[Tutor] Pass arguments from bash script to embedded python script
Stephen P. Molnar
s.molnar at sbcglobal.net
Mon Oct 21 09:45:14 EDT 2019
First of all, let me emphasize that this is not a homework assignment.
I have a large number of data files form a Quantum Chemistry program
which all have the same format.
I have written a short python script to extract the data required for
another program.
> #!/usr/bin/env python3
> # -*- coding: utf-8 -*-
> """
>
> Created on Tue Sep 24 07:51:11 2019
>
> """""
> import numpy as np
>
> data = np.genfromtxt(fname, usecols=(1), skip_header=27,
> skip_footer=1, encoding=None)
>
> print(data)
>
> np.savetxt('fname.dG', data, fmt='%.10g', header='fname1')
> print(data)
and I have a bash script in which I have embedded the python script:
> #!/bin/bash
>
> # Run.dG.list_1
>
> while IFS= read -r d
> do
> python3 DeltaGTable_V_sw.py
> done <ligand.list
The ligand.list for the bash file have the format:
>
>> fname = ['C-VX3.log', '15-7.log', '14-7.log']
>> fname1 = ['C-VX3', '15-7', '14-7'
where fname and fname1 are three typical data files.
my problem is how do I pass the argument's in the two files from the
bash script to the python script? It has been suggested to me that the
solution is an implementation of the sys/.argv function but it seems
that every reference that I can find goes the other way from python to bash.
So my question is what question should I be goggling? I am not looking
for someone to write the script for me, but pointers in the correct
direction.
Thanks in advance.
--
Stephen P. Molnar, Ph.D.
www.molecular-modeling.net
614.312.7528 (c)
Skype: smolnar1
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