Python3 Script check #1840
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Python3 Script check #1840
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travis-ci/push failed on the following: This does not seem to be related to any of my code changes, and I'm not sure what's causing this |
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I found the related issue: #1682 It seems like we never figured out the root cause, but it went away on its own in each case. |
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Codecov Report
@@ Coverage Diff @@
## master #1840 +/- ##
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Coverage 44.2% 44.2%
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Files 83 83
Lines 21533 21533
Branches 5645 5645
======================================
Hits 9519 9519
+ Misses 10961 10947 -14
- Partials 1053 1067 +14
Continue to review full report at Codecov.
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I force-pushed this again after rebasing to official/master and got the same error as before with travis-ci/push |
Reduction example folder is deleted because /rmgpy/reduction/main.py no longer exists. convertFAME.py is also deleted because it is no longer used
All the examples related to scripts are moved under a new folder example/scripts. Each bash scripts are changed appropriately to have correct relative paths for each script file. Also, for the examples file that were throwing error, I made somes changes to make them work: 1. generateReactions - This example was origianlly throwing error because surface chemistry was included in the kinetic_family in the input file. The kinetic family is changed to 'default', so it no longer throws error 2. simulate/withoutSensitivity - This example had minor error with default temperature range in chem.inp file. The temperature range in chem.inp file is changed appropriately. 3. thermoEstimator - input.py (run.sh) example had QM on in input file when it was not supposed to. The QM thermoEstimator has its own example (input_QM.py). The quantumMechanics portion in the input.py is deleted.
An example for scripts/generateChemkimHTML.py is added
An example for scripts/mergeModels.py is added. The run.sh file contains two examples: merging 2 models and merging 3 models.
An example for scripts/generateFluxDiagram.py is added
An exmaple for scripts/standardizeModelSpeceisNames.py is added
A few more lines are added in the description
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This was referenced Dec 13, 2019
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Motivation or Problem
I tested all externally-used scripts in python 3 version RMG. This is related to the issue #1726.
thermoEstimator.pyinexamples/scripts/thermoEstimator/run_QM.shbecause I don't have the mopac license. Since it only throws an error that I don't have the mopac license, I don't expectthermoEstimator.pyto have any error.The internally-used scripts like
generateTree.py,machineWriteDatabase.py, andrmg2to3.pyare not checked in this test.Description of Changes
isotopes.pydoes not have an example because running this example takes too much time. This script seems to run fine when I checked it.convertFAME.pyis deleted because it is no longer used.reductionexample folder is deleted because it uses the script that is no longer available.examples/scripts.Testing
I ran all the script example bash scripts and everything ran successfully.
Reviewer Tips
You can run bash scripts in
examples/scriptsto check that everything works fine