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.
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__init__(self,
basename,
extension=".maegz",
sts_per_file=100000) |
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close(self)
Close any open file handles |
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