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Changelog

v0.2.8 (2022-09-29)

Fix

  • Fix plotting widget callbacks for matplotlib 3.6.0. [JM Rohwer]
  • Fix parsing of Bruker D1 parameter when reading in data. [JM Rohwer]

v0.2.7 (2022-01-14)

New

  • Continuous integration: add Anaconda build script via github actions. [JM Rohwer]
  • Update unit tests with a suite of all tests except plotting. [JM Rohwer]
  • Continuous integration: add cibuildwheel script via github actions. [JM Rohwer]

Fix

  • Fix FidArray.del_fid() [JM Rohwer]
  • Clean up plotting code, fix widgets for matplotlib 3.5 and ipympl 0.8. [JM Rohwer]

v0.2.6 (2021-08-05)

New

  • Update acqtime array when deleting Fid with FidArray.del_fid() [JM Rohwer]

Changes

  • Update documentation with new functionality. [JM Rohwer]
  • Update processing so that FidArray.t and FidArray._params['acqtime'] refer to t in the middle of the acquisition, not at the end (for easier time course analysis) [JM Rohwer]

Fix

  • Fix FidArray.save_to_file() to delete all selection widgets, these can't be pickled. [JM Rohwer]

v0.2.5 (2021-03-05)

New

  • FidArray.save_to_file() can automatically generate filename from fid_path. [JM Rohwer]

Fix

  • Fix GUI peak and range selection widgets, prevent from freezing. [JM Rohwer]

v0.2.4 (2020-06-22)

New

  • Update documentation for conda install. [JM Rohwer]
  • Add conda recipe for packaging. [JM Rohwer]

Fix

  • Fix plot_deconv_array() arguments. [JM Rohwer]

v0.2.3 (2020-06-15)

New

  • Use ipywidgets.Output() in selection widgets for compatibility with ipympl 0.5.0+ [JM Rohwer]

Changes

  • Update references to '%matplotlib widget' in docs and tutorial notebook. [JM Rohwer]

Fix

  • Fix integral trace selection exceptions. [JM Rohwer]

v0.2.2 (2020-06-10)

New

  • Add test for calibrate() [JM Rohwer]
  • Add tests for new Bruker array set import functionality. [JM Rohwer]
  • Update documentation for phaser() and calibrate() methods. [JM Rohwer]
  • Add Bruker test data for interleaved array experiment. [JM Rohwer]
  • New Bruker importer that can deal with arrays of experiments, also with different nuclei interleaved. [JM Rohwer]
  • Add .calibrate() method to FidArray for offset calibration. [JM Rohwer]
  • Add .calibrate() method to Fid for spectrum offset calibration. [JM Rohwer]
  • Add CHANGELOG.rst (generated with gitchangelog) [JM Rohwer]
  • Add .gitchangelog.rc. [JM Rohwer]

Changes

  • Update quickstart_tutorial.ipynb with modified phaser() and new calibrate() methods. [JM Rohwer]
  • Update Phaser() to display cumulative phase angles at bottom of plot and update live. [JM Rohwer]
  • Add link to CHANGELOG on README.md. [Johann Rohwer]
  • Clean up BrukerImporter and VarianImporter to remove code duplication. [JM Rohwer]
  • Simplify instantiation of FidArray by calling nmrpy.from_path() directly. [JM Rohwer]

Fix

  • Fix calculation of time in plot_array() and plot_deconv_array() [JM Rohwer]
  • Fix calculation of 'sw' in _extract_procpar_varian() [JM Rohwer]
  • Make phaser widget display cumulative phase correction so that it can be applied in scripts. [JM Rohwer]
  • Fix linebreaks in docstrings. [JM Rohwer]
  • Fix Fid.plot_ppm() to display Time on x-axis if data have not been Fourier-transformed. [JM Rohwer]
  • Fix grepping of version tags in .gitchangelog.rc. [JM Rohwer]
  • Fix version number for docs, fix Phaser widget, fix data files in setup.py. [JM Rohwer]

v0.2.1 (2020-02-18)

New

  • Add Quickstart Tutorial jupyter notebook. [JM Rohwer]
  • Update documentation, add reference to example Jupyter notebook (to be completed) [JM Rohwer]
  • Add installation instructions to README. [JM Rohwer]

Changes

  • Bump version to 0.2.1. [JM Rohwer]

Fix

  • Fix bug with phaser widget that prevented saving of FidArray. [JM Rohwer]

v0.2 (2020-02-14)

New

  • Fix setup.py for proper packaging as wheel and tarball, add long_description. [JM Rohwer]
  • Add instructions for tests to documentation. [JM Rohwer]
  • Refactor tests so that they can be run from within the module. [JM Rohwer]
  • Update setup.py to copy tests and test files, as well as PDF docs. [JM Rohwer]
  • Update documentation for Version 0.2. [JM Rohwer]
  • Initial work on updating docs (Quickstart tutorial) [JM Rohwer]
  • Update docs (Installation) [JM Rohwer]
  • Added version attribute. [JM Rohwer]
  • Refactor FidArray.select_integral_traces() to work with ipympl. [JM Rohwer]
  • Fix Fid.peakpicker(), make widget a separate class as for other pickers and selectors. [JM Rohwer]
  • Finish Peak Trace Selector integration with ipympl. [JM Rohwer]
  • Make Peak Trace Selector work with ipympl, work in progress. [JM Rohwer]
  • Refactor baseliner widget (for FidArray) to work with ipympl. [JM Rohwer]
  • Refactor phaser widget and baseliner widget (for Fid) to work with ipympl. [JM Rohwer]
  • Refactor FidArray peakpicker widget to work with ipympl. [JM Rohwer]
  • Move 'assign' functionality in peak picker widget to a mixin class. [JM Rohwer]
  • Refactor Fid peak picker widget to work with ipympl. [JM Rohwer]

Changes

  • Remove debugging 'print' statements from nmrpy_tests.py. [JM Rohwer]
  • Update .gitignore. [JM Rohwer]
  • Update copyright, authors and version increment. [JM Rohwer]
  • Edit .gitignore. [JM Rohwer]
  • Update author information. [JM Rohwer]
  • General cleanup, replace pylab with matplotlib.pyplot as plt. [JM Rohwer]
  • Remove unnecessary requirements. [JM Rohwer]
  • Clean up FidArray.peakpicker_traces() [JM Rohwer]
  • Clean up FidArray.baseliner() [JM Rohwer]
  • Clean up FidArray.peakpicker() [JM Rohwer]
  • Clean up Fid.baseliner() [JM Rohwer]
  • Replace 'pylab' with 'plt' according to matplotlib best practice. [JM Rohwer]
  • Make figsizes smaller so figs fit into Jupyter notebook. [JM Rohwer]
  • Remove unused mlab function 'dist' [JM Rohwer]
  • Edit .gitignore. [JM Rohwer]
  • Update requirements to less strict versions. [JM Rohwer]
  • Add .idea directory to .gitignore. [JM Rohwer]

Fix

  • Fix elementwise comparison deprecation bug. [JM Rohwer]
  • Fix docstrings for Sphinx. [JM Rohwer]
  • Fix bug with peakpicker() and y_indices. [JM Rohwer]
  • Update complex dtypes to work under win32. [JM Rohwer]
  • Remove binary dist files and egg-info from version control (created automatically during setup) [JM Rohwer]
  • Fix default offset values. [JM Rohwer]
  • Fix offset. [JM Rohwer]
  • Fix plt name collisions. [JM Rohwer]
  • Fix instantiation of selector classes so that FidArray saves properly. [JM Rohwer]
  • Fix bug with peaks and ranges in DataSelector() [JM Rohwer]
  • Fix bug in Fid.baseline_correct() [JM Rohwer]
  • Clean up passing of fid arguments to peak picker. [JM Rohwer]
  • Fix requirements. [JM Rohwer]
  • Fix typos in docstrings and a syntax error with 'is None' [JM Rohwer]
  • Fix requirements. [JM Rohwer]
  • Rename README. [JM Rohwer]
  • 'is None' fixes to plotting.py. [JM Rohwer]

v0.1 (2016-09-15)

  • Initial release. [Johann Eicher]