Package nMOLDYN :: Package Tests :: Package MSD :: Module runTests
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Source Code for Module nMOLDYN.Tests.MSD.runTests

 1  import os 
 2  import sys 
 3  sys.path.insert(0, '/home/cs/pellegrini/nMOLDYN/development') 
 4  from nMOLDYN.Core.IOFiles import convertASCIIToNetCDF 
 5   
 6  pMoldyn='/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn' 
 7   
 8  if len(sys.argv) > 1: 
 9      selectedTests = [int(v) for v in sys.argv[1:]] 
10  else: 
11      selectedTests = range(1,15) 
12   
13  for i in selectedTests: 
14      print "Run test ", i 
15      os.system(pMoldyn + ' --msd --input=MSD%s_Reference.inp' % i) 
16      os.system('mv test.plot MSD%s_Reference.plot' % i) 
17      convertASCIIToNetCDF('MSD%s_Reference.plot' % i, 'MSD%s_Reference.nc' % i) 
18