`` in ``aspecd.plotting.SinglePlot2DProperties``, allowing for consistently setting (default) colormaps for 2D surface plots within a recipe.

0.8.1

Released 2023-08-11

Documentation

* New section on metadata during data acquisition
* New section with examples
* New section with data publications


Fixes

* Baseline correction in `aspecd.processing.BaselineCorrection` issues warning if more than 100% of the data are used and resets to 50% on each side.
* Recipe history contains importer parameters

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