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)