asyncmd.trajectory.functionwrapper

asyncmd.trajectory.functionwrapper#

This module contains the Implementation of all TrajectoryFunctionWrapper classes.

It contains the abstract base class TrajectoryFunctionWrapper, and the functional classes PyTrajectoryFunctionWrapper and SlurmTrajectoryFunctionWrapper.

Classes

PyTrajectoryFunctionWrapper(function[, ...])

Wrap python functions for use on asyncmd.Trajectory.

SlurmTrajectoryFunctionWrapper(executable, ...)

Wrap executables to use on asyncmd.Trajectory via SLURM.

TrajectoryFunctionWrapper(**kwargs)

Abstract base class to define the API and some common methods.