Class MDPoseStrainJob

Job constructor.

Parameters:

• command - The command that runs the job.
• command_dir - The directory from which to run the command.
• max_retries - Number of allowed retries for this job. If this is set, it is never overridden by the SCHRODINGER_MAX_RETRIES environment variable. If it is not set, the value of max_retries defined in JobDJ is used, and SCHRODINGER_MAX_RETRIES can be used to override this value at runtime. To prevent this job from being restarted altogether, set max_retries to zero.
• launch_env_variables - A dictionary with the environment variables to add when the jobcontrol job is launched. The name of any additional variables to set should be in the keyword of the dict and the value should be the corresponding value. These will be added to any environment variables already present, but removed after the job has been launched.
• kwargs - Additional keyword arguments. Provided for consistency of interface in subclasses.

Overrides: job.queue.BaseJob.__init__

(inherited documentation)

Run the job.

The steps taken are as follows:

1. Execute the preCommand method for things like changing the working directory.
2. Call the doCommand to do the actual work of computation or job launching.
3. Call the postCommand method to undo the changes from the preCommand that need to be undone.

Overrides: job.queue.BaseJob.run

(inherited documentation)