Package schrodinger :: Module structure :: Class MultiFileStructureWriter
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Class MultiFileStructureWriter

                 object --+    
                          |    
_ReaderWriterContextManager --+
                              |
                             MultiFileStructureWriter
Known Subclasses:


Similar to StructureWriter, except that it writes to multiple files,
while keeping the number of structures per file under sts_per_file.

Files will be named <basename>-NNN<extension>. Default extension is *.maegz.

Options:
  basename - The base name of the written files
  extension - The extension of the written files (default ".maegz")
  sts_per_file - Maximum number of structures to write to each file (default 100000)

Usage:
  writer = MultiFileWriter(out_basename, ".maegz", 50)
  for st in sts:
      writer.append(st)
  writer.close()
  written_files = writer.getFiles()

Instance Methods [hide private]
 
__init__(self, basename, extension='.maegz', sts_per_file=100000)
x.__init__(...) initializes x; see help(type(x)) for signature
 
append(self, st)
 
getFiles(self)
Return a list of file paths for the written files.
 
getNumStructures(self)
Return the total number of structures that were written.
 
close(self)
Close any open file handles

Inherited from _ReaderWriterContextManager: __enter__, __exit__

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

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, basename, extension='.maegz', sts_per_file=100000)
(Constructor)

 

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

Overrides: object.__init__
(inherited documentation)