Changeset 927
- Timestamp:
- May 20, 2013 11:06:42 AM (10 years ago)
- Location:
- trunk
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIconstrGUI.py
r923 r927 27 27 import GSASIIElem as G2elem 28 28 import GSASIIElemGUI as G2elemGUI 29 import GSASIIstr uct as G2str29 import GSASIIstrIO as G2stIO 30 30 import GSASIImapvars as G2mv 31 31 import GSASIIgrid as G2gd … … 112 112 G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Rigid bodies')) 113 113 rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]}) 114 rbVary,rbDict = G2st r.GetRigidBodyModels(rigidbodyDict,Print=False)114 rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False) 115 115 globalList = rbDict.keys() 116 116 globalList.sort() 117 117 AtomDict = dict([Phases[phase]['pId'],Phases[phase]['Atoms']] for phase in Phases) 118 Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2st r.GetPhaseData(Phases,rbIds=rbIds,Print=False)118 Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2stIO.GetPhaseData(Phases,rbIds=rbIds,Print=False) 119 119 phaseList = [] 120 120 for item in phaseDict: … … 137 137 phaseAtTypes[item] = '' 138 138 139 hapVary,hapDict,controlDict = G2st r.GetHistogramPhaseData(Phases,Histograms,Print=False)139 hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histograms,Print=False) 140 140 hapList = hapDict.keys() 141 141 hapList.sort() 142 histVary,histDict,controlDict = G2st r.GetHistogramData(Histograms,Print=False)142 histVary,histDict,controlDict = G2stIO.GetHistogramData(Histograms,Print=False) 143 143 histList = [] 144 144 for item in histDict: … … 280 280 if not len(allcons): return True 281 281 G2mv.InitVars() 282 constDictList,fixedList,ignored = G2st r.ProcessConstraints(allcons)282 constDictList,fixedList,ignored = G2stIO.ProcessConstraints(allcons) 283 283 errmsg, warnmsg = G2mv.CheckConstraints('',constDictList,fixedList) 284 284 if errmsg: … … 305 305 if not len(allcons): return True 306 306 G2mv.InitVars() 307 constDictList,fixedList,ignored = G2st r.ProcessConstraints(allcons)307 constDictList,fixedList,ignored = G2stIO.ProcessConstraints(allcons) 308 308 errmsg, warnmsg = G2mv.CheckConstraints('',constDictList,fixedList) 309 309 if errmsg: -
trunk/GSASIIddataGUI.py
r923 r927 36 36 import GSASIIgrid as G2gd 37 37 import GSASIIIO as G2IO 38 import GSASIIstruct as G2str39 38 import GSASIImath as G2mth 40 39 import GSASIIpwd as G2pwd -
trunk/GSASIIgrid.py
r923 r927 35 35 import GSASIIimgGUI as G2imG 36 36 import GSASIIphsGUI as G2phG 37 import GSASIIstruct as G2str38 37 import GSASIIspc as G2spc 39 38 import GSASIImapvars as G2mv -
trunk/GSASIIphsGUI.py
r925 r927 39 39 import GSASIIgrid as G2gd 40 40 import GSASIIIO as G2IO 41 import GSASIIstr uct as G2str41 import GSASIIstrMain as G2stMn 42 42 import GSASIImath as G2mth 43 43 import GSASIIpwd as G2pwd … … 1557 1557 DisAglData['covData'] = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.root, 'Covariance')) 1558 1558 try: 1559 G2st r.DistAngle(DisAglCtls,DisAglData)1559 G2stMn.DistAngle(DisAglCtls,DisAglData) 1560 1560 except KeyError: # inside DistAngle for missing atom types in DisAglCtls 1561 1561 print '**** ERROR - try again but do "Reset" to fill in missing atom types ****' … … 2397 2397 PlaneData['Atoms'] = xyz 2398 2398 PlaneData['Cell'] = generalData['Cell'][1:] #+ volume 2399 G2st r.BestPlane(PlaneData)2399 G2stMn.BestPlane(PlaneData) 2400 2400 2401 2401 def OnDrawDistVP(event): … … 2452 2452 DATData['pId'] = data['pId'] 2453 2453 DATData['covData'] = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.root, 'Covariance')) 2454 G2st r.DisAglTor(DATData)2454 G2stMn.DisAglTor(DATData) 2455 2455 2456 2456 ################################################################################ -
trunk/GSASIIsolve.py
r762 r927 19 19 import GSASIIlattice as G2lat 20 20 import GSASIIspc as G2spc 21 import GSASIIstr uct as G2str21 import GSASIIstrIO as G2stIO 22 22 23 23 def ShowBanner(): … … 35 35 def Solve(GPXfile): 36 36 ShowBanner() 37 Controls = G2st r.GetControls(GPXfile)37 Controls = G2stIO.GetControls(GPXfile) 38 38 ShowControls(Controls) 39 39 -
trunk/GSASIIstrMath.py
r926 r927 8 8 # $Id: GSASIIstrMath.py 920 2013-05-17 17:13:15Z vondreele $ 9 9 ########### SVN repository information ################### 10 import sys11 import os12 import os.path as ospath13 10 import time 14 11 import math 15 12 import copy 16 import random17 import cPickle18 13 import numpy as np 19 14 import numpy.ma as ma -
trunk/testDeriv.py
r926 r927 10 10 import matplotlib as mpl 11 11 import GSASIIpath 12 import GSASIIstr uct as G2st12 import GSASIIstrMath as G2stMth 13 13 import GSASIItestplot as plot 14 14 import pytexture as ptx … … 133 133 def test1(): 134 134 fplot = self.plotNB.add('function test').gca() 135 M = G2st .errRefine(self.values,self.HistoPhases,135 M = G2stMth.errRefine(self.values,self.HistoPhases, 136 136 self.parmDict,self.varylist,self.calcControls, 137 137 self.pawleyLookup,None) … … 141 141 def test2(name,delt): 142 142 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, 144 144 self.varylist,self.calcControls,self.pawleyLookup,None) 145 145 hplot.plot(dMdV[self.varylist.index(name)],'b',label='analytic deriv') 146 146 if name in self.varylist: 147 147 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, 149 149 self.varylist,self.calcControls,self.pawleyLookup,None) 150 150 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, 152 152 self.varylist,self.calcControls,self.pawleyLookup,None) 153 153 self.values[self.varylist.index(name)] -= delt
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