Changeset 2319


Ignore:
Timestamp:
Jun 14, 2016 6:17:31 AM (5 years ago)
Author:
vondreele
Message:

remove stray print & add \n to Dist argument for better column heading
fix symm problem in CalcDist? for seq distances

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIgrid.py

    r2318 r2319  
    27662766           
    27672767    def AddNewDistPseudoVar(event):
    2768         print 'Add bond distance pseudo-variable here - TBD'
    27692768        obj = None
    27702769        dlg = G2exG.BondDialog(
     
    27962795                # create an expression object
    27972796                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(' ',''))
    27992798                obj.distance_dict = {'pId':pId,'SGData':SGData,'symNo':symNo,'cellNo':cellNo}
    28002799                obj.distance_atoms = [oId,tId]
  • trunk/GSASIImath.py

    r2318 r2319  
    15221522    op = symNo%100-1
    15231523    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]
    15271525    D += distance_dict['cellNo']
    1528     Txyz = np.inner(M,Txyz)+D
     1526    Txyz = np.inner(M*inv,Txyz)+D
    15291527    dist = np.sqrt(np.sum(np.inner(Amat,(Txyz-Oxyz))**2))
    15301528#    GSASIIpath.IPyBreak()
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