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  1. '''
  2. Created on Aug 20, 2012
  3.  
  4. @author: esben
  5. '''
  6.  
  7. from ScanInfo import ScanInfo
  8.  
  9. if __name__ == '__main__':
  10.  
  11.    
  12.     # Read .in python file
  13.    
  14.     f = open("../data/testing.in", "r")
  15.     line = f.readline()
  16.     lcoord = 0 # no. of locked distances
  17.     locked = []
  18.     scans = []
  19.    
  20.     while line != "":
  21.  
  22.         if "&zvar" in line:
  23.             print "zvar section found, noting coordinates to scan"
  24.             line = f.readline()
  25.             while not "&" in line:
  26.                 scans.append(line.split()[0])
  27.                 line = f.readline()
  28.         line = f.readline()
  29.        
  30.         if "&coord" in line:
  31.             print "coord section found"
  32.             # count lines in coord section
  33.             line = f.readline()
  34.             while not "&" in line:
  35.  
  36.                 lcoord += 1
  37.                 line = f.readline()
  38.    
  39.         info = ScanInfo()
  40.         info.attatchInfo("hej")
  41.         info.printInfo()
  42.    
  43.     # Determine what atoms and and what length/no. of scans must be performed in the &coord section
  44.    
  45.     # Initialize array of length combinations that must be scanned
  46.    
  47.     '''
  48.    Start loop that checks availability of run jaguar jobs.
  49.    If the input argument file to RecursiveJagScan is a 01.in file
  50.    the first event is to generate structure one "scan" within
  51.    distance.    
  52.    '''
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