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

Class McproSimulate

         object --+            
                  |            
picklejar.Picklable --+        
                      |        
          cmj.StageBase --+    
                          |    
             McproStageBase --+
                              |
                             McproSimulate

Nested Classes

[hide private]

Inherited from cmj.StageBase: __metaclass__

Instance Methods

[hide private]

__init__(self, *arg, **kwarg)
x.__init__(...) initializes x; see help(type(x)) for signature

_check_cpu(self)

crunch(self)
This is where jobs of this stage are created.

Inherited from cmj.StageBase: __getstate__, __setstate__, capture, 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__

Static Methods

[hide private]

Inherited from McproStageBase: symlink_input

Class Variables

[hide private]

NAME = "mcpro_simulate"

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)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__

crunch(self)

This is where jobs of this stage are created. This function should be overriden by the subclass.

Overrides: cmj.StageBase.crunch

Class Variable Details

[hide private]

PARAM

Value:

cmj._create_param_when_needed(["""
    DATA = {
    cpu               = 1
    caprad            = 22.0
    capat             = CAP
    svmod1            = TIP3P
    wkc               = 150
    adels1_1          = 0.0
...

Class McproSimulate

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

crunch(self)

PARAM

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