[ViewVC] Annotation of: OpenMD/trunk/src/applications/utilities/md2md

#!@PYTHON_EXECUTABLE@
"""MetaData file remapper

Takes a MetaData file and maps all StuntDoubles back to the periodic box.
Will optionally replicate the system in the three box directions, or 
translate every object in the box and before writing out a new MetaData file.

Usage: md2md

Options:
  -h,  --help             show this help
  -m,  --meta-data=...    use specified meta-data (.md, .eor) file
  -o,  --output-file=...  use specified output file
  -x,  --repeatX=...      make the system repeat in the x direction
  -y,  --repeatY=...      make the system repeat in the y direction
  -z,  --repeatZ=...      make the system repeat in the z direction
  -t,  --translateX=...   translate all x coordinates by some amount 
  -u,  --translateY=...   translate all y coordinates by some amount
  -v,  --translateZ=...   translate all z coordinates by some amount

Example:
  md2md -m lipidSystem.md -o bigLipidSystem.md -x 2 -y 2 -z 1 -v 35.0

"""

__author__ = "Dan Gezelter (gezelter@nd.edu)"
__version__ = "$Revision$"
__date__ = "$Date$"
__copyright__ = "Copyright (c) 2009 by the University of Notre Dame"
__license__ = "OpenMD"

import sys
import getopt
import string
import math
import random
from sets import *

metaData = []
frameData = []
indices = []
pvqj = []
p = []
v = []
q = []
j = []
Hmat = []
BoxInv = []

def usage():
    print __doc__

def readFile(mdFileName):
    mdFile = open(mdFileName, 'r')        
    # 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)
    line = mdFile.readline()
    print "reading MetaData"
    while 1:
        if '<MetaData>' in line:
            while 2:
                metaData.append(line)
                line = mdFile.readline()
                if '</MetaData>' in line:
                    metaData.append(line)
                    break
            break
        line = mdFile.readline()

    mdFile.seek(0)
    print "reading Snapshot"
    line = mdFile.readline()
    while 1:
        if '<Snapshot>' in line:
            line = mdFile.readline()
            while 1:
                print "reading FrameData"
                if '<FrameData>' in line:
                    while 2:
                        frameData.append(line)
                        if 'Hmat:' in line:
                            L = line.split()
                            Hxx = float(L[2].strip(','))
                            Hxy = float(L[3].strip(','))
                            Hxz = float(L[4].strip(','))
                            Hyx = float(L[7].strip(','))
                            Hyy = float(L[8].strip(','))
                            Hyz = float(L[9].strip(','))
                            Hzx = float(L[12].strip(','))
                            Hzy = float(L[13].strip(','))
                            Hzz = float(L[14].strip(','))
                            Hmat.append([Hxx, Hxy, Hxz])
                            Hmat.append([Hyx, Hyy, Hyz])
                            Hmat.append([Hzx, Hzy, Hzz])
                            BoxInv.append(1.0/Hxx)
                            BoxInv.append(1.0/Hyy)
                            BoxInv.append(1.0/Hzz)
                        line = mdFile.readline()
                        if '</FrameData>' in line:
                            frameData.append(line)
                            break
                    break

            line = mdFile.readline()
            while 1:
                if '<StuntDoubles>' in line:
                    line = mdFile.readline()
                    while 2:
                        L = line.split()
                        myIndex = int(L[0])
                        indices.append(myIndex)
                        pvqj.append(L[1])
                        if 'p' in L[1]:                              
                            x = float(L[2])
                            y = float(L[3])
                            z = float(L[4])                            
                            p.append([x, y, z])
                        else:
                            p.append([0.0, 0.0, 0.0])
                        if 'v' in L[1]:                              
                            vx = float(L[5])                                
                            vy = float(L[6])
                            vz = float(L[7])
                            v.append([vx, vy, vz])
                        else:
                            v.append([0.0, 0.0, 0.0])
                        if 'q' in L[1]:
                            qw = float(L[8])
                            qx = float(L[9])
                            qy = float(L[10])
                            qz = float(L[11])
                            q.append([qw, qx, qy, qz])
                        else:
                            q.append([0.0, 0.0, 0.0, 0.0])
                        if 'j' in L[1]:
                            jx = float(L[12])
                            jy = float(L[13])
                            jz = float(L[14])
                            j.append([jx, jy, jz])
                        else:
                            j.append([0.0, 0.0, 0.0])
                                               
                        line = mdFile.readline()
                        if '</StuntDoubles>' in line:
                            break
                    break
        line = mdFile.readline()
        if not line: break
    
    mdFile.close()

def writeFile(outputFileName,repeatX,repeatY,repeatZ):
    outputFile = open(outputFileName, 'w')

    outputFile.write("<OpenMD version=1>\n");

    print "writing MetaData"
    for metaline in metaData:
        if 'nMol' in metaline:
            metasplit = metaline.split()
            nMol = float(metasplit[2].strip(';'))
            newNmol = nMol * repeatX * repeatY * repeatZ
            outputFile.write('  nMol = %10d;\n' % (newNmol))
        else:
            outputFile.write(metaline)

    print "writing Snapshot"
    outputFile.write("  <Snapshot>\n")

    print "writing FrameData"
    for frameline in frameData:
        if 'Hmat:' in frameline:
            myH = []
            myH.append([repeatX * Hmat[0][0], repeatX * Hmat[0][1], repeatX * Hmat[0][2]])
            myH.append([repeatY * Hmat[1][0], repeatY * Hmat[1][1], repeatY * Hmat[1][2]])
            myH.append([repeatZ * Hmat[2][0], repeatZ * Hmat[2][1], repeatZ * Hmat[2][2]])
            outputFile.write("        Hmat: {{ %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }}\n" % (myH[0][0], myH[0][1], myH[0][2], myH[1][0], myH[1][1], myH[1][2], myH[2][0], myH[2][1], myH[2][2]))
        else:
            outputFile.write(frameline)

    print "writing StuntDoubles"
    outputFile.write("    <StuntDoubles>\n")

    print repeatX, repeatY, repeatZ

    deco = [ (index, i) for i, index in enumerate(indices) ]
    deco.sort()
    whichSD = 0
    for ii in range(repeatX):
        for jj in range(repeatY):
            for kk in range(repeatZ):
                for index in range(len(deco)):
                    (index,i) = deco[index]
                    print i
                    myP = [] 
                    myP.append(p[i][0] + ii*Hmat[0][0] + jj*Hmat[1][0] + kk*Hmat[2][0])
                    myP.append(p[i][1] + ii*Hmat[0][1] + jj*Hmat[1][1] + kk*Hmat[2][1])
                    myP.append(p[i][2] + ii*Hmat[0][2] + jj*Hmat[1][2] + kk*Hmat[2][2])
    
                    if (pvqj[i] == 'p'):
                        outputFile.write("%10d %7s %18.10g %18.10g %18.10g\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2]))

                    elif (pvqj[i] == 'pv'):
                        outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], v[i][0], v[i][1], v[i][2]))
                    elif (pvqj[i] == 'pq'):
                        outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], q[i][0], q[i][1], q[i][2], q[i][3]))
                    elif (pvqj[i] == 'pvqj'):
                        outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e %13e %13e %13e %13e %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], v[i][0], v[i][1], v[i][2], q[i][0], q[i][1], q[i][2], q[i][3], j[i][0], j[i][1], j[i][2]))
                    whichSD = whichSD + 1

    outputFile.write("    </StuntDoubles>\n")
    outputFile.write("  </Snapshot>\n")
    outputFile.write("</OpenMD>\n")
    outputFile.close()

def roundMe(x):
    if (x >= 0.0):
        return math.floor(x + 0.5)
    else:
        return math.ceil(x - 0.5)

def wrapVector(myVect):
    scaled = [0.0, 0.0, 0.0]
    for i in range(3):
        scaled[i] = myVect[i] * BoxInv[i]
        scaled[i] = scaled[i] - roundMe(scaled[i])
        myVect[i] = scaled[i] * Hmat[i][i]
    return myVect

def dot(L1, L2):
    myDot = 0.0
    for i in range(len(L1)):
        myDot = myDot + L1[i]*L2[i]
    return myDot

def normalize(L1):
    L2 = []
    myLength = math.sqrt(dot(L1, L1))
    for i in range(len(L1)):
        L2.append(L1[i] / myLength)
    return L2

def cross(L1, L2):
    # don't call this with anything other than length 3 lists please
    # or you'll be sorry
    L3 = [0.0, 0.0, 0.0]
    L3[0] = L1[1]*L2[2] - L1[2]*L2[1] 
    L3[1] = L1[2]*L2[0] - L1[0]*L2[2]
    L3[2] = L1[0]*L2[1] - L1[1]*L2[0]
    return L3

def mapToBox(translateX, translateY, translateZ):
    print "translating by %f\t%f\t%f" % (translateX, translateY, translateZ)
    for i in range(len(indices)):
        dpos = []
        dpos.append(p[i][0] + translateX)
        dpos.append(p[i][1] + translateY)
        dpos.append(p[i][2] + translateZ)
        p[i] = wrapVector(dpos)

def main(argv):
    repeatX = 1
    repeatY = 1
    repeatZ = 1
    translateX = 0.0
    translateY = 0.0
    translateZ = 0.0
    _haveMDFileName = 0
    _haveOutputFileName = 0
    try:                                
        opts, args = getopt.getopt(argv, "hm:o:x:y:z:t:u:v:", ["help", "meta-data=", "output-file=", "repeatX=", "repeatY=", "repeatZ=","translateX=","translateY=","translateZ="]) 
    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
            _haveMDFileName = 1
        elif opt in ("-o", "--output-file"): 
            outputFileName = arg
            _haveOutputFileName = 1
        elif opt in ("-x", "--repeatX"):
            repeatX = int(arg)
        elif opt in ("-y", "--repeatY"): 
            repeatY = int(arg)
        elif opt in ("-z", "--repeatZ"): 
            repeatZ = int(arg)
        elif opt in ("-t", "--translateX"):
            translateX = float(arg)
        elif opt in ("-u", "--translateY"): 
            translateY = float(arg)
        elif opt in ("-v", "--translateZ"): 
            translateZ = float(arg)
    if (_haveMDFileName != 1):
        usage() 
        print "No meta-data file was specified"
        sys.exit()
    if (_haveOutputFileName != 1):
        usage()
        print "No output file was specified"
        sys.exit()

    readFile(mdFileName)
    mapToBox(translateX, translateY, translateZ)    
    writeFile(outputFileName, repeatX, repeatY, repeatZ)

if __name__ == "__main__":
    if len(sys.argv) == 1:
        usage()
        sys.exit()
    main(sys.argv[1:])
Revision:	2041
Committed:	Fri Nov 14 14:31:47 2014 UTC (10 years, 8 months ago) by gezelter
File size:	11794 byte(s)
Log Message:	Modified md2md to deal with pvqj fields that don't have v or j.
#	User	Rev	Content
1	gezelter	1782	#!@PYTHON_EXECUTABLE@
2	gezelter	1227	"""MetaData file remapper
3
4			Takes a MetaData file and maps all StuntDoubles back to the periodic box.
5	gezelter	1383	Will optionally replicate the system in the three box directions, or
6			translate every object in the box and before writing out a new MetaData file.
7	gezelter	1227
8			Usage: md2md
9
10			Options:
11	gezelter	1383	-h, --help show this help
12			-m, --meta-data=... use specified meta-data (.md, .eor) file
13			-o, --output-file=... use specified output file
14			-x, --repeatX=... make the system repeat in the x direction
15			-y, --repeatY=... make the system repeat in the y direction
16			-z, --repeatZ=... make the system repeat in the z direction
17			-t, --translateX=... translate all x coordinates by some amount
18			-u, --translateY=... translate all y coordinates by some amount
19			-v, --translateZ=... translate all z coordinates by some amount
20	gezelter	1227
21			Example:
22	gezelter	1383	md2md -m lipidSystem.md -o bigLipidSystem.md -x 2 -y 2 -z 1 -v 35.0
23	gezelter	1227
24			"""
25
26			__author__ = "Dan Gezelter (gezelter@nd.edu)"
27	gezelter	1442	__version__ = "$Revision$"
28			__date__ = "$Date$"
29	gezelter	1383	__copyright__ = "Copyright (c) 2009 by the University of Notre Dame"
30	gezelter	1390	__license__ = "OpenMD"
31	gezelter	1227
32			import sys
33			import getopt
34			import string
35			import math
36			import random
37			from sets import *
38
39			metaData = []
40			frameData = []
41			indices = []
42			pvqj = []
43			p = []
44			v = []
45			q = []
46			j = []
47			Hmat = []
48			BoxInv = []
49
50			def usage():
51			print __doc__
52
53			def readFile(mdFileName):
54			mdFile = open(mdFileName, 'r')
55	gezelter	1390	# Find OpenMD version info first
56	gezelter	1227	line = mdFile.readline()
57			while 1:
58	gezelter	1390	if '<OOPSE version=' in line or '<OpenMD version=' in line:
59			OpenMDversion = line
60	gezelter	1227	break
61			line = mdFile.readline()
62
63			# Rewind file and find start of MetaData block
64
65			mdFile.seek(0)
66			line = mdFile.readline()
67			print "reading MetaData"
68			while 1:
69			if '<MetaData>' in line:
70			while 2:
71			metaData.append(line)
72			line = mdFile.readline()
73			if '</MetaData>' in line:
74			metaData.append(line)
75			break
76			break
77			line = mdFile.readline()
78
79			mdFile.seek(0)
80			print "reading Snapshot"
81			line = mdFile.readline()
82			while 1:
83			if '<Snapshot>' in line:
84			line = mdFile.readline()
85			while 1:
86			print "reading FrameData"
87			if '<FrameData>' in line:
88			while 2:
89			frameData.append(line)
90			if 'Hmat:' in line:
91			L = line.split()
92			Hxx = float(L[2].strip(','))
93			Hxy = float(L[3].strip(','))
94			Hxz = float(L[4].strip(','))
95			Hyx = float(L[7].strip(','))
96			Hyy = float(L[8].strip(','))
97			Hyz = float(L[9].strip(','))
98			Hzx = float(L[12].strip(','))
99			Hzy = float(L[13].strip(','))
100			Hzz = float(L[14].strip(','))
101			Hmat.append([Hxx, Hxy, Hxz])
102			Hmat.append([Hyx, Hyy, Hyz])
103			Hmat.append([Hzx, Hzy, Hzz])
104			BoxInv.append(1.0/Hxx)
105			BoxInv.append(1.0/Hyy)
106			BoxInv.append(1.0/Hzz)
107			line = mdFile.readline()
108			if '</FrameData>' in line:
109			frameData.append(line)
110			break
111			break
112
113			line = mdFile.readline()
114			while 1:
115			if '<StuntDoubles>' in line:
116			line = mdFile.readline()
117			while 2:
118			L = line.split()
119			myIndex = int(L[0])
120			indices.append(myIndex)
121			pvqj.append(L[1])
122	gezelter	2041	if 'p' in L[1]:
123			x = float(L[2])
124			y = float(L[3])
125			z = float(L[4])
126			p.append([x, y, z])
127			else:
128			p.append([0.0, 0.0, 0.0])
129			if 'v' in L[1]:
130			vx = float(L[5])
131			vy = float(L[6])
132			vz = float(L[7])
133			v.append([vx, vy, vz])
134			else:
135			v.append([0.0, 0.0, 0.0])
136			if 'q' in L[1]:
137	gezelter	1227	qw = float(L[8])
138			qx = float(L[9])
139			qy = float(L[10])
140			qz = float(L[11])
141			q.append([qw, qx, qy, qz])
142	gezelter	2041	else:
143			q.append([0.0, 0.0, 0.0, 0.0])
144			if 'j' in L[1]:
145	gezelter	1227	jx = float(L[12])
146			jy = float(L[13])
147			jz = float(L[14])
148			j.append([jx, jy, jz])
149			else:
150			j.append([0.0, 0.0, 0.0])
151
152			line = mdFile.readline()
153			if '</StuntDoubles>' in line:
154			break
155			break
156			line = mdFile.readline()
157			if not line: break
158
159			mdFile.close()
160
161	gezelter	1383	def writeFile(outputFileName,repeatX,repeatY,repeatZ):
162	gezelter	1227	outputFile = open(outputFileName, 'w')
163
164	gezelter	1390	outputFile.write("<OpenMD version=1>\n");
165	gezelter	1227
166			print "writing MetaData"
167			for metaline in metaData:
168			if 'nMol' in metaline:
169			metasplit = metaline.split()
170			nMol = float(metasplit[2].strip(';'))
171			newNmol = nMol * repeatX * repeatY * repeatZ
172			outputFile.write(' nMol = %10d;\n' % (newNmol))
173			else:
174			outputFile.write(metaline)
175
176			print "writing Snapshot"
177			outputFile.write(" <Snapshot>\n")
178
179			print "writing FrameData"
180			for frameline in frameData:
181			if 'Hmat:' in frameline:
182			myH = []
183			myH.append([repeatX * Hmat[0][0], repeatX * Hmat[0][1], repeatX * Hmat[0][2]])
184			myH.append([repeatY * Hmat[1][0], repeatY * Hmat[1][1], repeatY * Hmat[1][2]])
185			myH.append([repeatZ * Hmat[2][0], repeatZ * Hmat[2][1], repeatZ * Hmat[2][2]])
186			outputFile.write(" Hmat: {{ %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }}\n" % (myH[0][0], myH[0][1], myH[0][2], myH[1][0], myH[1][1], myH[1][2], myH[2][0], myH[2][1], myH[2][2]))
187			else:
188			outputFile.write(frameline)
189
190			print "writing StuntDoubles"
191			outputFile.write(" <StuntDoubles>\n")
192
193	xsun	1243	print repeatX, repeatY, repeatZ
194
195	gezelter	1383	deco = [ (index, i) for i, index in enumerate(indices) ]
196			deco.sort()
197			whichSD = 0
198	gezelter	1390	for ii in range(repeatX):
199			for jj in range(repeatY):
200			for kk in range(repeatZ):
201			for index in range(len(deco)):
202			(index,i) = deco[index]
203			print i
204	gezelter	1383	myP = []
205			myP.append(p[i][0] + iiHmat[0][0] + jjHmat[1][0] + kk*Hmat[2][0])
206			myP.append(p[i][1] + iiHmat[0][1] + jjHmat[1][1] + kk*Hmat[2][1])
207			myP.append(p[i][2] + iiHmat[0][2] + jjHmat[1][2] + kk*Hmat[2][2])
208	gezelter	2041
209			if (pvqj[i] == 'p'):
210			outputFile.write("%10d %7s %18.10g %18.10g %18.10g\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2]))
211
212			elif (pvqj[i] == 'pv'):
213			outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], v[i][0], v[i][1], v[i][2]))
214			elif (pvqj[i] == 'pq'):
215			outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], q[i][0], q[i][1], q[i][2], q[i][3]))
216	gezelter	1383	elif (pvqj[i] == 'pvqj'):
217			outputFile.write("%10d %7s %18.10g %18.10g %18.10g %13e %13e %13e %13e %13e %13e %13e %13e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], v[i][0], v[i][1], v[i][2], q[i][0], q[i][1], q[i][2], q[i][3], j[i][0], j[i][1], j[i][2]))
218			whichSD = whichSD + 1
219	gezelter	1227
220			outputFile.write(" </StuntDoubles>\n")
221			outputFile.write(" </Snapshot>\n")
222	gezelter	1390	outputFile.write("</OpenMD>\n")
223	gezelter	1227	outputFile.close()
224
225			def roundMe(x):
226			if (x >= 0.0):
227			return math.floor(x + 0.5)
228			else:
229			return math.ceil(x - 0.5)
230
231			def wrapVector(myVect):
232			scaled = [0.0, 0.0, 0.0]
233			for i in range(3):
234			scaled[i] = myVect[i] * BoxInv[i]
235			scaled[i] = scaled[i] - roundMe(scaled[i])
236			myVect[i] = scaled[i] * Hmat[i][i]
237			return myVect
238
239			def dot(L1, L2):
240			myDot = 0.0
241			for i in range(len(L1)):
242			myDot = myDot + L1[i]*L2[i]
243			return myDot
244
245			def normalize(L1):
246			L2 = []
247			myLength = math.sqrt(dot(L1, L1))
248			for i in range(len(L1)):
249			L2.append(L1[i] / myLength)
250			return L2
251
252			def cross(L1, L2):
253			# don't call this with anything other than length 3 lists please
254			# or you'll be sorry
255			L3 = [0.0, 0.0, 0.0]
256			L3[0] = L1[1]L2[2] - L1[2]L2[1]
257			L3[1] = L1[2]L2[0] - L1[0]L2[2]
258			L3[2] = L1[0]L2[1] - L1[1]L2[0]
259			return L3
260
261	gezelter	1383	def mapToBox(translateX, translateY, translateZ):
262			print "translating by %f\t%f\t%f" % (translateX, translateY, translateZ)
263	gezelter	1227	for i in range(len(indices)):
264	gezelter	1383	dpos = []
265			dpos.append(p[i][0] + translateX)
266			dpos.append(p[i][1] + translateY)
267			dpos.append(p[i][2] + translateZ)
268	gezelter	1227	p[i] = wrapVector(dpos)
269
270			def main(argv):
271	gezelter	1383	repeatX = 1
272			repeatY = 1
273			repeatZ = 1
274			translateX = 0.0
275			translateY = 0.0
276			translateZ = 0.0
277			_haveMDFileName = 0
278			_haveOutputFileName = 0
279	gezelter	1227	try:
280	gezelter	1383	opts, args = getopt.getopt(argv, "hm:o:x:y:z:t:u:v:", ["help", "meta-data=", "output-file=", "repeatX=", "repeatY=", "repeatZ=","translateX=","translateY=","translateZ="])
281	gezelter	1227	except getopt.GetoptError:
282			usage()
283			sys.exit(2)
284			for opt, arg in opts:
285			if opt in ("-h", "--help"):
286			usage()
287			sys.exit()
288			elif opt in ("-m", "--meta-data"):
289			mdFileName = arg
290			_haveMDFileName = 1
291			elif opt in ("-o", "--output-file"):
292			outputFileName = arg
293			_haveOutputFileName = 1
294	xsun	1243	elif opt in ("-x", "--repeatX"):
295	gezelter	1227	repeatX = int(arg)
296			elif opt in ("-y", "--repeatY"):
297			repeatY = int(arg)
298			elif opt in ("-z", "--repeatZ"):
299			repeatZ = int(arg)
300	gezelter	1383	elif opt in ("-t", "--translateX"):
301			translateX = float(arg)
302			elif opt in ("-u", "--translateY"):
303			translateY = float(arg)
304			elif opt in ("-v", "--translateZ"):
305			translateZ = float(arg)
306	gezelter	1227	if (_haveMDFileName != 1):
307			usage()
308			print "No meta-data file was specified"
309			sys.exit()
310			if (_haveOutputFileName != 1):
311			usage()
312			print "No output file was specified"
313			sys.exit()
314	chuckv	1293
315	gezelter	1227	readFile(mdFileName)
316	gezelter	1383	mapToBox(translateX, translateY, translateZ)
317			writeFile(outputFileName, repeatX, repeatY, repeatZ)
318	gezelter	1227
319			if __name__ == "__main__":
320			if len(sys.argv) == 1:
321			usage()
322			sys.exit()
323			main(sys.argv[1:])