#!/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 = 'g values (x, y, z, iso)',
      num_lines = 3,
      rel_tolerance = 1.0e-5)
f.add(from_string = 'g shifts in ppm (x, y, z, iso)',
      num_lines = 3,
      rel_tolerance = 1.0e-4)

test.run(['esr.inp','esr_mp2.inp','esr_mvo.inp'], ['CN.mol'], f, args='--mw=80 --aw=120')

sys.exit(test.return_code)
