| 22 |
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""" |
| 23 |
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|
| 24 |
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__author__ = "Dan Gezelter (gezelter@nd.edu)" |
| 25 |
< |
__version__ = "$Revision: 1.1 $" |
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< |
__date__ = "$Date: 2008-02-13 16:44:14 $" |
| 25 |
> |
__version__ = "$Revision: 1.2 $" |
| 26 |
> |
__date__ = "$Date: 2008-05-14 20:49:17 $" |
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__copyright__ = "Copyright (c) 2008 by the University of Notre Dame" |
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__license__ = "OOPSE" |
| 29 |
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|
| 188 |
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outputFile.write(" <StuntDoubles>\n") |
| 189 |
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whichSD = 0 |
| 190 |
|
|
| 191 |
+ |
print repeatX, repeatY, repeatZ |
| 192 |
+ |
|
| 193 |
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for i in range(len(indices)): |
| 194 |
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for ii in range(repeatX): |
| 195 |
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for jj in range(repeatY): |
| 196 |
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for kk in range(repeatZ): |
| 197 |
< |
|
| 198 |
< |
myP = p[i] + ii*Hmat[0] + jj*Hmat[1] + kk*Hmat[2] |
| 197 |
> |
|
| 198 |
> |
myP = [] |
| 199 |
> |
myP.append(p[i][0] + ii*Hmat[0][0] + jj*Hmat[1][0] + kk*Hmat[2][0]) |
| 200 |
> |
myP.append(p[i][1] + ii*Hmat[0][1] + jj*Hmat[1][1] + kk*Hmat[2][1]) |
| 201 |
> |
myP.append(p[i][2] + ii*Hmat[0][2] + jj*Hmat[1][2] + kk*Hmat[2][2]) |
| 202 |
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|
| 203 |
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if (pvqj[i] == 'pv'): |
| 204 |
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outputFile.write("%10d %7s %18.10g %18.10g %18.10g %14e %13e %13e\n" % (whichSD, pvqj[i], myP[0], myP[1], myP[2], v[i][0], v[i][1], v[i][2])) |
| 205 |
< |
elif (sdFormat == 'pvqj'): |
| 205 |
> |
elif (pvqj[i] == 'pvqj'): |
| 206 |
|
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])) |
| 207 |
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|
| 208 |
|
whichSD = whichSD + 1 |
| 272 |
|
outputFileName = arg |
| 273 |
|
global _haveOutputFileName |
| 274 |
|
_haveOutputFileName = 1 |
| 275 |
< |
elif opt in ("-x", "--repeatX"): |
| 275 |
> |
elif opt in ("-x", "--repeatX"): |
| 276 |
> |
global repeatX |
| 277 |
|
repeatX = int(arg) |
| 278 |
|
elif opt in ("-y", "--repeatY"): |
| 279 |
+ |
global repeatY |
| 280 |
|
repeatY = int(arg) |
| 281 |
|
elif opt in ("-z", "--repeatZ"): |
| 282 |
+ |
global repeatZ |
| 283 |
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repeatZ = int(arg) |
| 284 |
|
if (_haveMDFileName != 1): |
| 285 |
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usage() |
