#!/usr/bin/env python

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dirac import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()
f.add(from_string = 'Electronic energy',
      num_lines   = 8,
      rel_tolerance   = 1.0e-9)
f.add(from_string = '(cartesian axes components):',
      to_string   = '1 a.u. = 234.96474170 MHz',
      rel_tolerance   = 1.0e-6)

test.run(['dhf.inp'],     ['H2O.dyall.cv2z.mol'], f)

sys.exit(test.return_code)
