PyEnzyme 1.1.3 - Githubissues

JR-1991 commented 2 years ago

In the course of the upcoming "EnzymeML at work" manuscript, the PyEnzyme library has been extended and revisited to enhance functionalities. In addition, the syntax has been improved towards a more pythonic way that aligns well to common standards.

Important changes:

Thin Layers have been generalized and are built from a Base Thin Layer
Syntax has been changed to fit python standards
Measurement and experimental data management has been improved
Export relevant data to Pandas DataFrames
Direct visualization either static or interactively
JSON export and import
Improved data validation and creation of validation YAML files
Documentation has been added
Comprehensive testing suite to check on functionality

This change is

fbergmann commented 2 years ago

PR's with this many commits and changes, are really hard to review, if not impossible. Luckily we have tests though. Since you mention visualization, i would add that to the example notebook (or do a separate example notebook for readthedocs). Also validation would be good to demonstrate.

fbergmann commented 2 years ago

Before merge, we definitely need #32 solved. Even the simple fix of always writing the log as utf-8 will be fine.

EnzymeML / PyEnzyme

PyEnzyme 1.1.3 #30