Changeset 2600
- Timestamp:
- Dec 22, 2016 11:14:21 AM (5 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIphsGUI.py
r2594 r2600 801 801 magSizer = wx.BoxSizer(wx.VERTICAL) 802 802 magSizer.Add(wx.StaticText(General,label=' Magnetic spin operator selection:'),0,WACV) 803 magSizer.Add(wx.StaticText(General,label=' NB: UNDER CONSTRUCTION - LS NOT FINISHED'),0,WACV)804 803 if not len(GenSym): 805 804 magSizer.Add(wx.StaticText(General,label=' No spin inversion allowed'),0,WACV) -
trunk/GSASIIplot.py
r2599 r2600 5568 5568 x,y,z = xyz 5569 5569 r,c = rc 5570 GL.glColor3 ubv(c)5570 GL.glColor3fv(c/255.) 5571 5571 GL.glPointSize(r*50) 5572 5572 GL.glBegin(GL.GL_POINTS) … … 5736 5736 if rho[I,J,K] < 0.: 5737 5737 XYZ.append(xyz) 5738 RC.append([0. 1*alpha,2*Rd])5738 RC.append([0.2*alpha,2*Or]) 5739 5739 else: 5740 5740 XYZ.append(xyz) 5741 RC.append([0. 1*alpha,2*Gr])5741 RC.append([0.2*alpha,2*Gr]) 5742 5742 RenderDots(XYZ,RC) 5743 5743 GL.glShadeModel(GL.GL_SMOOTH) -
trunk/GSASIIpwd.py
r2597 r2600 539 539 def getWidthsCW(pos,sig,gam,shl): 540 540 '''Compute the peak widths used for computing the range of a peak 541 for constant wavelength data. On low-angle side, 10 FWHM are used,542 on high-angle side 15 are used, low angle side extended byaxial divergence541 for constant wavelength data. On low-angle side, 50 FWHM are used, 542 on high-angle side 75 are used, low angle side extended for axial divergence 543 543 (for peaks above 90 deg, these are reversed.) 544 544 ''' 545 545 widths = [np.sqrt(sig)/100.,gam/100.] 546 546 fwhm = 2.355*widths[0]+widths[1] 547 fmin = 100.*(fwhm+shl*abs(npcosd(pos)))548 fmax = 150.0*fwhm547 fmin = 50.*(fwhm+shl*abs(npcosd(pos))) 548 fmax = 75.0*fwhm 549 549 if pos > 90: 550 550 fmin,fmax = [fmax,fmin] … … 553 553 def getWidthsTOF(pos,alp,bet,sig,gam): 554 554 '''Compute the peak widths used for computing the range of a peak 555 for constant wavelength data. 10 FWHM are used on both sides each555 for constant wavelength data. 50 FWHM are used on both sides each 556 556 extended by exponential coeff. 557 557 ''' 558 558 widths = [np.sqrt(sig),gam] 559 559 fwhm = 2.355*widths[0]+2.*widths[1] 560 fmin = 30.*fwhm*(1.+1./alp)561 fmax = 30.*fwhm*(1.+1./bet)560 fmin = 50.*fwhm*(1.+1./alp) 561 fmax = 50.*fwhm*(1.+1./bet) 562 562 return widths,fmin,fmax 563 563
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