WIP: Cleanup chemkin module #215
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…space From PEP 8 [1]: Wildcard imports (from <module> import *) should be avoided, as they make it unclear which names are present in the namespace, confusing both readers and many automated tools. There is one defensible use case for a wildcard import, which is to republish an internal interface as part of a public API (for example, overwriting a pure Python implementation of an interface with the definitions from an optional accelerator module and exactly which definitions will be overwritten isn't known in advance). I use a leading underscore in the name to avoid conflicts with local 'kinetics' variables, and because the imported module is a private member of chemkin. We don't want folks using: from rmgpy.chemkin import kinetics [1]: http://legacy.python.org/dev/peps/pep-0008/#imports
Split it into _readKineticsReaction (for the first line) and _readKineticsLine (for subsequent lines). This makes reading readKineticsEntry easier by limiting the scope of local variables and allowing you to focus on the higher-level logic without line-level distraction. I left as many lines unchanged as possible, excepting some reworking to handle state during the _readKineticsLine loop. Instead of maintaining a handful of per-model variables and using 'None' to detect which have been set, I've used a single 'kinetics' dict and use key presence to detect which have been set. The allows subsequent lines to clobber kinetics entries from previous lines (e.g. shifting 'arrhenius high' to 'arrhenius low') without having to pass around a bunch of None variables.
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Hard to blame you for a few bugs: coverage reports that our unit tests check a whopping 3% of that code! :) |
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I'm pushing this as a heads-up that I'm churning this section of code
(let me know if someone else is working here, and I'll wait until
they're done). Don't merge it yet ;).
While reviewing #213 I noticed a wildcard import (from … import *),
and thought I'd take a moment to clean it up. However, my first pass
at that (through chemkin.py) turned up a number of large, complicated
functions that could use some refactoring. This series is my attempt
to polish up the Python in chemkin without breaking any of the logic
that I don't particularly understand ;). I'll push periodically so
Travis can see if I broke anything, while I try to split this logic
into easily-digestible bites.