Changeset 1515 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Oct 3, 2014 10:38:49 AM (7 years ago)
Author:
vondreele
Message:

allow '#' comments in GSAS iparm files.
add class G2ColumnIDDialog for loading sample data for all histograms from a text file. This file has optional '#' comments followed by columns of data items each line begins with a file name that matches the file names for the histograms.
This class allows simple arithmetic modification of a column of data.
G2MultiChoiceDialog now allows selection of a block of items
Add 'Time' to Sample parameters - typically clock time
Further work on modulated structures
change default .gsa GSAS powder data extension to .gda - a lot more common.

File:
1 edited

Legend:

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  • trunk/GSASIIpwd.py

    r1496 r1515  
    12481248    InstPrint(Inst,sigDict)
    12491249           
    1250 def DoPeakFit(FitPgm,Peaks,Background,Limits,Inst,Inst2,data,oneCycle=False,controls=None,dlg=None):
     1250def DoPeakFit(FitPgm,Peaks,Background,Limits,Inst,Inst2,data,prevVaryList=[],oneCycle=False,controls=None,dlg=None):
    12511251    'needs a doc string'
    12521252       
     
    15011501    parmDict['Pdabc'] = []      #dummy Pdabc
    15021502    parmDict.update(Inst2)      #put in real one if there
    1503     varyList = bakVary+insVary+peakVary
     1503    if prevVaryList:
     1504        varyList = prevVaryList[:]
     1505    else:
     1506        varyList = bakVary+insVary+peakVary
     1507    fullvaryList = varyList[:]
    15041508    while True:
    15051509        begin = time.time()
    15061510        values =  np.array(Dict2Values(parmDict, varyList))
    15071511        Rvals = {}
     1512        badVary = []
    15081513        if FitPgm == 'LSQ':
    15091514            try:
     
    15321537                    if not np.sum(result[2]['fjac'],axis=1)[i]:
    15331538                        print 'Removing parameter: ',varyList[ipvt-1]
     1539                        badVary.append(varyList[ipvt-1])
    15341540                        del(varyList[ipvt-1])
    15351541                        break
     
    15481554    GetPeaksParms(Inst,parmDict,Peaks,varyList)   
    15491555    PeaksPrint(dataType,parmDict,sigDict,varyList)
    1550     return sigDict,result,sig,Rvals,varyList,parmDict
     1556    return sigDict,result,sig,Rvals,varyList,parmDict,fullvaryList,badVary
    15511557
    15521558def calcIncident(Iparm,xdata):
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