schrodinger.application.desmond.stage.jobs module

class schrodinger.application.desmond.stage.jobs.DesmondJob(task='', gid=None, permanent_restrain=None, permanent_group=None, *arg, **kwarg)

Bases: schrodinger.application.desmond.cmj.Job

static err_handler(job)
__init__(task='', gid=None, permanent_restrain=None, permanent_group=None, *arg, **kwarg)
describe()
class Time(launch, start, end, num_cpu, cpu_time, duration)

Bases: object

__init__(launch, start, end, num_cpu, cpu_time, duration)

Initialize self. See help(type(self)) for accurate signature.

finish()
get_proc_time()
static get_time(jctrl, num_cpu)
launch(host=None)
process_completed_job()

Check for valid output and set status of job, assuming job is already complete.

update()
class schrodinger.application.desmond.stage.jobs.FepJob(fepid=None, n_win=None, i_win=None, fepout=None, egout=None, fragname=None, *arg, **kwarg)

Bases: schrodinger.application.desmond.stage.jobs.DesmondJob, schrodinger.application.desmond.picklejar.Picklable

id = 0
__init__(fepid=None, n_win=None, i_win=None, fepout=None, egout=None, fragname=None, *arg, **kwarg)
class Time(launch, start, end, num_cpu, cpu_time, duration)

Bases: object

__init__(launch, start, end, num_cpu, cpu_time, duration)

Initialize self. See help(type(self)) for accurate signature.

static err_handler(job)
finish()
get_proc_time()
static get_time(jctrl, num_cpu)
launch(host=None)
process_completed_job()

Check for valid output and set status of job, assuming job is already complete.

update()
describe()