Source code for GSASIIIntPDFtool

#!/usr/bin/env python
# -*- coding: utf-8 -*-
#GSAS-II autointegration routines
########### SVN repository information ###################
# $Date: 2020-12-14 18:58:19 +0000 (Mon, 14 Dec 2020) $
# $Author: vondreele $
# $Revision: 4672 $
# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIIntPDFtool.py $
# $Id: GSASIIIntPDFtool.py 4672 2020-12-14 18:58:19Z vondreele $
########### SVN repository information ###################
'''
.. _GSASIIautoint:

*GSASIIIntPDFtool: autointegration routines*
---------------------------------------------

Independent-running GSAS-II based auto-integration program with minimal
GUI, no visualization but intended to implement significant levels of 
parallelization.
'''
# Autointegration from 
# $Id: GSASIIIntPDFtool.py 4672 2020-12-14 18:58:19Z vondreele $
# hacked for stand-alone use
#
# 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: 4672 $")
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

[docs]class AutoIntFrame(wx.Frame): '''Creates a wx.Frame window for the Image AutoIntegration. The intent is that this will be used as a non-modal dialog window. Implements a Start button that morphs into a pause and resume button. This button starts a processing loop that is repeated every :meth:`PollTime` seconds. :param wx.Frame G2frame: main GSAS-II frame :param float PollTime: frequency in seconds to repeat calling the processing loop. (Default is 30.0 seconds.) ''' def __init__(self,G2frame,PollTime=30.0): def OnStart(event): '''Called when the start button is pressed. Changes button label to Pause. When Pause is pressed the label changes to Resume. When either Start or Resume is pressed, the processing loop is started. When Pause is pressed, the loop is stopped. ''' self.Pause = False # change button label if self.btnstart.GetLabel() != 'Pause': self.btnstart.SetLabel('Pause') self.Status.SetStatusText('Press Pause to delay integration or Reset to prepare to reintegrate all images') if self.timer.IsRunning(): self.timer.Stop() self.PreventTimerReEntry = False if self.StartLoop(): G2G.G2MessageBox(self,'Error in setting up integration. See console') return # delete pool of slaved interpreters in case input has changed if self.MPpool: self.MPpool.terminate() self.MPpool = None # if self.ncores >= 1: # debug if self.ncores > 1: # print('Creating pool of ',self.ncores,'cores') # debug self.MPpool = mp.Pool(self.ncores) self.OnTimerLoop(None) # run once immediately if not self.Pause: # no pause, so start timer to check for new files self.timer.Start(int(1000*PollTime),oneShot=False) return # we will get to this point if Paused self.OnPause() def OnReset(event): '''Called when Reset button is pressed. This stops the processing loop and resets the list of integrated files so all images can be reintegrated. ''' self.btnstart.SetLabel('Restart') self.Status.SetStatusText('Press Restart to reload and re-integrate images matching filter') if self.timer.IsRunning(): self.timer.Stop() self.Reset = True self.Pause = True self.ProcessedList = [] self.ShowMatchingFiles(None) def OnQuit(event): '''Stop the processing loop and close the Frame ''' if self.timer.IsRunning(): self.timer.Stop() # make sure we stop first wx.CallAfter(self.Destroy) def OnBrowse(event): '''Responds when the Browse button is pressed to load a file. The routine determines which button was pressed and gets the appropriate file type and loads it into the appropriate place in the dict. ''' if btn3 == event.GetEventObject(): dlg = wx.DirDialog( self, 'Select directory for output files', self.params['outdir'],wx.DD_DEFAULT_STYLE) dlg.CenterOnParent() try: if dlg.ShowModal() == wx.ID_OK: self.params['outdir'] = dlg.GetPath() fInp3.SetValue(self.params['outdir']) finally: dlg.Destroy() return def showPDFctrls(event): '''Called to show or hide AutoPDF widgets. Note that TextCtrl's must be included in the sizer layout with .Show(True) before .Show(False) will work properly. ''' TestInput() if len(self.pdfList) == 0 or self.params['TableMode']: lbl4b.SetValue(False) self.params['ComputePDF'] = False lbl4b.Enable(False) else: lbl4b.Enable(True) for w in [self.pbkg[i][4] for i in (0,1,2)]: w.Enable(self.params['ComputePDF']) w.Show(self.params['ComputePDF']) #for o in pdfwidgets+[self.pbkg[i][2] for i in (0,1,2)]: for o in pdfwidgets+[self.pdfSel]+[self.pbkg[i][1] for i in range(3)]: o.Enable(self.params['ComputePDF']) if self.params['ComputePDF']: c = "black" else: c = "gray" for l in ([lbl4,lbl4a,lbl5,lbl5a,lbl5b] +[self.pbkg[i][0] for i in (0,1,2)] +[self.pbkg[i][5] for i in (0,1,2)]): l.SetForegroundColour(c) checkPDFselection() self.SendSizeEvent() def GetGPXInputFile(event): 'Get and read input from input GPX file' pth = self.params['readdir'] lbl = 'Select a project input file' filtyp = 'project file (.gpx)|*.gpx' if event is not None: dlg = wx.FileDialog(self,lbl, pth, style=wx.FD_OPEN,wildcard=filtyp) dlg.CenterOnParent() if dlg.ShowModal() == wx.ID_OK: self.gpxin[3] = dlg.GetPath() dlg.Destroy() if not os.path.exists(self.gpxin[3]): G2G.G2MessageBox(self,'Error: file {} not found.'.format(self.gpxin[3])) return SetGPXInputFile() def SetGPXInputFile(): gpx = G2sc.G2Project(self.gpxin[3]) self.imgList = gpx.images() self.histList = gpx.histograms() self.pdfList = gpx.pdfs() if not self.imgList: G2G.G2MessageBox(self,'Error: no images in {}.'.format(self.gpxin[3])) return self.gpxin[1].SetValue(self.gpxin[3]) self.imprm[1].Clear() self.imprm[1].AppendItems([i.name for i in self.imgList]) if len(self.imgList) == 1: self.imprm[1].SetSelection(0) self.maskfl[1].Clear() self.maskfl[1].AppendItems(['']+[i.name for i in self.imgList]) for i in range(3): self.pbkg[i][1].Clear() self.pbkg[i][1].AppendItems(['']+[i.name for i in self.histList]) self.pdfSel.Clear() self.pdfSel.AppendItems([i.name for i in self.pdfList]) showPDFctrls(None) def TestInput(*args,**kwargs): '''Determine if the start button should be enabled and ask for the exporter type with ambiguous extensions ''' for dfmt,obj in self.fmtlist.items(): fmt = dfmt[1:] if not self.params['outsel'][fmt]: continue if fmt in self.multipleFmtChoices: continue if type(obj) is not list: continue # only one exporter for this choices = [] for e in obj: choices.append(e.formatName) if len(choices) == 0: print('Error: why 0 choices in TestInput?') continue if len(choices) == 1: print('Error: why 1 choice in TestInput?') self.multipleFmtChoices[fmt] = obj[0].formatName continue # select the format here dlg = G2G.G2SingleChoiceDialog(self, 'There is more than one format with a '+ '.{} output. Choose the one to use'.format(fmt), 'Choose output format',choices) dlg.CenterOnParent() dlg.clb.SetSelection(0) # force a selection if dlg.ShowModal() == wx.ID_OK and dlg.GetSelection() >= 0: self.multipleFmtChoices[fmt] = choices[dlg.GetSelection()] dlg.Destroy() writingSomething = False writingPDF = False # is at least one output file selected? for dfmt in self.fmtlist: fmt = dfmt[1:] if self.params['outsel'][fmt]: writingSomething = True break if self.params['ComputePDF']: for fmt in self.PDFformats: if self.params['outsel'][fmt]: writingPDF = writingSomething = True break if not writingSomething: self.EnableIntButtons(False) return # do we have integration input? if not self.params['TableMode']: if not self.gpxin[3]: self.EnableIntButtons(False) return elif not os.path.exists(self.gpxin[3]): self.EnableIntButtons(False) return elif len(self.imgList) == 0: self.EnableIntButtons(False) return else: self.EnableIntButtons(True) else: if self.ImgTblParms: self.EnableIntButtons(True) else: self.EnableIntButtons(False) return # do we have PDF input, if requested if self.params['ComputePDF']: if len(self.pdfList) == 0 or not writingPDF: self.EnableIntButtons(False) elif 'Error' in self.formula: self.EnableIntButtons(False) def checkPDFselection(): 'Read PDF entry from input GPX file & show in GUI' pdfEntry = self.pdfSel.GetStringSelection() if not self.pdfList: self.params['ComputePDF'] = False lbl4b.Enable(False) return else: lbl4b.Enable(True) if pdfEntry not in [i.name for i in self.pdfList]: # strange something -- not selected self.pdfSel.SetSelection(0) pdfEntry = self.pdfSel.GetStringSelection() if self.gpxInp is None or self.gpxInp.filename != self.gpxin[3]: self.gpxInp = G2sc.G2Project(self.gpxin[3]) try: PDFobj = self.gpxInp.pdf(pdfEntry) except KeyError: print("PDF entry not found: {}".format(pdfEntry)) return histNames = [i.name for i in self.histList] for i,lbl in enumerate(('Sample Bkg.','Container', 'Container Bkg.')): self.pbkg[i][4].SetValue(str(PDFobj.data['PDF Controls'][lbl]['Mult'])) self.pbkg[i][6] = PDFobj.data['PDF Controls'][lbl]['Mult'] try: i = 1 + histNames.index(PDFobj.data['PDF Controls'][lbl]['Name']) self.pbkg[i][1].SetSelection(i) except ValueError: i = 0 self.pbkg[i][1].SetSelection(0) if PDFobj.data['PDF Controls'][lbl]['Name']: print('PDF {} hist entry {} not found'.format( lbl,PDFobj.data['PDF Controls'][lbl]['Name'])) PDFobj.data['PDF Controls'][lbl]['Name'] = '' self.formula = '' for el in PDFobj.data['PDF Controls']['ElList']: i = PDFobj.data['PDF Controls']['ElList'][el]['FormulaNo'] if i <= 0: continue elif i == 1: if self.formula: self.formula += ' ' self.formula += '{}'.format(el) else: if self.formula: self.formula += ' ' self.formula += '{}({:.1f})'.format(el,i) if not self.formula: self.formula = 'Error: no chemical formula' lbl5b.SetLabel(self.formula) TestInput() def ShowbyMode(): 'create table or non-table integration section of GUI' intPrmSizer.Clear(True) if not self.params['TableMode']: sizer = wx.BoxSizer(wx.HORIZONTAL) self.gpxin[0] = wx.StaticText(mnpnl, wx.ID_ANY,'Project (gpx) file:') sizer.Add(self.gpxin[0]) self.gpxin[1] = G2G.ValidatedTxtCtrl(mnpnl,self.gpxin,3, OKcontrol=TestInput,OnLeave=TestInput) sizer.Add(self.gpxin[1],1,wx.EXPAND,1) self.gpxin[2] = wx.Button(mnpnl, wx.ID_ANY, "Browse") self.gpxin[2].Bind(wx.EVT_BUTTON, GetGPXInputFile) sizer.Add(self.gpxin[2],0,wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL) intPrmSizer.Add(sizer,0,wx.EXPAND,0) sizer = wx.BoxSizer(wx.HORIZONTAL) self.imprm[0] = wx.StaticText(mnpnl, wx.ID_ANY,'Image parms from:') sizer.Add(self.imprm[0]) self.imprm[3] = 0 self.imprm[1] = G2G.G2ChoiceButton(mnpnl,[''],self.imprm,3,onChoice=TestInput) sizer.Add(self.imprm[1],1,wx.EXPAND,1) intPrmSizer.Add(sizer,0,wx.EXPAND,0) sizer = wx.BoxSizer(wx.HORIZONTAL) self.maskfl[0] = wx.StaticText(mnpnl, wx.ID_ANY,'Mask parms from:') sizer.Add(self.maskfl[0]) self.maskfl[3] = 0 self.maskfl[1] = G2G.G2ChoiceButton(mnpnl,[''],self.maskfl,3,onChoice=TestInput) sizer.Add(self.maskfl[1],1,wx.EXPAND,1) intPrmSizer.Add(sizer,0,wx.EXPAND,0) else: sizer = wx.BoxSizer(wx.HORIZONTAL) self.table = [None,None,None,None] self.table[0] = wx.Button(mnpnl, wx.ID_ANY, "Create table") sizer.Add(self.table[0],0,wx.ALIGN_LEFT|wx.ALL,5) self.table[0].Bind(wx.EVT_BUTTON, OnTableButton) self.table[1] = wx.Button(mnpnl, wx.ID_ANY, "Read table") sizer.Add(self.table[1],0,wx.ALIGN_LEFT|wx.ALL,5) self.table[1].Bind(wx.EVT_BUTTON, OnTableButton) self.table[2] = wx.Button(mnpnl, wx.ID_ANY, "Edit table") sizer.Add(self.table[2],0,wx.ALIGN_LEFT|wx.ALL,5) self.table[2].Bind(wx.EVT_BUTTON, OnTableButton) #self.table[3] = wx.Button(mnpnl, wx.ID_ANY, "Save table") #sizer.Add(self.table[3],0,wx.ALIGN_LEFT|wx.ALL,5) #self.table[3].Bind(wx.EVT_BUTTON, OnTableButton) intPrmSizer.Add(sizer,0,wx.EXPAND,0) # enable/disable based on status of files/table TestInput() mnsizer.Fit(self) def OnTableButton(event): '''Called to edit/create the distance-dependent parameter look-up table. ''' pth = self.params['readdir'] readFileList = [] parms,fileList = [], [] if event.GetEventObject() == self.table[0]: dlg = wx.FileDialog(self, 'Build new table by selecting image control files', pth, style=wx.FD_OPEN| wx.FD_MULTIPLE, wildcard='Image control files (.imctrl)|*.imctrl') dlg.CenterOnParent() if dlg.ShowModal() == wx.ID_OK: readFileList = dlg.GetPaths() dlg.Destroy() if len(readFileList) <= 0: return elif event.GetEventObject() == self.table[1]: dlg = wx.FileDialog(self, 'Reload table by selecting saved file', pth, style=wx.FD_OPEN, wildcard='Integration table (*.imtbl)|*.imtbl') dlg.CenterOnParent() if dlg.ShowModal() == wx.ID_OK: readFileList = [dlg.GetPath()] dlg.Destroy() if len(readFileList) <= 0: return elif event.GetEventObject() == self.table[2]: parms = copy.deepcopy(self.ImgTblParms) fileList = copy.copy(self.IMfileList) if not parms: G2G.G2MessageBox(self,'Create or Read table first') return dlg = None try: dlg = G2imG.IntegParmTable(self,parms,fileList,readFileList) dlg.CenterOnParent() if dlg.ShowModal() == wx.ID_OK: self.params['InterVals'] = SetupInterpolation(dlg) self.ImgTblParms = dlg.ReadImageParmTable() self.IMfileList = dlg.IMfileList self.params['TableMode'] = True self.params['ControlsTable'] = {} self.params['MaskTable'] = {} for f,m in zip(self.IMfileList,self.ImgTblParms[-1]): n = os.path.split(f)[1] if n in self.params['ControlsTable']: print('Warning overwriting entry {}'.format(n)) self.params['ControlsTable'][n] = G2imG.ReadControls(f) if m and os.path.exists(m): self.params['MaskTable'][n] = G2imG.ReadMask(m) elif m != "(none)": print("Error: Mask file {} not found".format(m)) else: self.params['TableMode'] = False self.params['ControlsTable'] = {} self.params['MaskTable'] = {} self.imageBase = G2frame.Image finally: if dlg: dlg.Destroy() TestInput() ################################################## # beginning of __init__ processing ################################################## self.G2frame = G2frame self.ImgTblParms = None self.IMfileList = None self.params = {} self.Reset = False self.Pause = False self.PreventReEntryShowMatch = False self.PreventTimerReEntry = False self.params['ControlsTable'] = {} self.params['MaskTable'] = {} G2sc.LoadG2fil() self.fmtlist = G2sc.exportersByExtension.get('powder',{}) self.fmtlist['.gpx'] = None self.timer = wx.Timer() self.timer.Bind(wx.EVT_TIMER,self.OnTimerLoop) self.imageBase = G2frame.Image self.params['ComputePDF'] = False self.params['pdfDmax'] = 0.0 self.params['pdfprm'] = '' self.params['optPDF'] = True self.params['TableMode'] = False self.params['outsel'] = {} self.formula = 'Error' self.pdfControls = {} self.imgList = [] self.histList = [] self.pdfList = [] self.Scale = [1.0,] self.ProcessedList = [] # files that have been integrated self.currImageList = [] # files that will be integrated self.gpxInp = None self.gpxin = [None,None,None,''] self.imprm = [None,None,None,''] self.maskfl = [None,None,None,''] self.ncores = mp.cpu_count()//2 self.MPpool = None self.params['readdir'] = os.getcwd() self.params['filter'] = '*.tif' self.params['outdir'] = os.getcwd() self.PDFformats = ('I(Q)', 'S(Q)', 'F(Q)', 'G(r)', 'PDFgui') self.multipleFmtChoices = {} #GSASIIpath.IPyBreak_base() wx.Frame.__init__(self, None, title='Automatic Integration', style=wxMainFrameStyle) self.Status = self.CreateStatusBar() self.Status.SetStatusText('Press Start to load and integrate images matching filter') mnpnl = wx.Panel(self) mnsizer = wx.BoxSizer(wx.VERTICAL) # box for integration controls & masks input intSizer = wx.BoxSizer(wx.VERTICAL) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add((-1,-1),1,wx.EXPAND,1) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Calibration/Integration parameters')) sizer.Add((-1,-1),1,wx.EXPAND,1) intSizer.Add(sizer,1,wx.EXPAND,1) def ontblModeBtn(event): if tblModeBtn.GetValue(): self.params['TableMode'] = True else: self.params['TableMode'] = False ShowbyMode() tblModeBtn = wx.CheckBox(mnpnl,label='Use distance lookup table') tblModeBtn.SetValue(False) tblModeBtn.Bind(wx.EVT_CHECKBOX, ontblModeBtn) intSizer.Add(tblModeBtn) mnsizer.Add(intSizer,0,wx.EXPAND,0) intPrmSizer = wx.BoxSizer(wx.VERTICAL) mnsizer.Add(intPrmSizer,0,wx.EXPAND,0) # file filter stuff mnsizer.Add((-1,15)) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Read images from ')) self.readDir = G2G.ValidatedTxtCtrl(mnpnl,self.params,'readdir', OnLeave=self.ShowMatchingFiles,size=(200,-1)) sizer.Add(self.readDir,1,wx.EXPAND,1) btn3 = wx.Button(mnpnl, wx.ID_ANY, "Browse") btn3.Bind(wx.EVT_BUTTON, self.SetSourceDir) sizer.Add(btn3,0,wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL) mnsizer.Add(sizer,0,wx.EXPAND,0) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add((-1,-1),1,wx.EXPAND,1) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,' Image filter')) flterInp = G2G.ValidatedTxtCtrl(mnpnl,self.params,'filter', OnLeave=self.ShowMatchingFiles) sizer.Add(flterInp) mnsizer.Add(sizer,0,wx.EXPAND,0) self.ListBox = wx.ListBox(mnpnl,size=(-1,100)) mnsizer.Add(self.ListBox,1,wx.EXPAND,1) self.ShowMatchingFiles(None) # box for output selections mnsizer.Add((-1,15)) lbl = wx.StaticBox(mnpnl, wx.ID_ANY, "Integration output") lblsizr = wx.StaticBoxSizer(lbl, wx.VERTICAL) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Write to: '),0,wx.ALIGN_CENTER_VERTICAL) fInp3 = G2G.ValidatedTxtCtrl(mnpnl,self.params,'outdir',notBlank=False,size=(300,-1)) sizer.Add(fInp3,1,wx.EXPAND) btn3 = wx.Button(mnpnl, wx.ID_ANY, "Browse") btn3.Bind(wx.EVT_BUTTON, OnBrowse) sizer.Add(btn3,0,wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL) lblsizr.Add(sizer,0,wx.EXPAND) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Select format(s):')) for dfmt in sorted(self.fmtlist): sizer.Add((6,2)) # add a bit of extra space fmt = dfmt[1:] if fmt not in self.params['outsel']: self.params['outsel'][fmt] = False btn = G2G.G2CheckBox(mnpnl,dfmt,self.params['outsel'],fmt, OnChange=TestInput) sizer.Add(btn) lblsizr.Add(sizer) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Separate dir for each format: ')) self.params['SeparateDir'] = False sizer.Add(G2G.G2CheckBox(mnpnl,'',self.params,'SeparateDir')) lblsizr.Add(sizer) mnsizer.Add(lblsizr,0,wx.EXPAND,1) mnsizer.Add((-1,15)) lbl = wx.StaticBox(mnpnl, wx.ID_ANY, "PDF settings") pdfwidgets = [] lblsizr = wx.StaticBoxSizer(lbl, wx.VERTICAL) sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Autocompute PDF:'),0,wx.ALIGN_CENTER_VERTICAL) lbl4b = G2G.G2CheckBox(mnpnl,'',self.params,'ComputePDF', OnChange=showPDFctrls) sizer.Add(lbl4b) lbl4a = wx.StaticText(mnpnl, wx.ID_ANY,'Max detector distance: ') sizer.Add(lbl4a,0,wx.ALIGN_CENTER_VERTICAL) fInp4a = G2G.ValidatedTxtCtrl(mnpnl,self.params,'pdfDmax',xmin=0.0) pdfwidgets.append(fInp4a) sizer.Add(fInp4a,0,wx.ALIGN_CENTER_VERTICAL) cOpt = G2G.G2CheckBox(mnpnl,'Optimize',self.params,'optPDF') pdfwidgets.append(cOpt) sizer.Add(cOpt) lblsizr.Add(sizer,0) sizer = wx.BoxSizer(wx.HORIZONTAL) lbl4 = wx.StaticText(mnpnl, wx.ID_ANY,'PDF control: ') sizer.Add(lbl4,0,wx.ALIGN_CENTER_VERTICAL) self.pdfSel = G2G.G2ChoiceButton(mnpnl,[''],self.params,'pdfprm', onChoice=checkPDFselection) sizer.Add(self.pdfSel,1,wx.EXPAND,1) lblsizr.Add(sizer,0,wx.EXPAND) sizer = wx.BoxSizer(wx.HORIZONTAL) lbl5a = wx.StaticText(mnpnl, wx.ID_ANY,'Chemical formula: ') sizer.Add(lbl5a) lbl5b = wx.StaticText(mnpnl, wx.ID_ANY,'(formula)') sizer.Add(lbl5b) lblsizr.Add(sizer,0,wx.EXPAND) sizer = wx.BoxSizer(wx.HORIZONTAL) lbl5 = wx.StaticText(mnpnl, wx.ID_ANY,'Select format(s):') sizer.Add(lbl5) for fmt in self.PDFformats: sizer.Add((6,2)) # add a bit of extra space if fmt not in self.params['outsel']: self.params['outsel'][fmt] = False btn = G2G.G2CheckBox(mnpnl,fmt,self.params['outsel'],fmt, OnChange=TestInput) sizer.Add(btn) pdfwidgets.append(btn) lblsizr.Add(sizer,0,wx.EXPAND) self.pbkg = 3*[None] for i,lbl in enumerate((' Sample bkg:',' Container:', 'Container bkg:')): self.pbkg[i] = [None,None,None,'',None,None,-1.0] sizer = wx.BoxSizer(wx.HORIZONTAL) self.pbkg[i][0] = wx.StaticText(mnpnl, wx.ID_ANY,lbl) sizer.Add(self.pbkg[i][0]) self.pbkg[i][1] = G2G.G2ChoiceButton(mnpnl,[''],self.pbkg[i],3) sizer.Add(self.pbkg[i][1],1,wx.EXPAND,1) self.pbkg[i][5] = wx.StaticText(mnpnl, wx.ID_ANY,' mult:') sizer.Add(self.pbkg[i][5]) self.pbkg[i][4] = G2G.ValidatedTxtCtrl(mnpnl,self.pbkg[i],6, (6,3),typeHint=float,size=(50,-1), OnLeave=TestInput,notBlank=False) sizer.Add(self.pbkg[i][4]) lblsizr.Add(sizer,0,wx.EXPAND,0) mnsizer.Add(lblsizr,0,wx.EXPAND,1) # buttons on bottom sizer = wx.BoxSizer(wx.HORIZONTAL) sizer.Add((20,-1)) self.btnstart = wx.Button(mnpnl, wx.ID_ANY, "Start") self.btnstart.Bind(wx.EVT_BUTTON, OnStart) sizer.Add(self.btnstart) self.btnreset = wx.Button(mnpnl, wx.ID_ANY, "Reset") self.btnreset.Bind(wx.EVT_BUTTON, OnReset) sizer.Add(self.btnreset) sizer.Add((20,-1),wx.EXPAND,1) sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,' cores:')) spin = wx.SpinCtrl(mnpnl, wx.ID_ANY,size=(50,-1)) spin.SetRange(1, mp.cpu_count()) # spin.SetRange(0, mp.cpu_count()) # debug spin.SetValue(self.ncores) def _onSpin(event): if event: event.Skip() self.ncores = spin.GetValue() spin.Bind(wx.EVT_SPINCTRL, _onSpin) spin.Bind(wx.EVT_KILL_FOCUS, _onSpin) sizer.Add(spin) sizer.Add((20,-1),wx.EXPAND,1) self.btnclose = wx.Button(mnpnl, wx.ID_ANY, "Exit") self.btnclose.Bind(wx.EVT_BUTTON, OnQuit) self.EnableIntButtons(False) sizer.Add(self.btnclose) sizer.Add((20,-1)) mnsizer.Add(sizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP,5) # finish up window mnpnl.SetSizer(mnsizer) #OnRadioSelect(None) # disable widgets mnsizer.Fit(self) ShowbyMode() if len(sys.argv) > 1: fil = os.path.splitext(sys.argv[1])[0]+'.gpx' if os.path.exists(fil): self.gpxin[3] = fil SetGPXInputFile() showPDFctrls(None)
[docs] def SetSourceDir(self,event): '''Use a dialog to get a directory for image files ''' dlg = wx.DirDialog(self, 'Select directory for image files', self.params['readdir'],wx.DD_DEFAULT_STYLE) dlg.CenterOnParent() try: if dlg.ShowModal() == wx.ID_OK: self.params['readdir'] = dlg.GetPath() self.readDir.SetValue(self.params['readdir']) self.ShowMatchingFiles(None) finally: dlg.Destroy() return
[docs] def ShowMatchingFiles(self,value,invalid=False,**kwargs): '''Find and image files matching the image file directory (self.params['readdir']) and the image file filter (self.params['filter']) and add this information to the GUI list box ''' if invalid: return if self.PreventReEntryShowMatch: return self.PreventReEntryShowMatch = True filmsg = "" self.currImageList = [] if os.path.exists(self.params['readdir']): imageList = sorted( glob.glob(os.path.join(self.params['readdir'],self.params['filter']))) if not imageList: msg = 'Warning: No files match search string '+os.path.join( self.params['readdir'],self.params['filter']) else: for fil in imageList: if fil not in self.ProcessedList: filmsg += '\n '+fil self.currImageList.append(fil) if filmsg: msg = 'Files to integrate from '+os.path.join( self.params['readdir'],self.params['filter'])+filmsg else: msg = 'No files found to process in '+self.params['readdir'] else: msg = 'Warning, does not exist: '+self.params['readdir'] if self.ProcessedList: msg += '\nIntegrated files:' for fil in self.ProcessedList: msg += '\n '+fil self.ListBox.Clear() self.ListBox.AppendItems(msg.split('\n')) self.PreventReEntryShowMatch = False return
[docs] def OnPause(self): '''Respond to Pause, changes text on button/Status line, if needed Stops timer self.Pause should already be True ''' if self.timer.IsRunning(): self.timer.Stop() if self.btnstart.GetLabel() == 'Restart': return if self.btnstart.GetLabel() != 'Resume': print('\nPausing autointegration\n') self.btnstart.SetLabel('Resume') self.Status.SetStatusText( 'Press Resume to continue integration or Reset to prepare to reintegrate all images') self.Pause = True
def EnableIntButtons(self,flag): for item in (self.btnstart,self.btnreset): item.Enable(flag)
[docs] def StartLoop(self): '''Prepare to start autointegration timer loop. Save current Image params for use in future integrations also label the window so users understand what is being used ''' print('\nStarting new autointegration\n') # make sure all output directories exist if self.params['SeparateDir']: for dfmt in self.fmtlist: if not self.params['outsel'][dfmt[1:]]: continue dir = os.path.join(self.params['outdir'],dfmt[1:]) if not os.path.exists(dir): os.makedirs(dir) else: if not os.path.exists(self.params['outdir']): os.makedirs(self.params['outdir']) if self.Reset: # special things to do after Reset has been pressed self.G2frame.IntegratedList = [] wx.Yield() self.Reset = False if self.params['ComputePDF'] and self.params['SeparateDir']: for fmt in self.PDFformats: if not self.params['outsel'][fmt]: continue dir = os.path.join(self.params['outdir'], fmt.replace("(","_").replace(")","")) if not os.path.exists(dir): os.makedirs(dir) return False
[docs] def ArgGen(self,PDFobj,imgprms,mskprms,xydata): '''generator for arguments for integration/PDF calc ''' for newImage in self.currImageList: self.Pause |= self.G2frame.PauseIntegration if self.Pause: self.OnPause() self.PreventTimerReEntry = False self.Raise() return TableMode = self.params['TableMode'] ComputePDF = self.params['ComputePDF'] SeparateDir = self.params['SeparateDir'] optPDF = self.params['optPDF'] outdir = self.params['outdir'] calcModes = (TableMode,ComputePDF,SeparateDir,optPDF) InterpVals = self.params.get('InterVals') outputSelect = self.params['outsel'] PDFformats = self.PDFformats outputModes = (outputSelect,PDFformats,self.fmtlist,outdir, self.multipleFmtChoices) if PDFobj: PDFdict = PDFobj.data else: PDFdict = None yield (newImage,imgprms,mskprms,xydata,PDFdict,InterpVals,calcModes,outputModes)
[docs] def OnTimerLoop(self,event): '''A method that is called every :meth:`PollTime` seconds that is used to check for new files and process them. Integrates new images. Also optionally sets up and computes PDF. This is called only after the "Start" button is pressed (then its label reads "Pause"). ''' if GSASIIpath.GetConfigValue('debug'): import datetime print ("DBG_Timer tick at {:%d %b %Y %H:%M:%S}\n".format(datetime.datetime.now())) if self.PreventTimerReEntry: return self.PreventTimerReEntry = True self.ShowMatchingFiles(None) if not self.currImageList: self.PreventTimerReEntry = False return updateList = False # get input for integration imgprms = mskprms = None if not self.params['TableMode']: # read in image controls/masks, used below in loop. In Table mode # we will get this image-by image. gpxinp = G2sc.G2Project(self.gpxin[3]) print('reading template project',gpxinp.filename) img = gpxinp.image(self.imprm[1].GetStringSelection()) imgprms = img.getControls(True) if self.maskfl[1].GetStringSelection().strip(): img = gpxinp.image(self.maskfl[1].GetStringSelection()) mskprms = img.getMasks() # setup shared input for PDF computation (for now will not be table mode) xydata = {} if self.params['ComputePDF']: pdfEntry = self.pdfSel.GetStringSelection() try: PDFobj = gpxinp.pdf(pdfEntry) except KeyError: print("PDF entry not found: {}".format(pdfEntry)) # update with GUI input for i,lbl in enumerate(('Sample Bkg.','Container', 'Container Bkg.')): name = self.pbkg[i][1].GetStringSelection() try: xydata[lbl] = gpxinp.histogram(name).data['data'] except AttributeError: pass PDFobj.data['PDF Controls'][lbl]['Mult'] = self.pbkg[i][6] PDFobj.data['PDF Controls'][lbl]['Name'] = name else: PDFobj = None if self.MPpool: self.MPpool.imap_unordered(ProcessImageMP, self.ArgGen(PDFobj,imgprms,mskprms,xydata)) else: for intArgs in self.ArgGen(PDFobj,imgprms,mskprms,xydata): newImage = intArgs[0] print('processing ',newImage) ProcessImage(*intArgs) updateList = True for newImage in self.currImageList: self.ProcessedList.append(newImage) if updateList: self.ShowMatchingFiles(None) self.PreventTimerReEntry = False self.Raise()
def ProcessImageMP(onearg): newImage = onearg[0] print('processing ',newImage) t0 = time.time() # debug ProcessImage(*onearg) print('ProcessImageMP time',time.time()-t0) MapCache = {'maskMap':{}, 'ThetaAzimMap':{}, 'distanceList':[]} 'caches for TA and Mask maps'
[docs]def ProcessImage(newImage,imgprms,mskprms,xydata,PDFdict,InterpVals,calcModes,outputModes): '''Process one image that is read from file newImage and is integrated into one or more diffraction patterns and optionally each diffraction pattern can be transformed into a pair distribution function. :param str newImage: file name (full path) for input image :param dict imgprms: dict with some nested lists & dicts describing the image settings and integration parameters :param dict mskprms: dict with areas of image to be masked :param dict xydata: contains histogram information with about background contributions, used for PDF computation (used if ComputePDF is True) :param PDFdict: contains PDF parameters (used if ComputePDF is True) :param InterpVals: contains interpolation table (used if TableMode is True) :param tuple calcModes: set of values for which computations are performed and how :param tuple outputModes: determines which files are written and where ''' (TableMode,ComputePDF,SeparateDir,optPDF) = calcModes (outputSelect,PDFformats,fmtlist,outdir,multipleFmtChoices) = outputModes if SeparateDir: savedir = os.path.join(outdir,'gpx') if not os.path.exists(savedir): os.makedirs(savedir) else: savedir = outdir outgpx = os.path.join(savedir,os.path.split(os.path.splitext(newImage)[0]+'.gpx')[1]) gpxout = G2sc.G2Project(filename=outgpx) print('creating',gpxout.filename) # looped because a file can contain multiple images if TableMode: # look up parameter values from table imgprms,mskprms = LookupFromTable(im.data['Image Controls'].get('setdist'), InterpVals) for im in gpxout.add_image(newImage): # apply image parameters im.setControls(imgprms) setdist = '{:.2f}'.format(im.getControls()['setdist']) # ignore differences in position less than 0.01 mm if setdist not in MapCache['distanceList']: if mskprms: im.setMasks(mskprms) else: im.initMasks() MapCache['distanceList'].append(setdist) MapCache['maskMap'][setdist] = G2sc.calcMaskMap(im.getControls(), im.getMasks()) MapCache['ThetaAzimMap'][setdist] = G2sc.calcThetaAzimMap(im.getControls()) # else: # debug # print('*** reusing',setdist) #if mskprms: # im.setMasks(mskprms) #else: # im.initMasks() hists = im.Integrate(MaskMap=MapCache['maskMap'][setdist], ThetaAzimMap=MapCache['ThetaAzimMap'][setdist]) # write requested files for dfmt in fmtlist: fmt = dfmt[1:] if not outputSelect[fmt]: continue if fmtlist[dfmt] is None: continue hint = '' if fmt in multipleFmtChoices: hint = multipleFmtChoices[fmt] if SeparateDir: savedir = os.path.join(outdir,fmt) else: savedir = outdir if not os.path.exists(savedir): os.makedirs(savedir) # loop over created histgrams (multiple if caked), writing them as requested for i,h in enumerate(hists): fname = h.name[5:].replace(' ','_') #if len(hists) > 1: #GSASIIpath.IPyBreak_base() try: fil = os.path.join(savedir,fname) print('Wrote',h.Export(fil,dfmt,hint)) except Exception as msg: print('Failed to write {} as {}. Error msg\n{}' .format(fname,dfmt,msg)) if ComputePDF: # compute PDF for h in hists: pdf = gpxout.copy_PDF(PDFdict,h) pdf.data['PDF Controls']['Sample']['Name'] = h.name xydata['Sample'] = h.data['data'] fname = h.name[5:].replace(' ','_') limits = h.data['Limits'][1] inst = h.data['Instrument Parameters'][0] pdf.calculate(copy.deepcopy(xydata),limits,inst) if optPDF: for i in range(5): if pdf.optimize(True,5,copy.deepcopy(xydata),limits,inst): break pdf.calculate(copy.deepcopy(xydata),limits,inst) for fmt in PDFformats: if not outputSelect[fmt]: continue if SeparateDir: savedir = os.path.join(outdir,fmt.replace("(","_").replace(")","")) else: savedir = outdir pdf.export(os.path.join(savedir,fname),fmt) if outputSelect.get('gpx'): gpxout.save() else: del gpxout
# Autointegration end
[docs]def SetupInterpolation(dlg): '''Creates an object for interpolating image parameters at a given distance value ''' parms = dlg.ReadImageParmTable() IMfileList = dlg.IMfileList cols = dlg.list.GetColumnCount() ParmList = dlg.ParmList nonInterpVars = dlg.nonInterpVars ControlsTable = {} MaskTable = {} for f,m in zip(IMfileList,parms[-1]): n = os.path.split(f)[1] if n in ControlsTable: print('Warning overwriting entry {}'.format(n)) ControlsTable[n] = G2imG.ReadControls(f) if m and os.path.exists(m): MaskTable[n] = G2imG.ReadMask(m) elif m != "(none)": print("Error: Mask file {} not found".format(m)) return copy.deepcopy([cols, parms, IMfileList, ParmList, nonInterpVars,ControlsTable,MaskTable])
[docs]def LookupFromTable(dist,parmList): '''Interpolate image parameters for a supplied distance value :param float dist: distance to use for interpolation :returns: a list with 2 items: * a dict with interpolated parameter values, * the closest imctrl ''' cols, parms, IMfileList, ParmList, nonInterpVars,ControlsTable,MaskTable = parmList x = np.array([float(i) for i in parms[0]]) closest = abs(x-dist).argmin() D = {'setdist':dist} imctfile = IMfileList[closest] for c in range(1,cols-1): lbl = ParmList[c] if lbl in nonInterpVars: if lbl in ['outChannels',]: D[lbl] = int(float(parms[c][closest])) else: D[lbl] = float(parms[c][closest]) else: y = np.array([float(i) for i in parms[c]]) D[lbl] = np.interp(dist,x,y) # full integration when angular range is 0 D['fullIntegrate'] = (D['LRazimuth_min'] == D['LRazimuth_max']) # conversion for paired values for a,b in ('center_x','center_y'),('LRazimuth_min','LRazimuth_max'),('IOtth_min','IOtth_max'): r = a.split('_')[0] D[r] = [D[a],D[b]] if r in ['LRazimuth',]: D[r] = [int(D[a]),int(D[b])] del D[a] del D[b] interpDict,imgctrl = D,imctfile if GSASIIpath.GetConfigValue('debug'): print ('DBG_interpolated values: ',interpDict) f = os.path.split(imgctrl)[1] ImageControls = ControlsTable[f] ImageControls.update(interpDict) ImageControls['showLines'] = True ImageControls['ring'] = [] ImageControls['rings'] = [] ImageControls['ellipses'] = [] ImageControls['setDefault'] = False for i in 'range','size','GonioAngles': if i in ImageControls: del ImageControls[i] ImageMasks = MaskTable.get(f) return ImageControls,ImageMasks
########################################################################### if __name__ == "__main__": GSASIIpath.InvokeDebugOpts() App = wx.App() class dummyClass(object): '''An empty class where a few values needed from parent are placed ''' def __init__(self): self.Image = None self.PauseIntegration = False self.TutorialImportDir = None self.GSASprojectfile = '' self.LastExportDir = '' self.LastGPXdir = '' G2frame = dummyClass() frm = AutoIntFrame(G2frame,5) App.GetTopWindow().Show(True) App.MainLoop()