LiPyphilic CHANGELOG

0.11.0 (2023-11-18)

PR#133 Handle the case where x and y dimensions are different when binning lipid xy positions
PR#129 Rename MSD input parameter ‘u’ to ‘universe’
PR#128 Add deprecation warnings
PR#125 Remove triclinic_to_orthorhombic
PR#124 Deprecate lipyphilic.transformations.nojump
PR#123 Use the MDA Results class for storing analysis results
PR#122 Fix flip-flop analyses
PR#120 Improve test for surface thickness calculation
PR#116 Assign 2D histogram diff to memb_thickness_grid by
PR#119 Add attrs as a dependency
PR#112 Restructure into more sensible sub-packages
PR#110 Use ruff, black, and isort; remove flake 8
PR#109 Use pyproject.toml for project configuration
PR#95 Use attrs and type hints for the MSD analysis class
PR#93 Update README.rst

PR89 Delete temporary files created by tests
PR88 Use GitHub Actions for running tests rather than Travis.
PR#86 Add option to SCC.project_SCC to not unwrap lipids before calculating their center of masses

PR#74 Add the triclinic_to_orthorhombic transformation in order to support analysis of triclinic systems

PR#70 Remove support for Python 3.6
PR#69 Change MSD lagtimes to be in ns rather than ps. Fix nojump unwrapping for the first frame.

PR#60 AssignLeaflets and AssignCurvedLeaflets inherit from shared leaflet analysis base class
PR#59 Ensure SCC.weighted_average can handle different sized sn1 and sn2 residue groups.
PR#56 Update docs

PR#54 Fixed typos in docs
PR#53 Improved performance of lipyphilic.analysis.flip_flop.FlipFlop
PR#52 Improved performance of lipyphilic.analysis.neighbours.Neighbours (Fixes #51)

PR#44 Refactor the Registration analysis to have a more useful API
PR#43 Add a method for calculating the lipid enrichment/depletion index
PR#42 Add a MSD and lateral diffusion analysis, as well as a transformation to perform “nojump” unwrapping.
PR#39 Add support for assigning lipids to leaflets of highly curved membranes

PR#38 Add a trajectory transformation for unwrapping broken membranes (Fixes #37)
PR#36 Add method for projecting areas onto the membrane plane (Fixes #33)
PR#35 Added a tool for calculating membrane thickness (Fixes #34)
PR#32 ZThickness.average() now returns a new ZThickness object rather than a NumPy array
PR#31 SCC.weighted_average() now returns a new SCC object rather than a NumPy array
PR#30 Add class for plotting projections of membrane properties onto the xy plane.
PR#29 Added plotting of joint probability distributions or PMFs (Fixed #28).

PR#26 Added a tool to calculate the thickness of lipids or their tails (Fixes #25)
PR#24 Added a tool to calculate the coarse-grained order parameter (Fixes #23)
PR#22 Added a tool to calculate orientation of lipids in a bilayer (Fixes #20)
PR#21 Added a tool to calculate lipid height in a bilayer (Fixes #19)
Better description of analysis tools in the docs
Updated installation instructions, including installing via conda-forge