Package schrodinger :: Package pipeline :: Package stages :: Module combine :: Class CombineStage

Class CombineStage

    UserDict.UserDict --+        
                        |        
UserDict.IterableUserDict --+    
                            |    
                  stage.Stage --+
                                |
                               CombineStage


Stage for combining multiple Structures objects into one.
Source object can be labeled by supplying LABEL keywords

The keywords specific to this stage are...

    LABELFIELD      An optional property added to each ouput structure
                    that holds the label for the input set whence it
                    came.

    LABELS          List of labels for the input sets.

The stage takes up to ten input structure files sets and generates one
output structure file set.

Instance Methods

[hide private]

__init__(self, *args, **kwargs)
See class docstring.

operate(self)
Combine all the input files from all input sets into one set, optionally labelling each structure according to the set from which it originated.

Inherited from stage.Stage: JobDJOptions, __getitem__, __getstate__, addExpectedInput, addExpectedOutput, addOutputFile, checkFile, checkFiles, checkInputs, checkParameters, checkProducts, debug, dump, error, exit, genFileName, genOutputFileName, getAdjustedNJobs, getCleanupRequested, getHostList, getHostStr, getInput, getInputNames, getJobDJ, getLocal, getMaxRetries, getNCpus, getNJobs, getName, getOutput, getOutputName, getOutputNames, getRuntimePath, getStageDirectory, getVerbosity, hasCompleted, hasStarted, info, iterInputs, log, lognoret, mainProduct, outputRequested, reportParameters, requiredProduct, requiredProductRuntime, run, runJobDJ, setInput, setJobDJOptions, setJobOptions, setMainProduct, setOutput, setOutputName, updateJobdj, validateValues, waitForFileStatus, waitForFiles, warning

Inherited from stage.Stage (private): _adjustNJobs, _calcStsPerJob, _inputCheck, _minVersionPresent, _readMessageFromDriver

Inherited from UserDict.IterableUserDict: __iter__

Inherited from UserDict.UserDict: __cmp__, __contains__, __delitem__, __len__, __repr__, __setitem__, clear, copy, get, has_key, items, iteritems, iterkeys, itervalues, keys, pop, popitem, setdefault, update, values

Class Methods

[hide private]

Inherited from UserDict.UserDict: fromkeys

Class Variables

[hide private]

Inherited from UserDict.UserDict: __hash__

Method Details

[hide private]

init(self, *args, **kwargs)
(Constructor)

See class docstring.

Overrides: UserDict.UserDict.__init__

operate(self)

Combine all the input files from all input sets into one set, optionally labelling each structure according to the set from which it originated. Raises a RuntimeError if there is a problem reading an input file or writing an output file.

Overrides: stage.Stage.operate

Class CombineStage

__init__(self, *args, **kwargs) (Constructor)

operate(self)

init(self, *args, **kwargs)
(Constructor)