# This file is part of cclib (http://cclib.sf.net), a library for parsing
# and interpreting the results of computational chemistry packages.
#
# Copyright (C) 2007, the cclib development team
#
# The library is free software, distributed under the terms of
# the GNU Lesser General Public version 2.1 or later. You should have
# received a copy of the license along with cclib. You can also access
# the full license online at http://www.gnu.org/copyleft/lgpl.html.

__revision__ = "$Revision: 1011 $"

import numpy

from cclib.parser.utils import PeriodicTable
import bettertest


class GenericCoreTest(bettertest.TestCase):
    """Core electrons unittest."""

    def testcorrect(self):
        """Is coreelectrons equal to what it should be?"""
        pt = PeriodicTable()
        ans = []
        for x in self.data.atomnos:
            ans.append(self.coredict[pt.element[x]])
        ans = numpy.array(ans, "i")
        self.assertArrayEquals(self.data.coreelectrons, ans)


class ADFCoreTest(GenericCoreTest):
    """ADF core electrons unittest."""

    coredict = {'Mo': 28, 'O':0, 'Cl':0}


class GAMESSUKCoreTest(GenericCoreTest):
    """GAMESS-UK core electrons unittest."""

    coredict = {'Mo': 28, 'O':0, 'Cl':10}


class GAMESSUSCoreTest(GenericCoreTest):
    """GAMESS-US core electrons unittest."""

    old_tests = ["GAMESS/GAMESS-US/C_bigbasis_2006.02.22.r3.out.gz"]

    coredict = {'Mo': 28, 'O':0, 'Cl':10}


class GaussianCoreTest(GenericCoreTest):
    """Gaussian core electrons unittest."""

    coredict = {'Mo': 28, 'O':0, 'Cl':10}

           
if __name__=="__main__":

    from testall import testall
    testall(modules=["Core"])