Add console script for run_cddd.py #1
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This means that the script `$ python run_cddd.py` can be called from anywhere using just `$ cddd` regardless of where you are after the module has been pip installed. Note: will require one more commit to put all of the main functionality in one function though! I'm editing from the GitHub web interface so I can only do one file at a time :)
- changed usage of `python run_cddd.py` to use entry point - Added code highlighting
cthoyt
commented
Nov 27, 2018
| ``` | ||
| run_cddd.py --input smiles.smi --output descriptors.csv --smiles_header smiles | ||
| ```bash | ||
| cddd --input smiles.smi --output descriptors.csv --smiles_header smiles |
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Here's the new way for calling the python script. It now works sort of like any other command in the console.
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Looks good. I will merge. Thanks! |
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This PR gives
setuptoolsextra information so it knows how to turncddd/run_cddd.pyinto a command line script that can be run from any working directory without explicitly writing the path to the python script using theentry_pointsoption and the magicalconsole_scriptskey.The entry in the list
'cddd = cddd.run_cddd:main_wrapper'means that a script calledcdddwill be installed and it will run the function found in thecddd.run_cdddcalledmain_wrapperas the__main__. Since the code that did the work was already living inside theif __name__ == '__main__':construct, I excised it and put it inside a new function calledmain_wrapperand called that fromif __name__ == '__main__':. This way, everything will continue to work as before, as well.Finally, I updated the readme to reflect this change (and also added a bit of code highlighting, while I was editing it)