UCLCHEM 3.2 consists of a refactoring Makerates and moving it into the Python source.
Moved makerates code into the python source
This allows one to interact with the Network, Reaction and Species code directly.
Improved handling of representation of classes
The repr and str methods that are added to the Species, Reactions and Network are better suited for manipulation with Python
Replaced print statements in Makerates with the logging module
Refactored the inner working of makerates
Everything is now more object oriented with getter and setter methods for many parameters. This allows for adding many checks.
Added parser to accept verbosity and settings path for Makerates.py
Now one can specify which configuration file to use by specifying the path to it. The default stays user_settings.yaml
Two reactions are added to be consistent with the freezeouts.
HEH+ and H3+ were freezing out to #HEH and #H3 which was not correct per se, so two reactions are added to make them freeze out to more sensible constituents:
UCLCHEM 3.2 consists of a refactoring Makerates and moving it into the Python source.
Makerates.pyNow one can specify which configuration file to use by specifying the path to it. The default staysuser_settings.yaml