1.1.1

What's Changed

• Docs cleanup by @mmattano in #17
• GUI vs INCAWrapper validation by @viktorht in #18
• Introduction of an experimental INCASimulation object by @viktorht

Full Changelog: 1.1.0...1.1.1

Revision 1 release

The changes in this release are based on development after the first review round of the associated academic journal manuscript. The major changes are:

What's Changed

• Atom mapping functionality has been removed.
  • After a failed attempt to revalidate the atom mapping functionality for edge cases, we decided to remove this part from the released package.
  • The code can still be found in the branch "atommapping" and may be included in future releases if the issues are resolved.
• Additional validation of the INCAWrapper core function functionality (flux estimation)
  • The validation is carried out as a case study using a simulated steady state parallel labelling experiment using a model of C. necator with 59 reactions.
• Elaborated description of how to control the setting/options in INCA
  • This includes how to use INCA for natural abundance correction
• Finally, a small bug-fix in the parsing of simulated data from INCA

First version :D

What's Changed

• Docs by @mmattano in #1
• Atommapping by @mmattano in #2
• Develop by @mmattano in #3
• Simulated INST tutorial and small fixes by @viktorht in #4
• INST tutorial with simulated data by @viktorht in #5

New Contributors

• @mmattano made their first contribution in #1
• @viktorht made their first contribution in #4

Full Changelog: https://github.com/biosustain/incawrapper/commits/1.0.1