Stk

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2021.8.2.0

* (380 ) lukasturcani added support for 3D molecular renderings in the compiled documentation, see examples [here](https://stk.readthedocs.io/en/stable/basic_examples.html).
* (356) andrewtarzia Added the `Spinner` optimizer, which can be used to optimize the position of guests in the host-guest complex.
* (377) lukasturcani added a new method `BuildingBlock.get_num_placers()`.
* (350) lukasturcani added a new section to the docs sidebar, which lists the available molecular writers.
* (375) lukasturcani improved the collection speed of tests.
* (364) lukasturcani added `Bond.with_ids()` and `FunctionalGroup.with_ids()`.
* (363) andrewtarzia updated documentation to use the latest API for writing molecules.
* lukasturcani started adding support for type hints.

2021.6.14.0

* (346) andrewtarzia made vertices used to construct topology graphs public, allowing users to more easily implement their own topology graphs.

2021.5.26.0

* (343) lukasturcani changed construction slightly to prevent non-determinism due to the use of the `svd` algorithm. Most molecular structures should be unaffected.
* (338) lukasturcani made changes to the `polymer.Linear` topology graph so that it can be used to create a polymer consisting of a single `BuildingBlock`.
* (337) lukasturcani removed a bunch of deprecation warnings, as well as the deprecated features they were warning about.
* (332) andrewtarzia added a warning to the `Macrocycle` topology graph for macrocycles consisting of 2 molecules, because in this case it may end up with crossed bonds.
* (326) lukasturcani added caching of fitness values to the `PropertyVector` fitness calculator.
* (336) lukasturcani changed updated all the code examples in the documentation to doctest blocks, which means they now get run and tested as part of CI.

2021.04.27.0

No code changes here, just various improvements to the CI.

2021.04.26.0

* andrewtarzia added the `PeriodicCollapser`. This is an `Optimizer` which can be used with periodic molecules such as covalent organic frameworks. It uses https://github.com/andrewtarzia/MCHammer internally.
* lukasturcani added `PeriodicConstructionResult` which can be used to get the `PeriodicInfo` of a constructed molecule. `TopologyGraph.get_periodic_info()` has been deprecated. See 313 for a discussion on why.
* lukasturcani added `ConstructedMolecule.init_from_construction_result()`.

2021.03.11.0

* lukasturcani and andrewtarzia added the `Optimizer` interface for topology graphs
* andrewtarzia added optimizers for topology graphs, which use https://github.com/andrewtarzia/MCHammer
* andrewtarzia added unaligning vertices for COFs

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