Source code for dftbplus_step.optimization_step

# -*- coding: utf-8 -*-

"""Main module."""

import dftbplus_step


[docs] class OptimizationStep(object): my_description = { "description": "Structure optimization DFTB+", "group": "Simulations", "name": "Optimization", } def __init__(self, flowchart=None, gui=None): """Initialize this helper class, which is used by the application via stevedore to get information about and create node objects for the flowchart """ pass
[docs] def description(self): """Return a description of what this extension does""" return OptimizationStep.my_description
[docs] def create_node(self, flowchart=None, **kwargs): """Return the new node object""" return dftbplus_step.Optimization(flowchart=flowchart, **kwargs)
[docs] def create_tk_node(self, canvas=None, **kwargs): """Return the graphical Tk node object""" return dftbplus_step.TkOptimization(canvas=canvas, **kwargs)