Changeset 2802 for trunk/GSASIIpwd.py
- Timestamp:
- Apr 23, 2017 9:30:38 PM (6 years ago)
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- 1 edited
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trunk/GSASIIpwd.py
r2800 r2802 70 70 def PhaseWtSum(G2frame,histo): 71 71 ''' 72 Calculate sum of phase mass* shase fraction for PWDR data (exclude magnetic phases)72 Calculate sum of phase mass*phase fraction for PWDR data (exclude magnetic phases) 73 73 74 74 :param G2frame: GSASII main frame structure 75 75 :param str histo: histogram name 76 :returns sum(scale*mass) for phases in histo76 :returns: sum(scale*mass) for phases in histo 77 77 ''' 78 78 Histograms,Phases = G2frame.GetUsedHistogramsAndPhasesfromTree() … … 2233 2233 Reflectometry as a function of kz for a set of slabs. 2234 2234 2235 :Parameters: 2236 2237 *kz* : float[n] | |1/Ang| 2238 Scattering vector $2\pi\sin(\theta)/\lambda$. This is $\tfrac12 Q_z$. 2239 *depth* : float[m] | |Ang| 2235 :param kz: float[n] (1/Ang). Scattering vector, :math:`2\pi\sin(\\theta)/\lambda`. 2236 This is :math:`\\tfrac12 Q_z`. 2237 :param depth: float[m] (Ang). 2240 2238 thickness of each layer. The thickness of the incident medium 2241 2239 and substrate are ignored. 2242 *rho*, *irho* : float[n,k] | |1e-6/Ang^2| 2243 real and imaginary scattering length density for each layer for each kz 2240 :param rho: float[n,k] (1e-6/Ang^2) 2241 Real scattering length density for each layer for each kz 2242 :param irho: float[n,k] (1e-6/Ang^2) 2243 Imaginary scattering length density for each layer for each kz 2244 2244 Note: absorption cross section mu = 2 irho/lambda for neutrons 2245 *sigma* : float[m-1] | |Ang|2245 :param sigma: float[m-1] (Ang) 2246 2246 interfacial roughness. This is the roughness between a layer 2247 2247 and the previous layer. The sigma array should have m-1 entries. … … 2368 2368 '''Simulate powder or selected area diffraction pattern from stacking faults using DIFFaX 2369 2369 2370 param: Layers dict: 'Laue':'-1','Cell':[False,1.,1.,1.,90.,90.,90,1.], 2371 'Width':[[10.,10.],[False,False]],'Toler':0.01,'AtInfo':{}, 2372 'Layers':[],'Stacking':[],'Transitions':[]} 2373 param: ctrls string: controls string to be written on DIFFaX controls.dif file 2374 param: scale float: scale factor 2375 param: background dict: background parameters 2376 param: limits list: min/max 2-theta to be calculated 2377 param: inst dict: instrument parameters dictionary 2378 param: profile list: powder pattern data 2379 2380 all updated in place 2370 :param dict Layers: dict with following items 2371 2372 :: 2373 2374 {'Laue':'-1','Cell':[False,1.,1.,1.,90.,90.,90,1.], 2375 'Width':[[10.,10.],[False,False]],'Toler':0.01,'AtInfo':{}, 2376 'Layers':[],'Stacking':[],'Transitions':[]} 2377 2378 :param str ctrls: controls string to be written on DIFFaX controls.dif file 2379 :param float scale: scale factor 2380 :param dict background: background parameters 2381 :param list limits: min/max 2-theta to be calculated 2382 :param dict inst: instrument parameters dictionary 2383 :param list profile: powder pattern data 2384 2385 Note that parameters all updated in place 2381 2386 ''' 2382 2387 import atmdata
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