Changeset 1571 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Nov 15, 2014 12:01:30 PM (7 years ago)
Author:
vondreele
Message:

fix typos in small angle tutorials
add menu with copy & reset to instrument parameters for SASD data
copy masks now copies the lower threshold
work on indexing incommensurate powder patterns, plots

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r1551 r1571  
    804804        if not ext:
    805805            HKLs.append([h,k,l,d,-1])
     806    return HKLs
     807
     808def getHKLMpeak(dmin,SGData,SSGData,Vec,maxH,A):
     809    'needs a doc string'
     810    HKL = G2lat.GenHLaue(dmin,SGData,A)       
     811    HKLs = []
     812    vec = np.array(Vec)
     813    SSdH = [vec*h for h in range(-maxH,maxH+1)]
     814    SSdH = dict(zip(range(-maxH,maxH+1),SSdH))
     815    for h,k,l,d in HKL:
     816        ext = G2spc.GenHKLf([h,k,l],SGData)[0]
     817        if not ext:
     818            HKLs.append([h,k,l,0,d,-1])
     819        for dH in SSdH:
     820            if dH:
     821                DH = SSdH[dH]
     822                H = [h+DH[0],k+DH[1],l+DH[2]]
     823                d = 1/np.sqrt(G2lat.calc_rDsq(H,A))
     824                if d >= dmin:
     825                    HKLs.append([h,k,l,dH,d,-1])
    806826    return HKLs
    807827
     
    12101230        if peak[2] and peak[3]:
    12111231            peakPos.append(peak[0])
    1212             peakDsp.append(peak[8])
     1232            peakDsp.append(peak[-1])    #d-calc
    12131233            peakWt.append(1/sig**2)
    12141234    peakPos = np.array(peakPos)
Note: See TracChangeset for help on using the changeset viewer.