The yaml_writer_addition branch no longer correctly adds reaction species to the Cantera yaml output file. Species block is always a list of nulls. This issue originated during a rebase of the branch.
Description of Changes
changes to rmgpy/cantera_.py:
species_to_dict() method updated to correctly use the parameter obj as the RMG species object.
Testing
Tested on minimal example and minimal_surface example (minimal_surface errors unless commit feb70e2 is reverted/fixed)
Reviewer Tips
Comment out the temporary "raise exception" calls in to_cantera_kinetics() to test on any example that requires this method.
Yes, I agree the variable names are confusing. All of the function parameters are unused besides obj, so I would think they could be removed and obj renamed to species?
Motivation or Problem
The yaml_writer_addition branch no longer correctly adds reaction species to the Cantera yaml output file. Species block is always a list of nulls. This issue originated during a rebase of the branch.
Description of Changes
rmgpy/cantera_.py
:species_to_dict()
method updated to correctly use the parameterobj
as the RMG species object.Testing
Tested on minimal example and minimal_surface example (minimal_surface errors unless commit feb70e2 is reverted/fixed)
Reviewer Tips
Comment out the temporary "raise exception" calls in
to_cantera_kinetics()
to test on any example that requires this method.