openmmtools.integrators.PrettyPrintableIntegrator¶
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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__()¶ x.__init__(…) initializes x; see help(type(x)) for 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
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