Skip to content

Commit

Permalink
update releasehistory (#1677)
Browse files Browse the repository at this point in the history
  • Loading branch information
j-wags authored Aug 2, 2023
1 parent 794b699 commit 8045c15
Showing 1 changed file with 5 additions and 4 deletions.
9 changes: 5 additions & 4 deletions docs/releasehistory.md
Original file line number Diff line number Diff line change
Expand Up @@ -7,22 +7,23 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
* `micro` increments represent bugfix releases or improvements in documentation


## Current development
## 0.14.1

### API-breaking changes
- [PR #1664](https://github.com/openforcefield/openff-toolkit/pull/1664): Removes `ChemicalEnvironment` and the entire `openff.toolkit.typing.chemistry` submodule, which was deprecated in 0.12.0.

### Behavior changes
- [PR #1675](https://github.com/openforcefield/openff-toolkit/pull/1675): Makes InChI parsing failures more informative and gives them their own exception type, `InChIParseError`.

### New features
- [PR #1627](https://github.com/openforcefield/openff-toolkit/pull/1627): (beta release of major new feature by @connordavel) Adds experimental support for custom substructure loading in `Topology.from_pdb`, via the `_custom_substructures` keyword argument. This will be added to the public API (by removing the leading underscore) in a future feature release, but is available for testing now. This feature should allow for easier loading of modified amino acids, nucleic acids, and other polymers.


### Bugfixes

- [PR #1662](https://github.com/openforcefield/openff-toolkit/pull/1662): Fixes issue [#1660](https://github.com/openforcefield/openff-toolkit/issues/1660) by forbidding the registration of `HierarchyScheme`s with iterator names that conflict with existing `Molecule` attributes.
- [PR #1667](https://github.com/openforcefield/openff-toolkit/pull/1667): A more helpful exception is now raised when `Topology.from_openmm` is given an OpenMM Topology with virtual sites.

### New features
- [PR #1627](https://github.com/openforcefield/openff-toolkit/pull/1627): (beta release of major new feature by @connordavel) Adds experimental support for custom substructure loading in `Topology.from_pdb`, via the `_custom_substructures` keyword argument. This will be added to the public API (by removing the leading underscore) in a future feature release, but is available for testing now. This feature should allow for easier loading of modified amino acids, nucleic acids, and other polymers.

### Examples updated
- [PR #1671](https://github.com/openforcefield/openff-toolkit/pull/1671): Re-rendered all examples using RDKit+AmberTools backend, and using most recent version of OFF Toolkit.

Expand Down

0 comments on commit 8045c15

Please sign in to comment.