Package schrodinger :: Package application :: Package matsci :: Module jobutils :: Class MultijobDriver
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Class MultijobDriver

object --+
         |
        MultijobDriver

Resubmit the driver as subjobs

Instance Methods [hide private]
 
__init__(self, runlist, options, args, log, remote_script, default_jobname, basename=None)
Create multiple cells in parallel running a subjob for each cell.
 
remove_flag(self, args, flag, and_value=False)
Remove a flag from the comand line flags
 
replace_value(self, args, old_value, new_value)
Replace the list item with value=old_value with the new value
 
multijob_driver(self, runlist, options, args, basename, log, remote_script)
Create multiple cells in parallel running a subjob for each cell.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  COMPOSITION_FLAG = '-composition'
  COMPOSITION_FLAG_SHORT = '-c'
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, runlist, options, args, log, remote_script, default_jobname, basename=None)
(Constructor)

 

Create multiple cells in parallel running a subjob for each cell. Zip up the resulting cms files into a jobname.zip file and set it as the structure output file to be incorporated.

Parameters:
  • runlist (list of CellRunInfo) - Each item of runlist will generate a subjob and a single cell
  • options (argparse.Namespace) - The command line options
  • args (iterable) - The command line arguments as passed in by sys
  • log (function) - function(msg) writes msg to log file
  • remote_script (string) - the dir and name for driver to resubmit
  • default_jobname (string) - Default job name
  • basename (str or None) - The generic basename defined from inputfile.
Overrides: object.__init__

remove_flag(self, args, flag, and_value=False)

 

Remove a flag from the comand line flags

Parameters:
  • args (list) - The list of command line arguments
  • flag (str) - The flag to remove
  • and_value (bool) - Also remove the value associated with the flag - it is assumed that this is the following list item

replace_value(self, args, old_value, new_value)

 

Replace the list item with value=old_value with the new value

Parameters:
  • args (list) - The list of command line arguments
  • old_value (str) - The value to replace
  • new_value (str) - The value to replace old_value with

multijob_driver(self, runlist, options, args, basename, log, remote_script)

 

Create multiple cells in parallel running a subjob for each cell. Zip up the resulting cms files into a jobname.zip file and set it as the structure output file to be incorporated.

Parameters:
  • runlist (list of CellRunInfo) - Each item of runlist will generate a subjob and a single cell
  • options (argparse.Namespace) - The command line options
  • args (iterable) - The command line arguments as passed in by sys
  • basename (str) - The zipped .zip or . maegz filename for all job files.
  • log (function) - function(msg) writes msg to log file
  • remote_script (string) - the dir and name for driver to resubmit