onlineVideos.append('https://anl.box.com/v/MerohedraltwinrefinementinGSAS')
onlineVideos.append('https://anl.box.com/v/ParametricFitting')
onlineVideos.append('https://anl.box.com/v/SequentialRefinementofSmallAng')
onlineVideos.append('https://anl.box.com/v/SequentialTutorial')
onlineVideos.append('https://anl.box.com/v/SimpleMagnetic')
onlineVideos.append('https://anl.box.com/v/SimTutorial-')
onlineVideos.append('https://anl.box.com/v/SmallAngleSizeDistribution')
onlineVideos.append('https://anl.box.com/v/StackingFaults-I')
onlineVideos.append('https://anl.box.com/v/StartingGSAS')
onlineVideos.append('https://anl.box.com/v/Strainfittingof2DdatainGSAS-II')
onlineVideos.append('https://anl.box.com/v/Textureanalysisof2DdatainGSAS-')
onlineVideos.append('https://anl.box.com/v/TOFSequentialSinglePeakFit')
#onlineVideos.append('
if __name__ == '__main__':
GSASIIpath.SetBinaryPath()
import GSASIIctrlGUI as G2G
G2BaseURL = G2G.G2BaseURL
tutorialIndex = G2G.tutorialIndex
tutURL = G2BaseURL + '/Tutorials'
outname = os.path.join(GSASIIpath.path2GSAS2, 'help', 'Tutorials.html')
dirList = [l[0] for l in tutorialIndex if len(l) >= 3]
# loop through directories in Tutorials repository
dirs = [
d[:-1] for d in GSASIIpath.svnList(tutURL, False).split('\n')
if d and d[-1] == '/'
]
for d in dirs:
if d not in dirList:
# idea: select image file type & set filter from that
#
from __future__ import division, print_function
import os
import copy
import glob
import time
import re
import math
import sys
import wx
import wx.lib.mixins.listctrl as listmix
import wx.grid as wg
import numpy as np
import GSASIIpath
GSASIIpath.SetBinaryPath(True)
GSASIIpath.SetVersionNumber("$Revision: 4491 $")
import GSASIIIO as G2IO
import GSASIIctrlGUI as G2G
import GSASIIobj as G2obj
import GSASIIpy3 as G2py3
import GSASIIimgGUI as G2imG
import GSASIIfiles as G2fil
import GSASIIscriptable as G2sc
import multiprocessing as mp
try: # fails during doc build
wxMainFrameStyle = wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX
except:
wxMainFrameStyle = None
def __init__(self, GPXfile=None):
'''
Initialize the setup using an existing GPXfile
'''
if not GPXfile:
# TO DO: Raise name error
raise NameError('Must input some GPX file')
# Initallizing variables from input file GPXfile
G2path.SetBinaryPath()
varyList = []
parmDict = {}
symmetry = {}
Controls = G2stIO.GetControls(GPXfile)
calcControls = {}
calcControls.update(Controls)
constrDict, fixedList = G2stIO.GetConstraints(GPXfile)
restraintDict = G2stIO.GetRestraints(GPXfile)
Histograms, Phases = G2stIO.GetUsedHistogramsAndPhases(GPXfile)
rigidbodyDict = G2stIO.GetRigidBodies(GPXfile)
rbIds = rigidbodyDict.get('RBIds', {'Vector': [], 'Residue': []})
rbVary, rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict, Print=False)
(Natoms, atomIndx, phaseVary, phaseDict, pawleyLookup, FFtables,
BLtables, MFtables, maxSSwave) = G2stIO.GetPhaseData(Phases,
restraintDict,
rbIds,
Print=False)
calcControls['atomIndx'] = atomIndx
calcControls['Natoms'] = Natoms
calcControls['FFtables'] = FFtables
calcControls['BLtables'] = BLtables
calcControls['MFtables'] = MFtables
calcControls['maxSSwave'] = maxSSwave
hapVary, hapDict, controlDict = G2stIO.GetHistogramPhaseData(
Phases, Histograms, Print=False)
calcControls.update(controlDict)
histVary, histDict, controlDict = G2stIO.GetHistogramData(Histograms,
Print=False)
calcControls.update(controlDict)
varyList = rbVary + phaseVary + hapVary + histVary
parmDict.update(rbDict)
parmDict.update(phaseDict)
parmDict.update(hapDict)
parmDict.update(histDict)
G2stIO.GetFprime(calcControls, Histograms)
# define phase symmetries, currently only works for one phase
phase = G2stIO.GetPhaseNames(GPXfile)
phaseData = {}
for name in phase:
phaseData[name] = G2stIO.GetAllPhaseData(GPXfile, name)
symmetry[name] = phaseData[name]['General']['SGData']['SGSys']
# Save the instance parameters
self._Histograms = Histograms
self._varyList = varyList
self._parmDict = parmDict
self._Phases = Phases
self._calcControls = calcControls
self._pawleyLookup = pawleyLookup
self._restraintDict = restraintDict
self._rigidbodyDict = rigidbodyDict
self._rbIds = rbIds
self._symmetry = symmetry
self._phase = phase
try:
self._lowerLimit = Histograms[list(
Histograms.keys())[0]][u'Limits'][1][0]
self._upperLimit = Histograms[list(
Histograms.keys())[0]][u'Limits'][1][1]
self._tth = Histograms[list(Histograms.keys())[0]]['Data'][0][0:-1]
self._tthsample = self._tth[np.where(
(self._tth > self._lowerLimit)
& (self._tth < self._upperLimit) == True)] # noqa: E712
self._SingleXtal = False
except: # noqa: E722
self._tth = None
self._MaxDiffSig = None
self._Fosq = 0
self._FoSig = 0
self._Fcsq = 0
self._SingleXtal = True
