cschlaffner / PROTzilla2

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Better automatic steps and improved file names #486

Closed henninggaertner closed 1 month ago

henninggaertner commented 1 month ago

Description

fixes #485 Now the instance names are just the step name and a counting integer. Also, the instance identifier of the steps has now been incorporated into the file names resulting from the disk operator. Also added the df_mode to now be written to the run.yaml file.

Changes

The stepfactory and steps.py file have been adjusted, and the parameters passed to the StepFactory.create() function respectively

Testing

To test: Add a step and check that the name is correct Change the method and check whether the name is correct (obviously while a step of that type is already in the workflow, and also when it is a new step). Calculate and plot stuff, and check whether the dataframes and plots a) are written to the disk b) will be read on restarting protzilla and continueing the workflow

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Mergeability

Code review