LiPyphilic 0.11.0

What's Changed

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

New Contributors

• @gohdavid made their first contribution in #116

Full Changelog: v0.10.0...v0.11.0

LiPyphilic 0.11.0.dev0

What's Changed

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

New Contributors

• @gohdavid made their first contribution in #116

Full Changelog: v0.10.0...v0.11.0

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.

LiPyphilic 0.9.0

Increased minimum MDAnalysis version to 2.0 and updated documentation.

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.

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.

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.

LiPyphilic 0.6.2

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

See the CHANGELOG for full details.

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.

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.