68 lines
1.7 KiB
Python
68 lines
1.7 KiB
Python
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#!/usr/bin/env python
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import os,sys,re
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try:
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inName = sys.argv[1]
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outName = os.path.splitext(inName)[0]+'.linearODF'
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nPhi1,nPHI,nPhi2 = map(int,sys.argv[2:5])
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except:
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print "\nusage:",sys.argv[0],"file nPhi1 nPHI nPhi2\n"
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sys.exit(1)
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N = (nPhi1-1)*(nPHI-1)*(nPhi2-1)
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try:
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inFile = open(inName,'r')
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content = inFile.readlines()
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except:
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print 'unable to read:',inName
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sys.exit(1)
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try:
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outFile = open(outName,'w')
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except:
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print 'unable to write:',outName
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sys.exit(1)
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ODF = [[[[None] for k in range(nPhi2)] for j in range(nPHI)] for i in range(nPhi1)]
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linear = [None]*N
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line = 0
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while (content[line].startswith('#')): # skip comments at start of file
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line += 1
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for iPhi1 in range(nPhi1):
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for iPHI in range(nPHI):
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for iPhi2 in range(nPhi2):
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words = content[line].split()
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ODF[iPhi1][iPHI][iPhi2] = float(words[3]) # extract intensity (in column 4)
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line += 1
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for iPhi1 in range(nPhi1-1):
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for iPHI in range(nPHI-1):
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for iPhi2 in range(nPhi2-1):
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linear[iPhi1*(nPHI-1)*(nPhi2-1)+iPHI*(nPhi2-1)+iPhi2] = (\
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ODF[iPhi1 ][iPHI ][iPhi2 ] + \
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ODF[iPhi1 ][iPHI ][iPhi2+1] + \
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ODF[iPhi1 ][iPHI+1][iPhi2 ] + \
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ODF[iPhi1 ][iPHI+1][iPhi2+1] + \
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ODF[iPhi1+1][iPHI ][iPhi2 ] + \
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ODF[iPhi1+1][iPHI ][iPhi2+1] + \
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ODF[iPhi1+1][iPHI+1][iPhi2 ] + \
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ODF[iPhi1+1][iPHI+1][iPhi2+1] \
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) / 8.0
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inFile.close()
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outFile.write('rangePhi1?\trangePHI?\trangePhi2?\n')
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outFile.write('%i\t%i\t%i needs to be converted to angular steps\n'%(nPhi1-1,nPHI-1,nPhi2-1))
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outFile.write('cell-centered data\n')
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outFile.write('\n')
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for i in range(N):
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outFile.write('%g\n'%(linear[i]))
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outFile.close()
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