Changeset 1561


Ignore:
Timestamp:
Nov 4, 2014 10:59:58 AM (7 years ago)
Author:
vondreele
Message:

avoid error on startup with no file name
fix derivative errors for lattice parameters

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASII.py

    r1515 r1561  
    21112111        self.Tutorials = False      #used for changing default directory
    21122112        arg = sys.argv
    2113         if len(arg) > 1:
     2113        if len(arg) > 1 and arg[1]:
    21142114            self.GSASprojectfile = os.path.splitext(arg[1])[0]+'.gpx'
    21152115            self.dirname = os.path.dirname(arg[1])
     
    21202120                for item in self.Refine: item.Enable(True)
    21212121                self.EnableSeqRefineMenu()
    2122 
    21232122            except:
    21242123                print 'Error opening file',arg[1]
  • trunk/GSASIIspc.py

    r1559 r1561  
    13461346        elif uniq == 'c':
    13471347            DIJ[3] = HSvals[3]
    1348         return Dij
    13491348    else:
    13501349        DIJ = [HSvals[0],HSvals[1],HSvals[2],HSvals[3],HSvals[4],HSvals[5]]
  • trunk/GSASIIstrMath.py

    r1560 r1561  
    14001400        const = dpr/np.sqrt(1.0-wave**2*dstsq/4.0)
    14011401        dpdw = const*dst
    1402         dpdA = np.array([h**2,k**2,l**2,h*k,h*l,k*l])
    1403         dpdA *= const*wave/(2.0*dst)
     1402        dpdA = np.array([h**2,k**2,l**2,h*k,h*l,k*l])*const*wave/(2.0*dst)
    14041403        dpdZ = 1.0
    14051404        const = 9.e-2/(np.pi*parmDict[hfx+'Gonio. radius'])                  #shifts in microns
     
    14821481    if 'C' in calcControls[hfx+'histType']:
    14831482        for item in dDijDict:
    1484             dDijDict[item] *= -180.0*refl[4]**2*tand(refl[5]/2.0)/np.pi
     1483            dDijDict[item] *= 180.0*refl[4]**2*tand(refl[5]/2.0)/np.pi
    14851484    else:
    14861485        for item in dDijDict:
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