Changeset 520 for trunk/GSASIIlattice.py
- Timestamp:
- Mar 14, 2012 3:17:17 PM (11 years ago)
- File:
-
- 1 edited
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trunk/GSASIIlattice.py
r432 r520 590 590 HKL.append([h,k,l,rdsq2d(rdsq,6),-1]) 591 591 return sortHKLd(HKL,True,False) 592 593 def getHKLmax(dmin,SGData,A): 594 #finds maximum allowed hkl for given A within dmin 595 SGLaue = SGData['SGLaue'] 596 if SGLaue in ['3R','3mR']: #Rhombohedral axes 597 Hmax = [0,0,0] 598 cell = A2cell(A) 599 aHx = cell[0]*math.sqrt(2.0*(1.0-cosd(cell[3]))) 600 cHx = cell[0]*math.sqrt(3.0*(1.0+2.0*cosd(cell[3]))) 601 Hmax[0] = Hmax[1] = int(round(aHx/dmin)) 602 Hmax[2] = int(round(cHx/dmin)) 603 #print Hmax,aHx,cHx 604 else: # all others 605 Hmax = MaxIndex(dmin,A) 606 return Hmax 592 607 593 608 def GenHLaue(dmin,SGData,A): … … 614 629 SGUniq = SGData['SGUniq'] 615 630 #finds maximum allowed hkl for given A within dmin 616 if SGLaue in ['3R','3mR']: #Rhombohedral axes 617 Hmax = [0,0,0] 618 cell = A2cell(A) 619 aHx = cell[0]*math.sqrt(2.0*(1.0-cosd(cell[3]))) 620 cHx = cell[0]*math.sqrt(3.0*(1.0+2.0*cosd(cell[3]))) 621 Hmax[0] = Hmax[1] = int(round(aHx/dmin)) 622 Hmax[2] = int(round(cHx/dmin)) 623 #print Hmax,aHx,cHx 624 else: # all others 625 Hmax = MaxIndex(dmin,A) 631 Hmax = getHKLmax(dmin,SGData,A) 626 632 627 633 dminsq = 1./(dmin**2)
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