# Source code for p4util.optproc

    #
    #@BEGIN LICENSE
    #
    # PSI4: an ab initio quantum chemistry software package
    #
    # This program is free software; you can redistribute it and/or modify
    # it under the terms of the GNU General Public License as published by
    # the Free Software Foundation; either version 2 of the License, or
    # (at your option) any later version.
    #
    # This program is distributed in the hope that it will be useful,
    # but WITHOUT ANY WARRANTY; without even the implied warranty of
    # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    # GNU General Public License for more details.
    #
    # You should have received a copy of the GNU General Public License along
    # with this program; if not, write to the Free Software Foundation, Inc.,
    # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
    #
    #@END LICENSE
    #

    r"""Module to provide mechanism to store and restore option states in driver.

    """
    import sys
    #CUimport psi4
    from p4xcpt import * #CU

    class OptionState(object):
        """Class to store the state of a single *option*. If *module* given, the *option*
        value and has_changed value is stored for global, local to *module*, and used by
        *module* scopes; otherwise (used for BASIS keywords), only global scope is stored.
        Class can store, print, and restore option values. ::

            >>> OptionState('SCF_TYPE', 'SCF')

            >>> print(OptionState('DF_BASIS_MP2'))

        """
        def __init__(self, option, module=None):
            self.option = option.upper()
            if module:
                self.module = module.upper()
            else:
                self.module = None

            self.value_global = psi4.get_global_option(option)
            self.haschanged_global = psi4.has_global_option_changed(option)
            if self.module:
                self.value_local = psi4.get_local_option(self.module, option)
                self.haschanged_local = psi4.has_local_option_changed(self.module, option)
                self.value_used = psi4.get_option(self.module, option)
                self.haschanged_used = psi4.has_option_changed(self.module, option)
            else:
                self.value_local = None
                self.haschanged_local = None
                self.value_used = None
                self.haschanged_used = None

        def __str__(self):
            text = ''
            if self.module:
                text += """  ==> %s Option in Module %s <==\n\n""" % (self.option, self.module)
                text += """  Global (has changed?) value: %7s %s\n""" % ('(' + str(self.haschanged_global) + ')', self.value_global)
                text += """  Local (has changed?) value:  %7s %s\n""" % ('(' + str(self.haschanged_local) + ')', self.value_local)
                text += """  Used (has changed?) value:   %7s %s\n""" % ('(' + str(self.haschanged_used) + ')', self.value_used)
            else:
                text += """  ==> %s Option in Global Scope <==\n\n""" % (self.option)
                text += """  Global (has changed?) value: %7s %s\n""" % ('(' + str(self.haschanged_global) + ')', self.value_global)
            text += """\n"""
            return text

        def restore(self):
            psi4.set_global_option(self.option, self.value_global)
            if not self.haschanged_global:
                psi4.revoke_global_option_changed(self.option)
            if self.module:
                psi4.set_local_option(self.module, self.option, self.value_local)
                if not self.haschanged_local:
                    psi4.revoke_local_option_changed(self.module, self.option)

    class OptionsState(object):
        """Class to contain multiple :py:func:`~optproc.OptionsState` objects.
        Used in python driver functions to collect several options before altering
        them, then restoring before function return. ::

            >>> optstash = OptionsState(
                    ['SCF', 'DFT_FUNCTIONAL'],
                    ['DF_BASIS_SCF'],
                    ['SCF', 'SCF_TYPE'],
                    ['SCF', 'REFERENCE'])

            >>> print(optstash)

            >>> optstash.restore()

        """
        def __init__(self, *largs):
            self.data = []
            for item in largs:
                if len(item) == 2:
                    self.data.append(OptionState(item[1], item[0]))
                elif len(item) == 1:
                    self.data.append(OptionState(item[0]))
                else:
                    raise ValidationError('Each argument to OptionsState should be an array, the first element of which is     the module scope and the second element of which is the module name. Bad argument: %s' % (item))

        def __str__(self):
            text = ''
            for item in self.data:
                text += str(item)
            return text

        def restore(self):
            for item in self.data:
                item.restore()