Changeset 4447 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
May 27, 2020 11:56:18 AM (17 months ago)
Author:
vondreele
Message:

change RMCProfie chi2 to log10 chi2 to match fulrmc chi2 plot
fix angle restraint generator for fullrmc - remove duplicates

File:
1 edited

Legend:

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  • trunk/GSASIIpwd.py

    r4440 r4447  
    25742574                XYZ = np.array(G2mth.GetAtomItemsById(atomData,AtLookup,IdList,cx,numItems=3))
    25752575                calAngle = G2mth.getRestAngle(XYZ,Amat)
    2576                 if angData[0] < calAngle < angData[1]:
    2577                     AngleList.append(str((MidName,nbr1[0],nbr3[0])+tuple(angData))+',\n')
     2576                if angData[0] <= calAngle <= angData[1]:
     2577                    angStr = str((MidName,nbr1[0],nbr3[0])+tuple(angData))+',\n'
     2578                    revangStr = str((MidName,nbr3[0],nbr1[0])+tuple(angData))+',\n'
     2579                    if angStr not in AngleList and revangStr not in AngleList:
     2580                        AngleList.append(angStr)
    25782581    return AngleList
    25792582
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