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Change Log

All notable changes to this project will be documented in this file.

The format is inspired by Keep a Changelog and tries to adhere to Semantic Versioning. The author interprets the terms below as follows:

  • pre-alpha status: the app runs, but there is no formal unit or functional testing.
  • alpha status: pre-alpha, plus implementation of unit and functional tests.
  • beta status: alpha, plus documentation, implementation of all anticipated Version 1.0.0 features, and installation requirements.
  • release candidate status: beta, plus standalone executable(s) for Windows, Mac OS X, and Linux.
  • Version 1.0.0 release: a minimal app suitable for educational use and not requiring execution from the command line interface.

0.3.2 - 2024-03-06

Fixed:

  • Broken tests and Tk matplotlib backend. Should now work with latest Python

and requirements.

0.3.1 - 2018-05-28

Fixed

  • Second-order toolbars no longer are unresponsive after a refresh.
  • Updating a numerical entry no longer calls the recalculation of spectra twice, so updates now occur faster (this is especially noticeable with large second-order spin systems).

0.3.0 - 2018-05-27 (beta release)

Added

  • Subspectra Navigation: Can now create, delete, and swap between individual subspectrum simulations, and toggle whether or not they are added to the total spectrum simulation.
  • PDF and EPS exporting of the simulated spectrum.
    • Can select landcape or portrait mode for EPS exports.
  • Toolbars now have a "reset" button to restore them to their default settings.
  • PDF documentation (HTML documentation via github.io to follow in a later patch).

Changed

  • Each subspectrum can have its own linewidth setting. This allows, for example, adding a broad singlet for a hydroxyl proton undergoing exchange.
  • The spectrometer frequency can be changed at any time, and will update the subspectrua and total spectrum plots accordingly.
  • The resolution for the plots (number of data points) has been increased. To accomodate this, the maximum spectral window is currently hard-coded to be -1 to +15 ppm.
  • "v min" and "v max" settings allow the user to set the minimum and maximum ppm range for their total spectrum.

Removed

  • "Clear Current/Total Spectrum" buttons (replaced by subspectrum navigation options).
  • "Back" and "Forward" history buttons (replaced by subspectrum navigation options)
  • "Add to Total Spectrum" button in toolbars (replaced by subspectrum navigation options).

0.2.0 - 2017-10-25 (alpha release)

Commit of actual nmrmint application with basic functionality in place.

0.1.0 - 2017-10-14 (pre-alpha release)

Initial Commit