Changeset 927


Ignore:
Timestamp:
May 20, 2013 11:06:42 AM (10 years ago)
Author:
vondreele
Message:

more G2str fixes

Location:
trunk
Files:
7 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIIconstrGUI.py

    r923 r927  
    2727import GSASIIElem as G2elem
    2828import GSASIIElemGUI as G2elemGUI
    29 import GSASIIstruct as G2str
     29import GSASIIstrIO as G2stIO
    3030import GSASIImapvars as G2mv
    3131import GSASIIgrid as G2gd
    … …  
    112112        G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Rigid bodies'))
    113113    rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
    114     rbVary,rbDict = G2str.GetRigidBodyModels(rigidbodyDict,Print=False)
     114    rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False)
    115115    globalList = rbDict.keys()
    116116    globalList.sort()
    117117    AtomDict = dict([Phases[phase]['pId'],Phases[phase]['Atoms']] for phase in Phases)
    118     Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2str.GetPhaseData(Phases,rbIds=rbIds,Print=False)
     118    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2stIO.GetPhaseData(Phases,rbIds=rbIds,Print=False)
    119119    phaseList = []
    120120    for item in phaseDict:
    … …  
    137137            phaseAtTypes[item] = ''
    138138           
    139     hapVary,hapDict,controlDict = G2str.GetHistogramPhaseData(Phases,Histograms,Print=False)
     139    hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histograms,Print=False)
    140140    hapList = hapDict.keys()
    141141    hapList.sort()
    142     histVary,histDict,controlDict = G2str.GetHistogramData(Histograms,Print=False)
     142    histVary,histDict,controlDict = G2stIO.GetHistogramData(Histograms,Print=False)
    143143    histList = []
    144144    for item in histDict:
    … …  
    280280        if not len(allcons): return True
    281281        G2mv.InitVars()   
    282         constDictList,fixedList,ignored = G2str.ProcessConstraints(allcons)
     282        constDictList,fixedList,ignored = G2stIO.ProcessConstraints(allcons)
    283283        errmsg, warnmsg = G2mv.CheckConstraints('',constDictList,fixedList)
    284284        if errmsg:
    … …  
    305305        if not len(allcons): return True
    306306        G2mv.InitVars()   
    307         constDictList,fixedList,ignored = G2str.ProcessConstraints(allcons)
     307        constDictList,fixedList,ignored = G2stIO.ProcessConstraints(allcons)
    308308        errmsg, warnmsg = G2mv.CheckConstraints('',constDictList,fixedList)
    309309        if errmsg:

  • trunk/GSASIIddataGUI.py

    r923 r927  
    3636import GSASIIgrid as G2gd
    3737import GSASIIIO as G2IO
    38 import GSASIIstruct as G2str
    3938import GSASIImath as G2mth
    4039import GSASIIpwd as G2pwd

  • trunk/GSASIIgrid.py

    r923 r927  
    3535import GSASIIimgGUI as G2imG
    3636import GSASIIphsGUI as G2phG
    37 import GSASIIstruct as G2str
    3837import GSASIIspc as G2spc
    3938import GSASIImapvars as G2mv

  • trunk/GSASIIphsGUI.py

    r925 r927  
    3939import GSASIIgrid as G2gd
    4040import GSASIIIO as G2IO
    41 import GSASIIstruct as G2str
     41import GSASIIstrMain as G2stMn
    4242import GSASIImath as G2mth
    4343import GSASIIpwd as G2pwd
    … …  
    15571557                DisAglData['covData'] = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.root, 'Covariance'))
    15581558            try:
    1559                 G2str.DistAngle(DisAglCtls,DisAglData)
     1559                G2stMn.DistAngle(DisAglCtls,DisAglData)
    15601560            except KeyError:        # inside DistAngle for missing atom types in DisAglCtls
    15611561                print '**** ERROR - try again but do "Reset" to fill in missing atom types ****'
    … …  
    23972397        PlaneData['Atoms'] = xyz
    23982398        PlaneData['Cell'] = generalData['Cell'][1:] #+ volume
    2399         G2str.BestPlane(PlaneData)
     2399        G2stMn.BestPlane(PlaneData)
    24002400       
    24012401    def OnDrawDistVP(event):
    … …  
    24522452            DATData['pId'] = data['pId']
    24532453            DATData['covData'] = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.root, 'Covariance'))
    2454         G2str.DisAglTor(DATData)
     2454        G2stMn.DisAglTor(DATData)
    24552455               
    24562456################################################################################

  • trunk/GSASIIsolve.py

    r762 r927  
    1919import GSASIIlattice as G2lat
    2020import GSASIIspc as G2spc
    21 import GSASIIstruct as G2str
     21import GSASIIstrIO as G2stIO
    2222
    2323def ShowBanner():
    … …  
    3535def Solve(GPXfile):
    3636    ShowBanner()
    37     Controls = G2str.GetControls(GPXfile)
     37    Controls = G2stIO.GetControls(GPXfile)
    3838    ShowControls(Controls)
    3939       

  • trunk/GSASIIstrMath.py

    r926 r927  
    88# $Id: GSASIIstrMath.py 920 2013-05-17 17:13:15Z vondreele $
    99########### SVN repository information ###################
    10 import sys
    11 import os
    12 import os.path as ospath
    1310import time
    1411import math
    1512import copy
    16 import random
    17 import cPickle
    1813import numpy as np
    1914import numpy.ma as ma

  • trunk/testDeriv.py

    r926 r927  
    1010import matplotlib as mpl
    1111import GSASIIpath
    12 import GSASIIstruct as G2st
     12import GSASIIstrMath as G2stMth
    1313import GSASIItestplot as plot
    1414import pytexture as ptx
    … …  
    133133        def test1():
    134134            fplot = self.plotNB.add('function test').gca()
    135             M = G2st.errRefine(self.values,self.HistoPhases,
     135            M = G2stMth.errRefine(self.values,self.HistoPhases,
    136136                self.parmDict,self.varylist,self.calcControls,
    137137                self.pawleyLookup,None)
    … …  
    141141        def test2(name,delt):
    142142            hplot = self.plotNB.add('derivatives test for '+name).gca()
    143             dMdV = G2st.dervRefine(self.values,self.HistoPhases,self.parmDict,
     143            dMdV = G2stMth.dervRefine(self.values,self.HistoPhases,self.parmDict,
    144144                self.varylist,self.calcControls,self.pawleyLookup,None)
    145145            hplot.plot(dMdV[self.varylist.index(name)],'b',label='analytic deriv')
    146146            if name in self.varylist:
    147147                self.values[self.varylist.index(name)] -= delt
    148                 M0 = G2st.errRefine(self.values,self.HistoPhases,self.parmDict,
     148                M0 = G2stMth.errRefine(self.values,self.HistoPhases,self.parmDict,
    149149                    self.varylist,self.calcControls,self.pawleyLookup,None)
    150150                self.values[self.varylist.index(name)] += 2.*delt
    151                 M1 = G2st.errRefine(self.values,self.HistoPhases,self.parmDict,
     151                M1 = G2stMth.errRefine(self.values,self.HistoPhases,self.parmDict,
    152152                    self.varylist,self.calcControls,self.pawleyLookup,None)
    153153                self.values[self.varylist.index(name)] -= delt   
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