schrodinger.application.desmond.stage.workflow module

Various multisim concrete stage classes.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.stage.workflow.Primer(*arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'primer'

__init__(*arg, **kwarg)

describe()

start(fname_in)

class schrodinger.application.desmond.stage.workflow.Concluder(fname_out=None, *arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

This stage does not create any jobs for the ‘cmj.QUEUE’.

NAME = 'concluder'

__init__(fname_out=None, *arg, **kwarg)

describe()

release()

Calls the ‘crunch’ method to generate new jobs objects and submits them to the ‘QUEUE’.

class schrodinger.application.desmond.stage.workflow.Task(*arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'task'

gid = 0

PARAM = <schrodinger.utils.sea.sea.Map object>

__init__(*arg, **kwarg)

set_family()

crunch()

This is where jobs of this stage are created. This function should be overriden by the subclass.

class schrodinger.application.desmond.stage.workflow.Extern(*arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'extern'

PARAM = <schrodinger.utils.sea.sea.Map object>

__init__(*arg, **kwarg)

serialize(attribute)

crunch()

class schrodinger.application.desmond.stage.workflow.Trim(*arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'trim'

PARAM = <schrodinger.utils.sea.sea.Map object>

__init__(*arg, **kwarg)

crunch()

class schrodinger.application.desmond.stage.workflow.Stop(*arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'stop'

__init__(*arg, **kwarg)

crunch()

prestage()

poststage()

schrodinger.application.desmond.stage.workflow.all_stage_family()

schrodinger.application.desmond.stage.workflow.systrait_is(stage, map_msj, arg)

schrodinger.application.desmond.stage.workflow.systype_is(stage, map_msj, arg)

schrodinger.application.desmond.stage.workflow.has_file(stage, map_msj, arg)

schrodinger.application.desmond.stage.workflow.has_dir(stage, map_msj, arg)

schrodinger.application.desmond.stage.workflow.is_debugging(stage, map_msj, arg)