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v0.2.0 - Cif reading support

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@Baharis Baharis released this 10 Jun 14:39
00697c5

In the latest patch, a decent support for cif files was added. In particular, Crystallographic Information Files can be now safely read and accessed using a dictionary-like syntax. Individual cif files are available as CifFrame objects, whereas individual data blocks within them are available as CifBlock objects. Both of them are a simple subclasses of OrderedDict with some simple methods. Both CifFrame and CifBlock can be read from cif file, and data from CifBlock can be accessed in desired type using get_as_type method.

In order to handle uncertainties in cif files, a package with this name has been added to the requirements and used to handle uncertainties in both CifFrame and new UBaseFrame. The latter (along BaseFrame) can now be filled from CifFrame and used to perform operations with standard deviations. Using this capability, a new calculate_similarity_indices script has been added.

Finally, from the project stand-point, a support for automated tests and CI integration was added. The tests themselves were extended (although they still cover an unfortunately small part of code).

Update: Due to a twine mistake at upload, some resource files were not included to the package at PyPI during upload. As a result, many capabilities of hikari v0.2.0 are lost there. As a result, a hotfixed version 0.2.1 should be used instead.

What's Changed

Full Changelog: v0.1.5...v0.2.0