Gemd

Latest version: v2.1.9

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0.9.0

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.

0.8.0

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.

0.7.3

Improvements

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

0.7.2

What’s New
* We've added support for [molecular structures](https://citrineinformatics.github.io/gemd-docs/specification/value-types/#molecular-structure). 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](https://github.com/CitrineInformatics/gemd-python/blob/master/CONTRIBUTING.md). 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.

0.6.4

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.

0.6.2

This release migrates to the official `gemd` name. The contents of the `taurus` module have been moved to `gemd`, but the `taurus` module was deprecated rather than removed. It will be removed in `0.7.0`.

What's new
* The `gemd` module! GEMD stands for "Generalized Expression of Materials Data" and is the official name of Citrine's data model! The "taurus" code name served us well and will be missed.

Improvements
* The `gemd.entity.bounds`, `gemd.entity.attribute`, `gemd.entity.value`, and `gemd.entity.template` modules join `gemd.entity.object` in importing their members, allowing imports like `from gemd.entity.template import ProcessTemplate, ParameterTemplate`.

Deprecated
* The `taurus` module is deprecated and will be removed in the next feature release. Migration involves replacing `taurus` with `gemd` in imports and `TaurusEncoder`/`TaurusJson` with `GEMDEncoder` and `GEMDJson`.

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