compareResults.py

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#!/usr/bin/env python3
 
 
import math, sys
 
 
 
def combineFiles(name1, name2, name3):
 
  # Add results from file
  def addFile(name):
    tf = open(name)
    for line in iter(tf):
      if line[0] == '*' or line[0] == '!':
        continue
      fields = line.split()
      if len(fields) < 3:
        continue
      if fields[0].isalpha():
        continue  
      label = int(fields[0])
      value = float(fields[1])
      if label not in results:
        results[label] = []
      results[label].append(value)
    tf.close()    
    
  results = {}
  print(' comparing MP2 results files')
  # read first file
  print(' input file1        ', name1)
  addFile(name1)
  # read second file
  print(' input file2        ', name2)
  addFile(name2)
 
  # write output file, correlate
  sn = sx = sy = sxx = sxy = syy = 0.
  fout = open(name3, 'w')
  fout.write("label/I:value_1/F:value_2/F\n")  # ROOT tree header
  for l in sorted(results.keys()):
    r = results[l]
    if len(r) == 2:
      # matched label
      if r[0] != 0. or r[1] != 0.:
        fout.write("%10d %12.5g %12.5g \n" % (l, r[0], r[1]))
        sn += 1.; sx += r[0]; sy += r[1]; sxx += r[0] * r[0]; sxy += r[0] * r[1]; syy += r[1] * r[1]
    elif len(r) == 1: 
      # unmatched label
      if r[0] != 0.:
        fout.write("%10d %12.5g %12.5g \n" % (-l, r[0], r[0]))
      print(' unmatched ', l)
  fout.close()
  
  print(' output file        ', name3)
  print(' total parameters   ', len(results))
  matched = int(sn)
  if (matched <= 0): 
    return 
  
  #comparision
  print(' matched parameters ', matched)
  sx /= sn; sy /= sn
  print(' mean1, mean2       ', sx, sy)
  sxx /= sn; syy /= sn
  print(' rms1, rms2         ', math.sqrt(sxx - sx * sx), math.sqrt(syy - sy * sy))
  sxy /= sn
  print(' correlation        ', (sxy - sx * sy) / (math.sqrt(sxx - sx * sx) * math.sqrt(syy - sy * sy)))
 
          
if __name__ == '__main__':
  # input files
  fileNameIn1 = "millepede.res1"
  fileNameIn2 = "millepede.res2"
  # output file
  fileNameOut = "mp2compare.txt"
  # ## use command line arguments ?
  narg = len(sys.argv)
  if narg > 1:
    if narg < 3:
      print(" usage: compareResults.py <input file name1>  <input file name2> [<output file name>]")
      sys.exit(2)
    else:
      fileNameIn1 = sys.argv[1]
      fileNameIn2 = sys.argv[2]
      if narg > 3:
        fileNameOut = sys.argv[3]
 
  # combine input files 1 and 2 into output file
  combineFiles(fileNameIn1, fileNameIn2, fileNameOut)