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#!@PYTHON_EXECUTABLE@ |
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"""MD File Splitter |
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|
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Splits MD file frames into seperate md files |
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|
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Usage: mdSplit |
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|
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Options: |
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-h, --help show this help |
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-m, --meta-data=... use specified meta-data (.md) file |
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-s, --split-frame=... split every n frames |
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|
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|
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Example: |
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mdSplit -m Ar.md |
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|
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""" |
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|
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__author__ = "Charles Vardeman (cvardema@nd.edu)" |
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__version__ = "$Revision$" |
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__date__ = "$Date$" |
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__copyright__ = "Copyright (c) 2006 by the University of Notre Dame" |
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__license__ = "OpenMD" |
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|
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import sys |
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import getopt |
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import string |
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import os |
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|
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|
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_haveMDFileName = 0 |
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_haveSplitFrame = 0 |
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|
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|
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def usage(): |
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print __doc__ |
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|
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|
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def splitFile(mdFileName,skipFrameNumber): |
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mdFile = open(mdFileName, 'r') |
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|
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(filepath, filename) = os.path.split(mdFileName) |
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|
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(outfilePrefix,ext) = os.path.splitext(filename) |
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|
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|
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|
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metaDataFrame = [] |
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haveMetaData = 0 |
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haveMetaDataEnd = 0 |
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# Find OpenMD version info first |
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line = mdFile.readline() |
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while 1: |
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if '<OOPSE version=' in line or '<OpenMD version=' in line: |
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OpenMDversion = line |
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break |
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line = mdFile.readline() |
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|
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# Rewind file and find start of MetaData block |
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|
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mdFile.seek(0) |
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breakLoop = False |
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line = mdFile.readline() |
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|
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while 1: |
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if '<MetaData>' in line: |
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while 2: |
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metaDataFrame.append(line) |
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line = mdFile.readline() |
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if '</MetaData>' in line: |
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metaDataFrame.append(line) |
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breakLoop = True |
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break |
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if breakLoop: |
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break |
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line = mdFile.readline() |
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|
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|
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mdFile.seek(0) |
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framePos = 0 |
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foundFrames = 0; |
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line = mdFile.readline() |
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while 1: |
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if '<Snapshot>' in line: |
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foundFrames += 1 |
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division,remainder=divmod(foundFrames,int(skipFrameNumber)) |
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if (remainder == 0): |
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outfilename = outfilePrefix + "_" + "%04d" % foundFrames + ext |
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outFile = open(outfilename,'w') |
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outFile.write(OpenMDversion) |
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for metaline in metaDataFrame: |
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outFile.write(metaline) |
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while not '</Snapshot>' in line: |
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outFile.write(line) |
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line = mdFile.readline() |
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outFile.write(line) |
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outFile.write("</OpenMD>") |
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outFile.close() |
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line = mdFile.readline() |
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if not line: break |
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|
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mdFile.close() |
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|
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|
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def main(argv): |
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try: |
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opts, args = getopt.getopt(argv, "hm:s:", ["help", "meta-data=","split-frame", ""]) |
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except getopt.GetoptError: |
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usage() |
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sys.exit(2) |
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for opt, arg in opts: |
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if opt in ("-h", "--help"): |
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usage() |
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sys.exit() |
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elif opt in ("-m", "--meta-data"): |
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mdFileName = arg |
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global _haveMDFileName |
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_haveMDFileName = 1 |
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elif opt in ("-s", "--split-frame"): |
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skipFrameNumber = arg |
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global _haveSplitFrame |
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_haveSplitFrame = 1 |
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if (_haveMDFileName != 1): |
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usage() |
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print "No meta-data file was specified" |
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sys.exit() |
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if (_haveSplitFrame != 1): |
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usage() |
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print "Frames to split was not specified" |
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sys.exit() |
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splitFile(mdFileName,skipFrameNumber); |
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|
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if __name__ == "__main__": |
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if len(sys.argv) == 1: |
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usage() |
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sys.exit() |
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main(sys.argv[1:]) |
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|
