uclchem / UCLCHEM

UCLCHEM - A gas-grain chemical code for Astrochemistry.
MIT License
29 stars 15 forks source link

Makerates Auxiliary Scripts Improvement #12

Closed jonholdship closed 2 years ago

jonholdship commented 4 years ago

We have several scripts (comparenetworks.py, comparespecies.py and speciesnetwork.py) that help analyze reaction networks and check for differences between networks. They're fairly basic and could do with updating.

Comparenetworks.py should read two reaction networks (either reactions.csv output of makerates or any valid input file) and print out all reactions that are only in one network or have different rate coefficients between networks.

Comparespecies.py might not be useful, it just lists differences between two lists of species.

Speciesnetwork.py should list all formation and destruction routes for a single species.

Contributor should make these more robust and user-friendly, add missing functionality (comparenetworks does not currently check coefficients) and consider whether other scripts would be useful.