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Recent Releases of https://github.com/p-j-smith/lipyphilic

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.12.1

What's Changed

  • Release 0.12.1 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/157

Full Changelog: https://github.com/p-j-smith/lipyphilic/compare/v0.12.0...v0.12.1

- Python
Published by p-j-smith 12 months ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.12.0

What's Changed

  • Fix building docs on RTD by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/139
  • Fix RTD docs build by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/140
  • FIx RTD theme by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/141
  • Add 3.12 to version matrix for CI by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/131
  • Fixes #143, returnsurface and returnmidpoint by @RubenChM in https://github.com/p-j-smith/lipyphilic/pull/146
  • Add support for numpy 2.0 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/150
  • Release 0.12.0 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/152
  • Update actions versions by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/153
  • Update upload-artifact and download-artifact actions by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/154
  • Paul/fix upload artifact by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/155
  • Update files included in sdist by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/156

New Contributors

  • @RubenChM made their first contribution in https://github.com/p-j-smith/lipyphilic/pull/146

Full Changelog: https://github.com/p-j-smith/lipyphilic/compare/v0.11.0...v0.12.0

- Python
Published by p-j-smith 12 months ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.11.0

What's Changed

  • Update README.rst by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/93
  • Use attrs and type hints for the MSD analysis class by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/95
  • Use pyproject.toml for project configuration by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/109
  • Use ruff, black, and isort; remove flake 8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/110
  • Restructure into more sensible sub-packages by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/112
  • Add warning to README about upcoming breaking changes by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/111
  • Add attrs as a dependency by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/119
  • Assign 2D histogram diff to membthicknessgrid by @gohdavid in https://github.com/p-j-smith/lipyphilic/pull/116
  • Improve test for surface thickness calculation by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/120
  • Fix flip-flop analyses by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/122
  • Use the MDA Results class for storing analysis results by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/123
  • Deprecate lipyphilic.transformations.nojump by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/124
  • remove triclinic_to_orthorhombic by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/125
  • Put tests in directories that mirror organisation of the library by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/126
  • Single source for package version by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/127
  • Add deprecation warnings by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/128
  • Rename MSD input parameter 'u' to 'universe' by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/129
  • Remove requirement matplotlib < 3.8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/130
  • Handle the case where x and y dimensions are different when binning lipid xy positions by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/133

New Contributors

  • @gohdavid made their first contribution in https://github.com/p-j-smith/lipyphilic/pull/116

Full Changelog: https://github.com/p-j-smith/lipyphilic/compare/v0.10.0...v0.11.0

- Python
Published by p-j-smith over 2 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.11.0

What's Changed

  • Update README.rst by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/93
  • Use attrs and type hints for the MSD analysis class by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/95
  • Use pyproject.toml for project configuration by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/109
  • Use ruff, black, and isort; remove flake 8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/110
  • Restructure into more sensible sub-packages by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/112
  • Add warning to README about upcoming breaking changes by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/111
  • Add attrs as a dependency by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/119
  • Assign 2D histogram diff to membthicknessgrid by @gohdavid in https://github.com/p-j-smith/lipyphilic/pull/116
  • Improve test for surface thickness calculation by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/120
  • Fix flip-flop analyses by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/122
  • Use the MDA Results class for storing analysis results by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/123
  • Deprecate lipyphilic.transformations.nojump by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/124
  • remove triclinic_to_orthorhombic by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/125
  • Put tests in directories that mirror organisation of the library by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/126
  • Single source for package version by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/127
  • Add deprecation warnings by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/128
  • Rename MSD input parameter 'u' to 'universe' by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/129
  • Remove requirement matplotlib < 3.8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/130
  • Handle the case where x and y dimensions are different when binning lipid xy positions by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/133

New Contributors

  • @gohdavid made their first contribution in https://github.com/p-j-smith/lipyphilic/pull/116

Full Changelog: https://github.com/p-j-smith/lipyphilic/compare/v0.10.0...v0.11.0

- Python
Published by p-j-smith over 2 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphillic 0.11.0

What's Changed

  • Update README.rst by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/93
  • Use attrs and type hints for the MSD analysis class by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/95
  • Use pyproject.toml for project configuration by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/109
  • Use ruff, black, and isort; remove flake 8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/110
  • Restructure into more sensible sub-packages by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/112
  • Add warning to README about upcoming breaking changes by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/111
  • Add attrs as a dependency by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/119
  • Assign 2D histogram diff to membthicknessgrid by @gohdavid in https://github.com/p-j-smith/lipyphilic/pull/116
  • Improve test for surface thickness calculation by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/120
  • Fix flip-flop analyses by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/122
  • Use the MDA Results class for storing analysis results by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/123
  • Deprecate lipyphilic.transformations.nojump by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/124
  • remove triclinic_to_orthorhombic by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/125
  • Put tests in directories that mirror organisation of the library by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/126
  • Single source for package version by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/127
  • Add deprecation warnings by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/128
  • Rename MSD input parameter 'u' to 'universe' by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/129
  • Remove requirement matplotlib < 3.8 by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/130
  • Handle the case where x and y dimensions are different when binning lipid xy positions by @p-j-smith in https://github.com/p-j-smith/lipyphilic/pull/133

New Contributors

  • @gohdavid made their first contribution in https://github.com/p-j-smith/lipyphilic/pull/116

Full Changelog: https://github.com/p-j-smith/lipyphilic/compare/v0.10.0...v0.11.0

- Python
Published by p-j-smith over 2 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.10.0

Switched from Travis to GitHub Actions for CI, increased minimum matplotlib version to 3.5, and fixed various bugs.

See the CHANGELOG for more details.

- Python
Published by p-j-smith over 4 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.9.0

Increased minimum MDAnalysis version to 2.0 and updated documentation.

- Python
Published by p-j-smith over 4 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.8.0

Added an on-the-fly trajectory transformation to transform triclinic coordinates into their orthorhombic representation. This means all tools can now handle triclinic systems, so long as this transformation is applied.

See the CHANGELOG for full details.

- Python
Published by p-j-smith almost 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.7.0

Removed support for Python 3.6.

Fixed bugs in lipyphilic.lib.lateral_diffusion.MSD and lipyphilic.transformations.nojump and improved the documentation.

See the CHANGELOG for full details.

- Python
Published by p-j-smith almost 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.6.3

Fixed bug in lipyphilic.lib.order_parameter.SCC.weighted_average, refactored lipyphilic.lib.assign_leaflets, and made improvements to the documentation.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.6.2

Improved performance of lipyphilic.lib.neighbours.Neighbours and lipyphilic.lib.flip_flop.FlipFlop.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.6.1

Added an optional argument to lipyphilic.transformations.center_membrane to control when a membrane is deemed to be broken across periodic boundaries.

Improved documentation and added a 'Powered by MDAnalysis' badge.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.6.0

Added a tool to calculate mean squared displacement and the lateral diffusion coefficient, along with an on-the-fly transformation for performing nojump unwrapping of atomic positions.

Added a lipid enrichment analysis, a method for identifying leaflets in curved membranes that uses MDAnalysis' Leaflet Finder, and refactored parts of the analysis API.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.5.0

Added plotting utilities, trajectory transformations, and new analysis tools.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.4.0

First Beta release of LiPyphilic.

Added more analysis tools and better docs.

See the CHANGELOG for full details.

- Python
Published by p-j-smith about 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.3.2

Correct the requirements in setup.py

- Python
Published by p-j-smith over 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.3.1

Add support for numpy 1.20

- Python
Published by p-j-smith over 5 years ago

https://github.com/p-j-smith/lipyphilic - LiPyphilic 0.3.0

Added tool to calculate interleaflet registration. Fixed bug in Neighbours calculation.

See the CHANGELOG for details.

- Python
Published by p-j-smith over 5 years ago

https://github.com/p-j-smith/lipyphilic - lipyphilic 0.2.0

Add new functionality and improved documentation for lipyphilic.

See the CHANGELOG for details.

- Python
Published by p-j-smith over 5 years ago

https://github.com/p-j-smith/lipyphilic - lipyphilic 0.1.0

First release of lipyphilic. Everything will likely be subject to change.

See the CHANGELOG for details.

- Python
Published by p-j-smith over 5 years ago