Package schrodinger :: Package application :: Package desmond :: Module stage :: Class Aacg_SiteMap_Multijob

Class Aacg_SiteMap_Multijob

         object --+        
                  |        
picklejar.Picklable --+    
                      |    
          cmj.StageBase --+
                          |
                         Aacg_SiteMap_Multijob

This class runs multiple SiteMap jobs for mixed resolution cosolvent simulations

Nested Classes

[hide private]

Inherited from cmj.StageBase: __metaclass__

Instance Methods

[hide private]

__init__(self, *arg, **kwarg)
Initialize the aacg-sitemap-multijob stage

crunch(self)
Submit the multiple SiteMap jobs

capture(self, job)
Keeps tarck of the failed jobs and decides whether to proceed to NEXT STAGE or not

Inherited from cmj.StageBase: __getstate__, __setstate__, check_param, describe, determine, hook_captured_successful_job, pack_stage, poststage, prestage, push, release, restart_subjobs

Inherited from cmj.StageBase (private): _effect, _gen_unique_jobname, _get_jobname_and_dir, _get_macro_dict, _log, _param_jlaunch_opt_check, _print, _reg_param_postcheck, _reg_param_precheck, _set

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

Class Variables

[hide private]

NAME = "aacg_sitemap"

SITEMAP_CMD = os.path.join(envir.CONST.SCHRODINGER, 'sitemap')

PARAM = cmj._create_param_when_needed(...

Inherited from cmj.StageBase: count, stage_cls, stage_obj

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, *arg, **kwarg)
(Constructor)

Initialize the aacg-sitemap-multijob stage

Overrides: object.__init__

crunch(self)

Submit the multiple SiteMap jobs

Overrides: cmj.StageBase.crunch

capture(self, job)

Keeps tarck of the failed jobs and decides whether to proceed to NEXT STAGE or not

Overrides: cmj.StageBase.capture

Class Variable Details

[hide private]

PARAM

Value:

cmj._create_param_when_needed("""
    DATA = {
        frame_frequency = 14
        frame_start = 700
        jobname = "$MASTERJOBNAME"
        reference_structure_filename_root = "$MASTERJOBNAME_reference_
structure"
        sitemap_directory = "$MASTERJOBNAME_SiteMap_files"
...

Class Aacg_SiteMap_Multijob

__init__(self, *arg, **kwarg) (Constructor)

crunch(self)

capture(self, job)

PARAM

init(self, *arg, **kwarg)
(Constructor)