openmmtools.integrators.PrettyPrintableIntegrator

class openmmtools.integrators.PrettyPrintableIntegrator[source]

A PrettyPrintableIntegrator can format the contents of its step program for printing.

This is a mix-in.

TODO: We should check that the object (self) is a CustomIntegrator or subclass.

Methods

pretty_format([as_list, step_types_to_highlight]) Generate a human-readable version of each integrator step.
pretty_print() Pretty-print the computation steps of this integrator.
__init__($self, /, *args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

Methods

pretty_format([as_list, step_types_to_highlight]) Generate a human-readable version of each integrator step.
pretty_print() Pretty-print the computation steps of this integrator.
pretty_format(as_list=False, step_types_to_highlight=None)[source]

Generate a human-readable version of each integrator step.

Parameters:
as_list : bool, optional, default=False

If True, a list of human-readable strings will be returned. If False, these will be concatenated into a single human-readable string.

step_types_to_highlight : list of int, optional, default=None

If specified, these step types will be highlighted.

Returns:
readable_lines : list of str

A list of human-readable versions of each step of the integrator

pretty_print()[source]

Pretty-print the computation steps of this integrator.