Changeset 2319
- Timestamp:
- Jun 14, 2016 6:17:31 AM (7 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIgrid.py
r2318 r2319 2766 2766 2767 2767 def AddNewDistPseudoVar(event): 2768 print 'Add bond distance pseudo-variable here - TBD'2769 2768 obj = None 2770 2769 dlg = G2exG.BondDialog( … … 2796 2795 # create an expression object 2797 2796 obj = G2obj.ExpressionObj() 2798 obj.expression = 'Dist(%s, %s)'%(Oatom,Tatom.split(' d=')[0].replace(' ',''))2797 obj.expression = 'Dist(%s,\n%s)'%(Oatom,Tatom.split(' d=')[0].replace(' ','')) 2799 2798 obj.distance_dict = {'pId':pId,'SGData':SGData,'symNo':symNo,'cellNo':cellNo} 2800 2799 obj.distance_atoms = [oId,tId] -
trunk/GSASIImath.py
r2318 r2319 1522 1522 op = symNo%100-1 1523 1523 M,T = distance_dict['SGData']['SGOps'][op] 1524 M *= inv 1525 T *= inv 1526 D = T+distance_dict['SGData']['SGCen'][cen] 1524 D = T*inv+distance_dict['SGData']['SGCen'][cen] 1527 1525 D += distance_dict['cellNo'] 1528 Txyz = np.inner(M ,Txyz)+D1526 Txyz = np.inner(M*inv,Txyz)+D 1529 1527 dist = np.sqrt(np.sum(np.inner(Amat,(Txyz-Oxyz))**2)) 1530 1528 # GSASIIpath.IPyBreak()
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