#!/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 = '<<<  End of Minimization <<<',
      to_string   = '-------------------------------------------------------',
      ignore_below = 5.0e-9,
      rel_tolerance   = 1.0e-3)
f.add(from_string = 'Energy at final geometry is',
      num_lines   = 3,
      rel_tolerance   = 1.0e-4)

test.run(['acetone.inp'], ['acetone.mol'], f)
test.run(['HeH+.inp'], ['HeH+.mol'], f)
test.run(['HCCF.x2c_zdipf.scf_mp2_geopt.inp'], ['HCCF.sto-2g.mol'], f)
test.run(['1.3.5_trisilacyclohexane.inp'], ['1.3.5_trisilacyclohexane.mol'], f)
test.run(['HeH+.geomopt.x2c.scf_cc.inp'], ['HeH+.sto-2g.mol'], f)

sys.exit(test.return_code)
