-
Notifications
You must be signed in to change notification settings - Fork 2
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge branch 'main' of github.com:molarverse/pqanalysis
- Loading branch information
Showing
1 changed file
with
130 additions
and
10 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,15 +1,135 @@ | ||
| # Changelog | ||
|
|
||
| All notable changes to this project will be documented in this file. | ||
|
|
||
| The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), | ||
| and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). | ||
| The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/) | ||
| and this project adheres to [Semantic Versioning](http://semver.org/spec/v2.0.0.html). | ||
|
|
||
| <!-- insertion marker --> | ||
| ## [v1.0.11](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.11) - 2024-06-01 | ||
|
|
||
| <small>[Compare with v1.0.10](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.10...v1.0.11)</small> | ||
|
|
||
| ## [v1.0.10](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.10) - 2024-05-31 | ||
|
|
||
| <small>[Compare with v1.0.9](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.9...v1.0.10)</small> | ||
|
|
||
| ### Bug Fixes | ||
|
|
||
| - logger now working again also for cli tools ([e101a7b](https://github.com/MolarVerse/PQAnalysis/commit/e101a7b7d44e1ac41de1ee33c3058a22960ad33b) by Jakob Gamper). | ||
|
|
||
| ## [v1.0.9](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.9) - 2024-05-31 | ||
|
|
||
| <small>[Compare with v1.0.7](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.7...v1.0.9)</small> | ||
|
|
||
| ### Code Refactoring | ||
|
|
||
| - Update release workflow to include PyPI publishing on tag pushes ([5233a6c](https://github.com/MolarVerse/PQAnalysis/commit/5233a6c6056099efa275493fc38cf986981d511c) by Jakob Gamper). | ||
| - Update release workflow to include CHANGELOG.md generation and commit ([b52c958](https://github.com/MolarVerse/PQAnalysis/commit/b52c958a10c8346022173d2ad989a7401d16f8aa) by Jakob Gamper). | ||
| - Update release workflow to include permissions and branch filtering ([ccfe903](https://github.com/MolarVerse/PQAnalysis/commit/ccfe903571a50f5cc6a2d1a693185c00c5b03810) by Jakob Gamper). | ||
| - Update release workflow to include CHANGELOG.md generation and commit [skip ci] ([1e81a5f](https://github.com/MolarVerse/PQAnalysis/commit/1e81a5f751e633a2d2ee50075104548580098839) by Jakob Gamper). | ||
|
|
||
| ## [v1.0.7](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.7) - 2024-05-31 | ||
|
|
||
| <small>[Compare with v1.0.6](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.6...v1.0.7)</small> | ||
|
|
||
| ## [v1.0.6](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.6) - 2024-05-30 | ||
|
|
||
| <small>[Compare with v1.0.5](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.5...v1.0.6)</small> | ||
|
|
||
| ### Features | ||
|
|
||
| - Use vectorized allclose function for element-wise comparison of arrays in Cell class ([6e98813](https://github.com/MolarVerse/PQAnalysis/commit/6e9881395f00749d06e8e295b1f6d62c4161908d) by Josef M. Gallmetzer). | ||
| - Update isclose method to accept any object for comparison ([28b3bee](https://github.com/MolarVerse/PQAnalysis/commit/28b3bee6b202a7da2f3c90b0f8ec305c3fbbf8c7) by Jakob Gamper). | ||
| - Add pytest marker for utils module tests ([1100b4d](https://github.com/MolarVerse/PQAnalysis/commit/1100b4d00442285d4fb76eff5bd3ffc81792bbf2) by Jakob Gamper). | ||
| - Add vectorized allclose function for element-wise comparison of numpy arrays ([b70f7ef](https://github.com/MolarVerse/PQAnalysis/commit/b70f7efe0888140a1b8524d848eda0bb77d4ed2a) by Jakob Gamper). | ||
| - Add isclose method to Trajectory class for comparing trajectories ([22b5ff2](https://github.com/MolarVerse/PQAnalysis/commit/22b5ff2b8381f993291226a048bc632f98934069) by Josef M. Galletzer). | ||
| - Add functionality to add line comments to the topology ([041a5fc](https://github.com/MolarVerse/PQAnalysis/commit/041a5fcb0674c8aaa35d4d459cf5f080426b916e) by Jakob Gamper). | ||
|
|
||
| ### Code Refactoring | ||
|
|
||
| - Update .github/workflows/pylint.yml to include .github/.pylint_cache in the commit ([15a5cfc](https://github.com/MolarVerse/PQAnalysis/commit/15a5cfcb7c65d717b4544e185158af76ae0220a9) by Jakob Gamper). | ||
| - Update isclose method to use smaller default tolerances for element-wise comparison ([48668aa](https://github.com/MolarVerse/PQAnalysis/commit/48668aa3f9783e675c248d4e9b8bfbd24f68469e) by Josef M. Gallmetzer). | ||
| - Update Trajectory class to use vectorized allclose function for element-wise comparison of arrays ([f9fa8c8](https://github.com/MolarVerse/PQAnalysis/commit/f9fa8c83e2c0a876d632aa59d8f4eb57b6a9587d) by Josef M. Gallmetzer). | ||
| - Use vectorized allclose function for element-wise comparison of arrays ([84608c4](https://github.com/MolarVerse/PQAnalysis/commit/84608c4421004c9476b559fd6265d3498ff7e3e9) by Josef M. Gallmetzer). | ||
|
|
||
| ## [v1.0.5](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.5) - 2024-05-26 | ||
|
|
||
| <small>[Compare with v1.0.4](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.4...v1.0.5)</small> | ||
|
|
||
| ## [v1.0.4](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.4) - 2024-05-25 | ||
|
|
||
| <small>[Compare with v1.0.3](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.3...v1.0.4)</small> | ||
|
|
||
| ## [v1.0.3](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.3) - 2024-05-23 | ||
|
|
||
| <small>[Compare with v1.0.2](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.2...v1.0.3)</small> | ||
|
|
||
| ### Features | ||
|
|
||
| - Add benchmark for reading trajectories with different frame counts ([ec82fd6](https://github.com/MolarVerse/PQAnalysis/commit/ec82fd680dc0b6da8420ffff0df0834a935aad3a) by Josef M. Galletzer). | ||
|
|
||
| ## [v1.0.2](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.2) - 2024-05-13 | ||
|
|
||
| <small>[Compare with v1.0.1](https://github.com/MolarVerse/PQAnalysis/compare/v1.0.1...v1.0.2)</small> | ||
|
|
||
| ## [v1.0.1](https://github.com/MolarVerse/PQAnalysis/releases/tag/v1.0.1) - 2024-05-13 | ||
|
|
||
| <small>[Compare with v0.5.2](https://github.com/MolarVerse/PQAnalysis/compare/v0.5.2...v1.0.1)</small> | ||
|
|
||
| ### Features | ||
|
|
||
| - Refactor TrajectoryReader window generator and test final ([7c36182](https://github.com/MolarVerse/PQAnalysis/commit/7c3618258e55103af2127d82bef31d1808f0619a) by Josef M. Gallmetzer). | ||
| - Improve error handling in TrajectoryReader class with tests (not complete) ([4f93e9a](https://github.com/MolarVerse/PQAnalysis/commit/4f93e9a72d967eeb50aaad6b6ef8ff359107b832) by Josef M. Gallmetzer). | ||
| - Add pop method to Trajectory class ([1a82dc3](https://github.com/MolarVerse/PQAnalysis/commit/1a82dc3b1c7d199d5ae1d08a10694f2ce654e1ee) by Josef M. Gallmetzer). | ||
| - Update Trajectory Reader class to include a window generator ([6de6d9d](https://github.com/MolarVerse/PQAnalysis/commit/6de6d9dba052f0fa960ee88af74481f6436fa560) by Josef M. Gallmetzer). | ||
| - add window_generator method to TrajectoryReader class ([95d0191](https://github.com/MolarVerse/PQAnalysis/commit/95d01910a038b802f3d262320508153556808ef3) by Josef M. Gallmetzer). | ||
| - Add custom_exception attribute to log records in CustomLogger class ([a0c9ce7](https://github.com/MolarVerse/PQAnalysis/commit/a0c9ce72ce524819734d01fbbc28dba14bac87c8) by Josef M. Gallmetzer). | ||
| - Update Trajectory class window method documentation ([5206384](https://github.com/MolarVerse/PQAnalysis/commit/5206384d111ca02e1a9cd568f5d03513036b40b4) by Josef M. Gallmetzer). | ||
| - Refactor window method in Trajectory class and adjusted the tests ([628e6bb](https://github.com/MolarVerse/PQAnalysis/commit/628e6bb808094ed9a2dffe1e7e8325a26eebba17) by Josef M. Galletzer). | ||
| - add window method to Trajectory class ([84bc46c](https://github.com/MolarVerse/PQAnalysis/commit/84bc46c34d981b22b1928e5a84867556e5293e11) by Josef M. Galletzer). | ||
|
|
||
| ### Code Refactoring | ||
|
|
||
| - Initialize length_of_traj to 0 in TrajectoryReader constructor and tested file change ([f5834e1](https://github.com/MolarVerse/PQAnalysis/commit/f5834e19e13294712fc5747e4fbbefe798cb5831) by Josef M. Galletzer). | ||
|
|
||
| ## [v0.5.2](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.5.2) - 2023-12-09 | ||
|
|
||
| <small>[Compare with v0.5.1](https://github.com/MolarVerse/PQAnalysis/compare/v0.5.1...v0.5.2)</small> | ||
|
|
||
| ## [v0.5.1](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.5.1) - 2023-11-28 | ||
|
|
||
| <small>[Compare with v0.5.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.5.0...v0.5.1)</small> | ||
|
|
||
| ## [v0.5.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.5.0) - 2023-11-28 | ||
|
|
||
| <small>[Compare with v0.4.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.4.0...v0.5.0)</small> | ||
|
|
||
| ## [v0.4.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.4.0) - 2023-11-12 | ||
|
|
||
| <small>[Compare with v0.3.2](https://github.com/MolarVerse/PQAnalysis/compare/v0.3.2...v0.4.0)</small> | ||
|
|
||
| ## [v0.3.2](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.3.2) - 2023-11-10 | ||
|
|
||
| <small>[Compare with v0.3.1](https://github.com/MolarVerse/PQAnalysis/compare/v0.3.1...v0.3.2)</small> | ||
|
|
||
| ## [v0.3.1](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.3.1) - 2023-11-09 | ||
|
|
||
| <small>[Compare with v0.3.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.3.0...v0.3.1)</small> | ||
|
|
||
| ## [v0.3.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.3.0) - 2023-11-09 | ||
|
|
||
| <small>[Compare with v0.2.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.2.0...v0.3.0)</small> | ||
|
|
||
| ## [v0.2.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.2.0) - 2023-10-31 | ||
|
|
||
| <small>[Compare with v0.1.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.1.0...v0.2.0)</small> | ||
|
|
||
| ## [v0.1.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.1.0) - 2023-10-24 | ||
|
|
||
| <small>[Compare with v0.0.0](https://github.com/MolarVerse/PQAnalysis/compare/v0.0.0...v0.1.0)</small> | ||
|
|
||
| ## [v0.0.0](https://github.com/MolarVerse/PQAnalysis/releases/tag/v0.0.0) - 2023-10-23 | ||
|
|
||
| ## [v1.0.8.1] - 2024-05-31 | ||
| ### :recycle: Refactors | ||
| - [`1e81a5f`](https://github.com/MolarVerse/PQAnalysis/commit/1e81a5f751e633a2d2ee50075104548580098839) - Update release workflow to include CHANGELOG.md generation and commit [skip ci] *(commit by [@97gamjak](https://github.com/97gamjak))* | ||
| - [`37d709a`](https://github.com/MolarVerse/PQAnalysis/commit/37d709ab679d94df697bc7ca9c278a566264ae31) - Update release workflow to include CHANGELOG.md generation and commit *(commit by [@97gamjak](https://github.com/97gamjak))* | ||
| - [`ccfe903`](https://github.com/MolarVerse/PQAnalysis/commit/ccfe903571a50f5cc6a2d1a693185c00c5b03810) - Update release workflow to include permissions and branch filtering *(commit by [@97gamjak](https://github.com/97gamjak))* | ||
| - [`b52c958`](https://github.com/MolarVerse/PQAnalysis/commit/b52c958a10c8346022173d2ad989a7401d16f8aa) - Update release workflow to include CHANGELOG.md generation and commit *(commit by [@97gamjak](https://github.com/97gamjak))* | ||
| - [`5233a6c`](https://github.com/MolarVerse/PQAnalysis/commit/5233a6c6056099efa275493fc38cf986981d511c) - Update release workflow to include PyPI publishing on tag pushes *(commit by [@97gamjak](https://github.com/97gamjak))* | ||
| <small>[Compare with first commit](https://github.com/MolarVerse/PQAnalysis/compare/e5b4d04ce4e5a3c6e910f027a1f443cb0fc1fb39...v0.0.0)</small> | ||
|
|
||
| [v1.0.8.1]: https://github.com/MolarVerse/PQAnalysis/compare/v1.0.7...v1.0.8.1 |