#!/usr/bin/python3
#   resultsFile is a library which allows to read output files of quantum 
#   chemistry codes and write input files.
#   Copyright (C) 2007 Anthony SCEMAMA 
#
#   This program is free software; you can redistribute it and/or modify
#   it under the terms of the GNU General Public License as published by
#   the Free Software Foundation; either version 2 of the License, or
#   (at your option) any later version.
#
#   This program is distributed in the hope that it will be useful,
#   but WITHOUT ANY WARRANTY; without even the implied warranty of
#   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#   GNU General Public License for more details.
#
#   You should have received a copy of the GNU General Public License along
#   with this program; if not, write to the Free Software Foundation, Inc.,
#   51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
#
#   Anthony Scemama
#   LCPQ - IRSAMC        
#   Universite Paul Sabatier
#   118, route de Narbonne      
#   31062 Toulouse Cedex 4      
#   scemama@irsamc.ups-tlse.fr 



import resultsFile
import sys

# Find fileType

def getFile(name):
 MyList = resultsFile.fileTypes+[None]
 for fileType in MyList:
   try:
     file = fileType(name)
     n = file.num_elec
     if n is None or n <=0 or not isinstance(n,int):
       raise TypeError
     break
   except:
     pass

 if fileType is None:
   print("File type not recognized.")
   sys.exit(1)

 return file

if __name__=='__main__':
  getFile(sys.argv[1])