Package schrodinger :: Package structutils :: Module io :: Class MultiFileWriter
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Class MultiFileWriter


Writes structres to basename-NNN<extension> while never 
writing more than 100,000 structures to a file.

Options:
  basename - The base name of the written files
  extension - The extention of the written files (default ".maegz")
  sts_per_file - Maximum number of structures to write to each file (default 100000)
  
Files will be named <basename>-NNN<extension>

Usage:
  writer = MultiFileWriter(basename, ".maegz")
  for st in sts:
      writer.append(st)
  writer.close()
  files = writer.getFiles()

You may want to get basename using self.getOutputName(position)

NOTE: The writer must be closed after the last structrue is written.

Instance Methods [hide private]
 
__init__(self, basename, extension=".maegz", sts_per_file=100000)
 
append(self, st)
 
getFiles(self)
 
getNumStructures(self)
 
close(self)
Close any open file handles