Source code for psi4_step.psi4_step

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

import psi4_step




class Psi4Step(object):
    """Helper class needed for the stevedore integration.

    This must provide a description() method that returns a dict containing a
    description of this node, and create_node() and create_tk_node() methods
    for creating the graphical and non-graphical nodes.

    Parameters
    ----------
    my_description : {description, group, name}
        A human-readable description of this step. It can be
        several lines long, and needs to be clear to non-expert users.
        It contains the following keys: description, group, name.
    my_description['description'] : tuple
        A description of the Psi4 step. It must be
        clear to non-experts.
    my_description['group'] : str
        Which group in the menus to put this step. If the group does
        not exist it will be created. Common groups are 'Building',
        'Calculations', 'Control' and 'Data'.
    my_description['name'] : str
        The name of this step, to be displayed in the menus.
    """

    my_description = {
        "description": ("An interface for Psi4"),
        "group": "Simulations",
        "name": "Psi4",
    }

    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



    def description(self):
        """Return a description of what this extension does"""
        return Psi4Step.my_description




    def create_node(self, flowchart=None, **kwargs):
        """Create and return the new node object.

        Parameters
        ----------
        flowchart: seamm.Node
            A non-graphical SEAMM node

        **kwargs : keyworded arguments
            Various keyworded arguments such as title, namespace or
            extension representing the title displayed in the flowchart,
            the namespace for the plugins of a subflowchart and
            the extension, respectively.

        Returns
        -------
        Psi4

        See Also
        --------
        Psi4

        """

        return psi4_step.Psi4(flowchart=flowchart, **kwargs)




    def create_tk_node(self, canvas=None, **kwargs):
        """Create and return the graphical Tk node object.

        Parameters
        ----------
        canvas : tk.Canvas
            The Tk Canvas widget

        **kwargs : keyworded arguments
            Various keyworded arguments such as tk_flowchart, node, x, y, w, h
            representing a graphical flowchart object, a non-graphical node for
            a step, and dimensions of the graphical node.

        Returns
        -------
        TkPsi4

        See Also
        --------
        TkPsi4
        """

        return psi4_step.TkPsi4(canvas=canvas, **kwargs)