schrodinger.application.matsci.enumeration

A class and function that help enumerate possibilities - could be enumerating over items of a list or enumerating the element at various atom positions in a structure, for instance.

perform_transmutations(minimum_transmutations, maximum_transmutations, transmutation_sites, alchemist_creator, data, **kwargs)

Enumerate all possible transmutations on an object

Parameters:

minimum_transmutations (int) - The minimum number of transmutations to perform on each object
maximum_transmutations (int) - The maximum number of transmutations to perform on each object
transmutation_sites (list) - The indexes of the object that are available for transmutation
alchemist_creator (callable) - A method that creates an Alchemist object. The method should take the following positional arguments: 1) A list of sites to transmute, 2) A child alchmist (or None if no child). In addition, any additional keyword arguments passed to the perform_transmutations function are passed on to the alchemist_creator function as keyword arguments.
data - The object to perform transmutations on

Note: Any additional keyword arguments are passed to the alchemist_creator function

doc

Value:

"""
A class and function that help enumerate possibilities - could be enum
erating
over items of a list or enumerating the element at various atom positi
ons in a
structure, for instance.

Copyright Schrodinger, LLC. All rights reserved.
...

description

Value:

'''
A class and function that help enumerate possibilities - could be enum
erating
over items of a list or enumerating the element at various atom positi
ons in a
structure, for instance.

Copyright Schrodinger, LLC. All rights reserved.
...

Module enumeration

perform_transmutations(minimum_transmutations, maximum_transmutations, transmutation_sites, alchemist_creator, data, **kwargs)

__doc__

description

doc