import re
splitExpr = re.compile('[\t\ ]')

from Chem import rdmol

def runit(fName):
  inLines = open(fName,'r').readlines()
  nFailed = 0
  nPassed = 0
  nTried = 0
  for line in inLines:
    if len(line):
      smi = splitExpr.split(line)[1]
      if smi[-1] == '\n': smi = smi[:-1]
      if smi[-1] == '\r': smi = smi[:-1]
      nTried += 1
      try:
        m = rdmol.MolFromSmiles(smi)
        nPassed += 1
      except:
        print '\t%s failed'%repr(smi)
        print '\tline: %s'%(repr(line))
        nFailed += 1
      m = None  
  print '%d of %d passed'%(nPassed,nTried)

if __name__ == '__main__':
  import sys
  fName = 'ntp_smiles.txt'
  if len(sys.argv) > 1:
    fName = sys.argv[1]

  runit(fName)