#!/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_re     = 'PARITY-VIOLATION CONTRIBUTION TO',
      to_string   = 'E N D   of   D I R A C  output',
      rel_tolerance   = 1.0e-3)

test.run(['shielding_dc.inp', 'shielding_nr.inp', 'spinspin_dc.inp', 'spinspin_nr.inp'], ['H2O2.mol'], f)

sys.exit(test.return_code)
