#!/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 = 'SCF energy :',
      to_string   = 'Total MP2 energy :',
      rel_tolerance   = 1.0e-7)

test.run(['scf.inp'], ['f2.xyz'], f, args='--get="AOMOMAT X2CMAT" --outcmo')


f = Filter()
f.add(from_string = 'SCF energy :',
      to_string   = 'Total MP2 energy :',
      rel_tolerance   = 1.0e-7)

test.run(['res.inp'], ['f2.xyz'], f, args='--put="AOMOMAT X2CMAT"  --incmo')

os.unlink('X2CMAT')
os.unlink('AOMOMAT')

sys.exit(test.return_code)
