source: trunk/GSASIIsolve.py @ 661

Last change on this file since 661 was 661, checked in by toby, 10 years ago

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1# -*- coding: utf-8 -*-
2#GSASIIsolve - structure solving routines
3########### SVN repository information ###################
4# $Date: 2012-06-29 21:24:59 +0000 (Fri, 29 Jun 2012) $
5# $Author: toby $
6# $Revision: 661 $
7# $URL: trunk/GSASIIsolve.py $
8# $Id: GSASIIsolve.py 661 2012-06-29 21:24:59Z toby $
9########### SVN repository information ###################
10import sys
11import os.path as ospath
12import numpy as np
13import cPickle
14import time
15import math
16import GSASIIpath
17GSASIIpath.SetVersionNumber("$Revision: 661 $")
18import GSASIIElem as G2el
19import GSASIIlattice as G2lat
20import GSASIIspc as G2spc
21import GSASIIstruct as G2str
22
23def ShowBanner():
24    print 80*'*'
25    print '    General Structure Analysis System-II Crystal Structure Solution'
26    print '              by Robert B. Von Dreele & Brian H. Toby'
27    print '                Argonne National Laboratory(C), 2010'
28    print ' This product includes software developed by the UChicago Argonne, LLC,' 
29    print '            as Operator of Argonne National Laboratory.'
30    print 80*'*','\n'
31   
32def ShowControls(Controls):
33    print ' Controls:'
34   
35def Solve(GPXfile):
36    ShowBanner()
37    Controls = G2str.GetControls(GPXfile)
38    ShowControls(Controls)
39       
40def main():
41    arg = sys.argv
42    if len(arg) > 1:
43        GPXfile = arg[1]
44        if not ospath.exists(GPXfile):
45            print 'ERROR - ',GPXfile," doesn't exist!"
46            exit()
47        GPXpath = ospath.dirname(arg[1])
48        Solve(GPXfile)
49    else:
50        print 'ERROR - missing filename'
51        exit()
52    print "Done"
53         
54if __name__ == '__main__':
55    main()
56
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