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siminegroup / E2EDNA2

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Issues in Running Automated test because of these commented lines, #21

Closed Owaiskhan9654 closed 1 year ago

Owaiskhan9654 commented 1 year ago

https://github.com/siminegroup/E2EDNA2/blob/e1ff77022be647d6946cbe5c3298b356a0f22904/main.py#L120 After removing run_num from the executing commands it shows KeyError: 'run_num' Please see the screenshot attached. @taoliu032 @InfluenceFunctional image

taoliu032 commented 1 year ago

Yes, you caught the change -- I commented out the run_num part in argparse so that in the yaml configuration file, run_num can be either integer or a string. Consequently, the run directory can be either "run1" or "run1_for_ATP_system"

taoliu032 commented 1 year ago

I will update the automated tests -- they are outdated since I have made many modifications since we published the JOSS paper

taoliu032 commented 1 year ago

I have update the code by PR #22 so that run_num can be used in command line as well. Feel free to re-open this issue if you run into other problems with the tests. Thanks!