Changeset 3231 for trunk/GSASIIindex.py


Ignore:
Timestamp:
Jan 18, 2018 11:08:54 AM (4 years ago)
Author:
vondreele
Message:

fix bug in IndexPeaks? display
fix import pypowder issue in G2math
fix ssSpaceGroup call in G2obj
add a dmax to Pawley controls; eliminate reflections with d>dmax (useful for TOF)
change reflist to be sorted as found in tree; used for Fourier, Charge flip & MCSA controls
add a buttonHandler to PlotXYZ to retrieve cursor position on generic 2D plots
use buttonHandler to get 2D modulation vector from plot & try it for indexing
fix a TOF modulation bug in getPowderProfile

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIindex.py

    r3227 r3231  
    305305    values = []
    306306    ranges = []
    307     dT = 0.005       #seems to be a good choice
     307    dT = 0.01       #seems to be a good choice
    308308    for v,r in zip(ssopt['ModVec'],Vref):
    309309        if r:
     
    390390            hkl = HKL[pos]                                 # put in hkl
    391391            if hkl[-1] >= 0:                                 # peak already assigned - test if this one better
    392                 opeak = Peaks[hkl[-1]]
     392                opeak = Peaks[int(hkl[-1])]
    393393                dold = abs(opeak[-2]-hkl[4])
    394394                dnew = min(dm,dp)
     
    581581    result = so.leastsq(errFitZSS,values,Dfun=dervFitZSS,full_output=True,ftol=1.e-6,
    582582        args=(ibrav,Peaks[8],Peaks[4:8],Peaks[0],wave,V,Vref,Z,Zref))
     583    print(result)
    583584    A = Values2A(ibrav,result[0])
    584585    Vec = Values2Vec(ibrav,V,Vref,result[0])
     
    675676    if Zref:
    676677        values.append(Z)
     678    print(values)
    677679    result = so.leastsq(errFitTSS,values,Dfun=dervFitTSS,full_output=True,ftol=0.0001,
    678680        args=(ibrav,Peaks[8],Peaks[4:8],Peaks[0],difC,V,Vref,Z,Zref))
     681    print(result)
    679682    A = Values2A(ibrav,result[0])
    680683    Vec = Values2Vec(ibrav,V,Vref,result[0])
Note: See TracChangeset for help on using the changeset viewer.