First release: renaming of `chromatopy` to `chromhandler`
Summary
Due to the chromatopy name already being taken on PyPI prior to release, the library has been renamed to chromhandler.
In addition to the renaming, this PR introduces several improvements:
- Renamed
ChromAnalyzertoHandlerfor clarity and consistency - Improved reporting for molecule assignments
- Added
assign_all_molecules()to batch-assign molecules to peaks and reduce verbose output - Included comprehensive unit tests
- Updated documentation to reflect all changes
What's Changed
- Develop by @haeussma in #1
- 3 calculation calculation by calipytion by @haeussma in #8
- updated sdrdm version by @haeussma in #9
- Major refactor for first stable release by @haeussma in #10
- 12 refactor reader for asm gc data by @haeussma in #17
- Calibraton timecourse unity by @haeussma in #19
- Add agilent rdl by @haeussma in #20
- Add thermo
.TX0reader method by @haeussma in #21 - Enhance protein molecule flow by @haeussma in #23
- Add generic csv reader by @haeussma in #24
- Fix file ordering by @haeussma in #25
- Fix retention tolerance propagation by @haeussma in #26
- Fix dilution by @haeussma in #27
- added mass based concentration units by @haeussma in #28
- Add proteins to measurementdata by @haeussma in #29
- Add proteins to measurementdata by @haeussma in #30
- Fix edit page by @haeussma in #31
- Fix to enzymeml protein time issue by @haeussma in #32
- Update docs by @haeussma in #33
- String units by @haeussma in #34
- Update version to 0.9.19 and refactor unit handling to use string rep… by @haeussma in #35
- Adjust fit range by @haeussma in #36
- fix faulty check of
Molecule.standardduring enzymeml mapping by @haeussma in #37 - Added feature to define
min_signalto exclude peaks with too low signal from being assigned to a molecule by @haeussma in #38 - Add protein io by @haeussma in #39
- Rename
chromatopytochromhandlerby @haeussma in #40
Full Changelog: https://github.com/FAIRChemistry/Chromhandler/commits/v0.10.0