[ViewVC] Annotation of: OpenMD/branches/development/src/applications/utilities/mdSplit

#!/usr/bin/env python
"""MD File Splitter

Splits MD file frames into seperate md files

Usage: mdSplit

Options:
  -h, --help              show this help
  -m, --meta-data=...     use specified meta-data (.md) file
  -s, --split-frame=...   split every n frames


Example:
   mdSplit -m Ar.md 

"""

__author__ = "Charles Vardeman (cvardema@nd.edu)"
__version__ = "$Revision$"
__date__ = "$Date$"
__copyright__ = "Copyright (c) 2006 by the University of Notre Dame"
__license__ = "OpenMD"

import sys
import getopt
import string
import os


_haveMDFileName = 0
_haveSplitFrame = 0


def usage():
    print __doc__


def splitFile(mdFileName,skipFrameNumber):
    mdFile = open(mdFileName, 'r')

    (filepath, filename) = os.path.split(mdFileName)
   
    (outfilePrefix,ext)  = os.path.splitext(filename)

    
    metaDataFrame = []
    haveMetaData = 0
    haveMetaDataEnd = 0
# Find OpenMD version info first
    line = mdFile.readline()
    while 1:
        if '<OOPSE version=' in line or '<OpenMD version=' in line:
            OpenMDversion = line
            break
        line = mdFile.readline()

# Rewind file and find start of MetaData block

    mdFile.seek(0)
    breakLoop = False
    line = mdFile.readline()

    while 1:
        if '<MetaData>' in line:
            while 2:
                metaDataFrame.append(line)
                line = mdFile.readline()
                if '</MetaData>' in line:
                    metaDataFrame.append(line)
                    breakLoop = True
                    break
        if breakLoop:
            break
        line = mdFile.readline()


    mdFile.seek(0)
    framePos = 0
    foundFrames = 0;
    line = mdFile.readline()
    while 1:
        if '<Snapshot>' in line:
            foundFrames += 1
            division,remainder=divmod(foundFrames,int(skipFrameNumber))
            if (remainder == 0):
                outfilename = outfilePrefix + "_" + "%04d" % foundFrames + ext
                outFile = open(outfilename,'w')
                outFile.write(OpenMDversion)
                for metaline in metaDataFrame:
                    outFile.write(metaline)
                while not '</Snapshot>' in line:
                    outFile.write(line)
                    line = mdFile.readline()
                outFile.write(line)
                outFile.write("</OpenMD>")
                outFile.close()
        line = mdFile.readline()
        if not line: break
    
    mdFile.close()


def main(argv):                         
    try:                                
        opts, args = getopt.getopt(argv, "hm:s:", ["help", "meta-data=","split-frame", ""]) 
    except getopt.GetoptError:           
        usage()                          
        sys.exit(2)                     
    for opt, arg in opts:                
        if opt in ("-h", "--help"):      
            usage()                     
            sys.exit()                  
        elif opt in ("-m", "--meta-data"): 
            mdFileName = arg
            global _haveMDFileName
            _haveMDFileName = 1
        elif opt in ("-s", "--split-frame"): 
            skipFrameNumber = arg
            global _haveSplitFrame
            _haveSplitFrame = 1
    if (_haveMDFileName != 1):
        usage() 
        print "No meta-data file was specified"
        sys.exit()
    if (_haveSplitFrame != 1):
        usage() 
        print "Frames to split was not specified"
        sys.exit()
    splitFile(mdFileName,skipFrameNumber);

if __name__ == "__main__":
    if len(sys.argv) == 1:
        usage()
        sys.exit()
    main(sys.argv[1:])

Revision:	1442
Committed:	Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path:	*trunk/src/applications/utilities/mdSplit*
File size:	3599 byte(s)
Log Message:	Adding property set to svn entries
#	User	Rev	Content
1	chuckv	1060	#!/usr/bin/env python
2			"""MD File Splitter
3
4			Splits MD file frames into seperate md files
5
6			Usage: mdSplit
7
8			Options:
9			-h, --help show this help
10			-m, --meta-data=... use specified meta-data (.md) file
11			-s, --split-frame=... split every n frames
12
13
14			Example:
15			mdSplit -m Ar.md
16
17			"""
18
19			__author__ = "Charles Vardeman (cvardema@nd.edu)"
20	gezelter	1442	__version__ = "$Revision$"
21			__date__ = "$Date$"
22	chuckv	1060	__copyright__ = "Copyright (c) 2006 by the University of Notre Dame"
23	gezelter	1390	__license__ = "OpenMD"
24	chuckv	1060
25			import sys
26			import getopt
27			import string
28			import os
29
30
31			_haveMDFileName = 0
32			_haveSplitFrame = 0
33
34
35			def usage():
36			print __doc__
37
38
39			def splitFile(mdFileName,skipFrameNumber):
40			mdFile = open(mdFileName, 'r')
41	chuckv	1107
42			(filepath, filename) = os.path.split(mdFileName)
43	chuckv	1060
44	chuckv	1107	(outfilePrefix,ext) = os.path.splitext(filename)
45	chuckv	1060
46
47
48			metaDataFrame = []
49			haveMetaData = 0
50			haveMetaDataEnd = 0
51	gezelter	1390	# Find OpenMD version info first
52	chuckv	1060	line = mdFile.readline()
53			while 1:
54	gezelter	1390	if '<OOPSE version=' in line or '<OpenMD version=' in line:
55			OpenMDversion = line
56	chuckv	1060	break
57			line = mdFile.readline()
58
59			# Rewind file and find start of MetaData block
60
61			mdFile.seek(0)
62			breakLoop = False
63			line = mdFile.readline()
64
65			while 1:
66			if '<MetaData>' in line:
67			while 2:
68			metaDataFrame.append(line)
69			line = mdFile.readline()
70			if '</MetaData>' in line:
71			metaDataFrame.append(line)
72			breakLoop = True
73			break
74			if breakLoop:
75			break
76			line = mdFile.readline()
77
78
79			mdFile.seek(0)
80			framePos = 0
81			foundFrames = 0;
82			line = mdFile.readline()
83			while 1:
84			if '<Snapshot>' in line:
85			foundFrames += 1
86			division,remainder=divmod(foundFrames,int(skipFrameNumber))
87			if (remainder == 0):
88	chuckv	1109	outfilename = outfilePrefix + "_" + "%04d" % foundFrames + ext
89	chuckv	1060	outFile = open(outfilename,'w')
90	gezelter	1390	outFile.write(OpenMDversion)
91	chuckv	1060	for metaline in metaDataFrame:
92			outFile.write(metaline)
93			while not '</Snapshot>' in line:
94			outFile.write(line)
95			line = mdFile.readline()
96			outFile.write(line)
97	gezelter	1390	outFile.write("</OpenMD>")
98	chuckv	1060	outFile.close()
99			line = mdFile.readline()
100			if not line: break
101	chuckv	1071
102	chuckv	1060	mdFile.close()
103
104
105			def main(argv):
106			try:
107			opts, args = getopt.getopt(argv, "hm:s:", ["help", "meta-data=","split-frame", ""])
108			except getopt.GetoptError:
109			usage()
110			sys.exit(2)
111			for opt, arg in opts:
112			if opt in ("-h", "--help"):
113			usage()
114			sys.exit()
115			elif opt in ("-m", "--meta-data"):
116			mdFileName = arg
117			global _haveMDFileName
118			_haveMDFileName = 1
119			elif opt in ("-s", "--split-frame"):
120			skipFrameNumber = arg
121			global _haveSplitFrame
122			_haveSplitFrame = 1
123			if (_haveMDFileName != 1):
124			usage()
125			print "No meta-data file was specified"
126			sys.exit()
127			if (_haveSplitFrame != 1):
128			usage()
129			print "Frames to split was not specified"
130			sys.exit()
131			splitFile(mdFileName,skipFrameNumber);
132
133			if __name__ == "__main__":
134			if len(sys.argv) == 1:
135			usage()
136			sys.exit()
137			main(sys.argv[1:])
138