Package schrodinger :: Package pipeline :: Module input :: Class Writer
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Class Writer

Known Subclasses:

Class for writing pipeline input files.

Instance Methods [hide private]
 
__init__(self, filename=None, comment=None)
 
write(self, filename=None)
Serialize the job parameters to a file.
 
addVar(self, vname, vclass, data, comment=None)
Add a variable of name vname and class vclass.
 
userOutput(self, varname)
Append output parameter descriptors to self.userouts.
 
setStructureOutput(self, varname)
Set structure output to varname (overwriting the previous one, if any).
 
addStage(self, sname, sclass, inputs, outputs, keywords=None, comment=None)
Add a stage.
Method Details [hide private]

addVar(self, vname, vclass, data, comment=None)

 

Add a variable of name vname and class vclass. For vclass of "PhaseDB" and "Grid", data should be a single path; for vclass of "Structures", data should be a list of files.

The argument comment is ignored.

Parameters:
  • vclass (str)
  • vname (str)

setStructureOutput(self, varname)

 

Set structure output to varname (overwriting the previous one, if any). The structures from this variable will be imported into Maestro when incorporating.

addStage(self, sname, sclass, inputs, outputs, keywords=None, comment=None)

 

Add a stage.

The comment argument is ignored.