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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

0.10.0 (2021-12-29)

  • 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

0.9.0 (2021-09-02)

  • PR#78 Min MDAnalysis version increased to 2.0

0.8.0 (2021-07-31)

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

0.7.0 (2021-07-03)

  • 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.

0.6.3 (2021-05-09)

  • 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

0.6.2 (2021-04-18)

  • 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)

0.6.1 (2021-04-16)

  • PR#49 Add min_diff argument to transformations.center_membrane
  • PR#48 Add MDAnalysis badge to README and fix typos in the docs
  • PR#47 Fixed typos in docs

0.6.0 (2021-03-26)

  • 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

0.5.0 (2021-03-16)

  • 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).

0.4.0 (2021-03-05)

  • 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

0.3.2 (2021-02-27)

  • Fix typo in requirements

0.3.1 (2021-02-27)

  • Add support for numpy 1.20

0.3.0 (2021-02-26)

  • Fix neighbour calculation for non-sequential residue indices Fixes #11
  • Added a tool to calculate interleaflet registration

0.2.0 (2021-02-23)

  • Improved documentation
  • Add method to count number of each neighbour type
  • Add functionality to find neighbouring lipids

0.1.0 (2021-02-17)

  • Add functionality to find flip-flop events in bilayers
  • Add functionality to calculate area per lipid
  • Add functionality to find assign lipids to leaflets in a bilayer

0.0.0 (2021-02-08)

  • First release on PyPI.