source: trunk/GSASIIsolve.py @ 451

Last change on this file since 451 was 230, checked in by vondreele, 14 years ago

add svn keywords & add log intensity plotting

  • Property svn:keywords set to Date Author Revision URL Id
File size: 1.4 KB
Line 
1#GSASIIsolve - structure solving routines
2########### SVN repository information ###################
3# $Date: 2011-01-07 19:27:24 +0000 (Fri, 07 Jan 2011) $
4# $Author: vondreele $
5# $Revision: 230 $
6# $URL: trunk/GSASIIsolve.py $
7# $Id: GSASIIsolve.py 230 2011-01-07 19:27:24Z vondreele $
8########### SVN repository information ###################
9import sys
10import os.path as ospath
11import numpy as np
12import cPickle
13import time
14import math
15import GSASIIpath
16import GSASIIElem as G2el
17import GSASIIlattice as G2lat
18import GSASIIspc as G2spc
19import GSASIIstruct as G2str
20
21def ShowBanner():
22    print 80*'*'
23    print '    General Structure Analysis System-II Crystal Structure Solution'
24    print '     by Robert B. Von Dreele, Argonne National Laboratory(C), 2010'
25    print ' This product includes software developed by the UChicago Argonne, LLC,' 
26    print '            as Operator of Argonne National Laboratory.'
27    print 80*'*','\n'
28   
29def ShowControls(Controls):
30    print ' Controls:'
31   
32def Solve(GPXfile):
33    ShowBanner()
34    Controls = G2str.GetControls(GPXfile)
35    ShowControls(Controls)
36       
37def main():
38    arg = sys.argv
39    if len(arg) > 1:
40        GPXfile = arg[1]
41        if not ospath.exists(GPXfile):
42            print 'ERROR - ',GPXfile," doesn't exist!"
43            exit()
44        GPXpath = ospath.dirname(arg[1])
45        Solve(GPXfile)
46    else:
47        print 'ERROR - missing filename'
48        exit()
49    print "Done"
50         
51if __name__ == '__main__':
52    main()
53
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