Source code for httk.atomistic.results.totalenergyresult

# 
#    The high-throughput toolkit (httk)
#    Copyright (C) 2012-2015 Rickard Armiento
#
#    This program is free software: you can redistribute it and/or modify
#    it under the terms of the GNU Affero General Public License as
#    published by the Free Software Foundation, either version 3 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 Affero General Public License for more details.
#
#    You should have received a copy of the GNU Affero General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.

import httk
from httk.atomistic import Structure


class Result_TotalEnergyResult(httk.Result):

    @httk.httk_typed_init({'computation': httk.Computation, 'structure': Structure, 'total_energy': float})
    def __init__(self, computation, structure, total_energy):
        self.computation = computation
        self.structure = structure
        self.total_energy = total_energy