GEMD v0.12.1 is released!

This release corrects issues in the previous release.

Bugfixes

• name and labels fields on Ingredient Runs could be stale following some orders of operations. This corrects this by directly pulling the data in from an associated Ingredient Spec where possible.

v0.12.0 is released!

What's New

• Following from our shift in best practices (as described in the docs), we are migrating Object constructors to conform. Specifically, we are removing the option to use positional arguments.
• The name and labels arguments to the IngredientRun constructor have been deprecated for quite some time, and so those arguments have been removed.

Fixes

• The setting of name and labels fields within IngredientRun objects has been deprecated for some time, but there were no explicit warnings being emitted. To help people migrate code, appropriate warnings have been added to the setters for those fields.

v0.11.1 is released!

Fixes

• The cake demonstration code had UIDs that collided in a case-insensitive way. This has been corrected, and the tests augmented to include that scenario.
• In JSON serialization for python < 3.6, there appear to be some cases where ints are serialized as floats, which in turn caused type errors on ingest. NominalInteger and UniformInteger are now float tolerant so long as the value is integer.
• And we cleaned up the demonstration code while we were in there.

GEMD v0.11.0 is released!

Improvements

• This release include a number of improvements to one of our pieces of demonstration code (demo/cake). Many more annotations and better coding and naming practice are now available throughout the example.
• We've also made it possible to change the scope of the demo, which in turn makes it possible for multiple versions of the data structures it generates to coexist without colliding keys.

GEMD v0.10.0 is released!

What's New

• We've updated the guidance for contributing to reflect better practice. This includes adding type hints and not allowing positional arguments for methods that have multiple arguments.

Improvements

• The string representation of LinkByUID objects has been changed to match their field names.

Fixes

• If the flatten method is invoked on a BaseEntity, it now includes that object in the returned list.

GEMD v0.9.0 is released!

Improvements

• Some ambiguous units strings (e.g. t) were removed to prevent assignment of the wrong units.
• Bounds are now optional on object templates and no longer copied from the corresponding attribute template.

GEMD v0.8.0 is released!

What’s New

You can now choose your preferred default scope. We've added an argument to our GEMDJson constructor so that the default scope when auto-generating ids in serialization (formerly auto) can suit your need.

Fixes

Following the removal of support for Python < 3.5, we still were importing enum34, which was causing some problems with the most current version of the core packages. This has been corrected.

GEMD v0.7.3 is released!

Improvements

This update modifies the cake sample data to use the InChI of vanillin rather than the InChI for sodium chloride.

GEMD v0.7.2 is released!

What’s New

• We've added support for molecular structures. Now information can be stored and communicated about the structure of a molecule in either SMILES or InChI format.

Improvements

• We've updated the documentation on how to contribute. It provides detailed information on how to deploy a new version to pypi as well as clear documentation of our coding standards.
• We've augmented our cake demo to include the new molecular structure bounds and value types. Take a look at the Abstract Salt and Abstract Sugar nodes.

Fixes

• We fixed an error with the fuzzing behavior on cake examples so that you can no longer get volume fractions greater than 1.

Obsoleted

• With the transition past v0.7.0, we've removed the now-obsolete support for the taurus namespace.

GEMD v0.6.4 is released!

This release improves the Strehlow and Cook demo data.

What's New

• The Strehlow and Cook demo template scope is now configurable. The desired template scope can be passed as an argument to the command line invocation or to any method that uses it. The scope defaults to the previous value to ensure backwards compatibility

Fixes

• The Strehlow and Cook demo now uses unified material specs for replicate chemical formulas, as opposed to the previous behavior of creating a new one each time.