mirror of https://github.com/QMCPACK/qmcpack.git
41 lines
1.2 KiB
Python
41 lines
1.2 KiB
Python
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#!/bin/env python
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#
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# This is a script to generate a series of input files from a template
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# and a table of variable values. The template file can have any number
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# of variables of the for ${varname} for replacement. The data file
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# should then have the following structure:
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# filename V id lattice
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# file40.xml 40 0 5.31414
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# file45.xml 45 1 5.52312
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# ...
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# This script will then generate file40.xml, file50.xml, ..., replacing
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# all instances of ${V}, ${id}, and ${lattice} in the files with the
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# value specified for each file.
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import sys
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if (len(sys.argv) < 3) :
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print "Usage: generate.py template.txt data.dat"
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tempfile = open(sys.argv[1], 'r')
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template = tempfile.read()
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tempfile.close()
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data = open(sys.argv[2], 'r')
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varlist = data.readline().split()[1::]
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for line in data:
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fname = line.split()[0]
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args = line.split()[1::]
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vardict = {}
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for i in range(0,len(varlist)):
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vardict['${'+varlist[i]+'}'] = args[i]
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tempcopy = template.replace('a', 'a')
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for key in vardict.keys():
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tempcopy = tempcopy.replace(key, vardict[key])
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newfile = open(fname, 'w')
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newfile.write(tempcopy)
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newfile.close()
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