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toolkit.py
41 lines (33 loc) · 1.17 KB
/
toolkit.py
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# coding: utf-8
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
# Distributed under the terms of "New BSD License", see the LICENSE file.
"""
A toolkit for managing extensions to the project from atomistics.
"""
from pyiron_base import Toolkit, Project, JobFactoryCore, JOB_CLASS_DICT
from pyiron_atomistics.atomistics.structure.factory import StructureFactory
__author__ = "Liam Huber"
__copyright__ = (
"Copyright 2021, Max-Planck-Institut für Eisenforschung GmbH - "
"Computational Materials Design (CM) Department"
)
__version__ = "1.0"
__maintainer__ = "Liam Huber"
__email__ = "huber@mpie.de"
__status__ = "production"
__date__ = "Sep 7, 2021"
class JobFactory(JobFactoryCore):
@property
def _job_class_dict(self) -> dict:
return JOB_CLASS_DICT
class AtomisticsTools(Toolkit):
def __init__(self, project: Project):
super().__init__(project)
self._structure = StructureFactory()
self._job = JobFactory(project)
@property
def structure(self) -> StructureFactory:
return self._structure
@property
def job(self) -> JobFactory:
return self._job