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

Class MatSciAnalysis

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

This class sets up and runs automatic analysis for material-science related jobs.

Nested Classes

[hide private]

Inherited from cmj.StageBase: __metaclass__

Instance Methods

[hide private]

__init__(self, *arg, **kwarg)
initialization of Material Science Analysis stage

list of ark objects

getMSJobKeywords(self)
This returns the keywords always used for this job type.

crunch(self)
do all the setup and submit the calculations

hook_captured_successful_job(self, job)

Inherited from cmj.StageBase: __getstate__, __setstate__, capture, check_param, describe, determine, 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 = "matsci_analysis"

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)

initialization of Material Science Analysis stage

Overrides: object.__init__

getMSJobKeywords(self)

This returns the keywords always used for this job type.

Returns: list of ark objects: Standard job keywords

crunch(self)

do all the setup and submit the calculations

Overrides: cmj.StageBase.crunch

hook_captured_successful_job(self, job)

Overrides: cmj.StageBase.hook_captured_successful_job: (inherited documentation)

Class Variable Details

[hide private]

PARAM

Value:

cmj._create_param_when_needed(["""
    DATA = {
    }
    VALIDATE = {
    }
    """,])

Class MatSciAnalysis

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

getMSJobKeywords(self)

crunch(self)

hook_captured_successful_job(self, job)

PARAM

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