schrodinger.tasks.cmdline module

schrodinger.tasks.cmdline.start_task(task)

Wrapper around task.start that runs preprocessing, handles any pre- processing errors or warnings, starts the task, and prints a message if the task fails during start.

schrodinger.tasks.cmdline.run_task_from_cmdline(TaskClass, args=None)

Given a TaskClass, create a task and pass it arguments from the command- line. Arguments take the form of -foo.bar.x VALUE', where `foo is a subparam on the input of the task, bar is a subparam on the foo, and x is a subparam on bar. Any omitted arguments will take the default value as specified by their corresponding params.

Parameters

args (list[str]) – A list of strings describing the arguments to the task. If None, the args will be parsed from the command-line.

Returns

The finished task.

Return type

TaskClass

schrodinger.tasks.cmdline.build_task_from_args(TaskClass, args)

schrodinger.tasks.cmdline.run_jobtask_from_cmdline(JobTaskClass, args=None)

schrodinger.tasks.cmdline.build_jobtask_from_args(JobTaskClass, args=None)

schrodinger.tasks.cmdline.write_output(task)

Write out each task output subparam of an allowed type to its own file.

Parameters

task (tasks.AbstractTask) – A task instance with output to be written.

schrodinger.tasks.cmdline.preprocessing_callback(result)

schrodinger.tasks.cmdline.make_get_job_spec_from_args(TaskClass)

Create a get_job_spec_from_args based on the specified task class. Example usage:

get_job_spec_from_args = cmdline.make_get_job_spec_from_args(CounterComboJobTask)

Note: task.job_config will not be populated to match the cmdline job flags

Parameters

TaskClass – the ComboJobTask class to run under jobcontrol

Returns

a get_job_spec_from_args function

schrodinger.tasks.cmdline.make_main(TaskClass: type, auto_write_output: bool = True)

Create a main function for running any combo task directly from the command line in-process (no job control). Example usage:

main = cmdline.make_main(CounterComboJobTask)

if __name__ == ‘__main__’:

qapplication.run_application(main)

Parameters

• TaskClass – the combo task class to instantiate

• auto_write_output – Whether to automatically write the task output to files if possible. Turn off output writing if the task already writes output to files in the backend.

Returns

a main function