Source code for httk.atomistic.vis.asestructurevisualizer
#
# 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.external.ase_glue
[docs]class AseStructureVisualizer(object):
def __init__(self, struct, params={}):
self.struct = struct
self.params = params
[docs] def show(self):
ase_atoms = self.struct.ase.to_Atoms()
#ase_atoms = httk.iface.ase_if.ase_atoms_to_structure(self.struct)
ase_glue.ase.visualize.view(ase_atoms)