#!/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 = '* Dipole moment:',
      num_lines   = 6,
      rel_tolerance   = 1.0e-6)
f.add(from_string = 'TOTAL ENERGY',
      to_re       = 'Eigenvalues',
      rel_tolerance   = 1.0e-5)

test.run(['fde_nr_pbe_update.inp'],        ['h2o.mol'], f, args='--put="FRZDNS" ')
test.run(['fde_ll_pbe_update.inp'],        ['h2o.mol'], f, args='--put="FRZDNS" ')
test.run(['fde_x2c-sf_pbe_update.inp'],    ['h2o.mol'], f, args='--put="FRZDNS" ')
test.run(['fde_sfdc_pbe_update.inp'],      ['h2o.mol'], f, args='--put="FRZDNS" ')
test.run(['fde_x2c_pbe_update.inp'],       ['h2o.mol'], f, args='--put="FRZDNS" ')
test.run(['fde_dc_pbe_update.inp'],        ['h2o.mol'], f, args='--put="FRZDNS" ')

sys.exit(test.return_code)
