Description
MSAC v0.1.1 includes functions for Python API calls that do not require command line execution. These commands are not integrated into the CLI and the normal pipeline for running MSAC remains unaffected.
Some other minor changes include: documentation updates, PyPI availability, and replacing the electron mass constant with molmass.elements.ELECTRON.mass.
Changelog
- build,chore: untrack files via gitignore. uptick version - 3ba84a5
- fix: use call, not subscript - 668cc3f)
- feat,docs,build: create single-molecule MSAC API. update build,uptick version - dd87a18
- build: include package data - 790edd4
- docs: remove direct install instructions - e18e088
- docs: update README instructions - 00c7bf7
- replaced setup.py with poetry pyproject.toml - c03f8f4
- Merge pull request - acd1f03 / PR #7
- Merge pull request - 6dceba0 / PR #6
- docs: update README instructions - ff54813
- feat: enable single adduct calculations (no table input required) - d585ea7
Contributors
Contributors
hechth and christinehc