| 1 | #GSASII plotting routines |
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| 2 | ########### SVN repository information ################### |
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| 3 | # $Date: 2011-10-20 16:38:12 +0000 (Thu, 20 Oct 2011) $ |
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| 4 | # $Author: vondreele $ |
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| 5 | # $Revision: 396 $ |
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| 6 | # $URL: trunk/GSASIIplot.py $ |
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| 7 | # $Id: GSASIIplot.py 396 2011-10-20 16:38:12Z vondreele $ |
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| 8 | ########### SVN repository information ################### |
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| 9 | import math |
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| 10 | import time |
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| 11 | import copy |
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| 12 | import os.path |
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| 13 | import numpy as np |
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| 14 | import numpy.linalg as nl |
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| 15 | import wx |
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| 16 | import wx.aui |
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| 17 | import wx.glcanvas |
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| 18 | import matplotlib as mpl |
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| 19 | import mpl_toolkits.mplot3d.axes3d as mp3d |
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| 20 | import GSASIIpath |
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| 21 | import GSASIIgrid as G2gd |
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| 22 | import GSASIIimage as G2img |
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| 23 | import GSASIIpwd as G2pwd |
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| 24 | import GSASIIIO as G2IO |
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| 25 | import GSASIIpwdGUI as G2pdG |
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| 26 | import GSASIIimgGUI as G2imG |
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| 27 | import GSASIIphsGUI as G2phG |
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| 28 | import GSASIIlattice as G2lat |
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| 29 | import GSASIIspc as G2spc |
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| 30 | import pytexture as ptx |
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| 31 | from OpenGL.GL import * |
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| 32 | from OpenGL.GLU import * |
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| 33 | from OpenGL.GLUT import * |
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| 34 | from OpenGL.GLE import * |
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| 35 | from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as Canvas |
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| 36 | from matplotlib.backends.backend_wxagg import NavigationToolbar2Wx as Toolbar |
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| 37 | |
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| 38 | # useful degree trig functions |
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| 39 | sind = lambda x: math.sin(x*math.pi/180.) |
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| 40 | cosd = lambda x: math.cos(x*math.pi/180.) |
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| 41 | tand = lambda x: math.tan(x*math.pi/180.) |
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| 42 | asind = lambda x: 180.*math.asin(x)/math.pi |
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| 43 | acosd = lambda x: 180.*math.acos(x)/math.pi |
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| 44 | atan2d = lambda x,y: 180.*math.atan2(y,x)/math.pi |
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| 45 | atand = lambda x: 180.*math.atan(x)/math.pi |
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| 46 | # numpy versions |
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| 47 | npsind = lambda x: np.sin(x*np.pi/180.) |
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| 48 | npcosd = lambda x: np.cos(x*np.pi/180.) |
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| 49 | npacosd = lambda x: 180.*np.arccos(x)/np.pi |
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| 50 | npasind = lambda x: 180.*np.arcsin(x)/np.pi |
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| 51 | npatand = lambda x: 180.*np.arctan(x)/np.pi |
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| 52 | npatan2d = lambda x,y: 180.*np.arctan2(x,y)/np.pi |
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| 53 | |
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| 54 | class G2PlotMpl(wx.Panel): |
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| 55 | def __init__(self,parent,id=-1,dpi=None,**kwargs): |
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| 56 | wx.Panel.__init__(self,parent,id=id,**kwargs) |
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| 57 | mpl.rcParams['legend.fontsize'] = 8 |
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| 58 | self.figure = mpl.figure.Figure(dpi=dpi,figsize=(5,7)) |
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| 59 | self.canvas = Canvas(self,-1,self.figure) |
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| 60 | self.toolbar = Toolbar(self.canvas) |
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| 61 | |
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| 62 | self.toolbar.Realize() |
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| 63 | |
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| 64 | sizer=wx.BoxSizer(wx.VERTICAL) |
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| 65 | sizer.Add(self.canvas,1,wx.EXPAND) |
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| 66 | sizer.Add(self.toolbar,0,wx.LEFT|wx.EXPAND) |
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| 67 | self.SetSizer(sizer) |
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| 68 | |
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| 69 | class G2PlotOgl(wx.Panel): |
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| 70 | def __init__(self,parent,id=-1,dpi=None,**kwargs): |
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| 71 | self.figure = wx.Panel.__init__(self,parent,id=id,**kwargs) |
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| 72 | self.canvas = wx.glcanvas.GLCanvas(self,-1,**kwargs) |
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| 73 | self.camera = {} |
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| 74 | sizer=wx.BoxSizer(wx.VERTICAL) |
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| 75 | sizer.Add(self.canvas,1,wx.EXPAND) |
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| 76 | self.SetSizer(sizer) |
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| 77 | |
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| 78 | class G2Plot3D(wx.Panel): |
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| 79 | def __init__(self,parent,id=-1,dpi=None,**kwargs): |
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| 80 | wx.Panel.__init__(self,parent,id=id,**kwargs) |
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| 81 | self.figure = mpl.figure.Figure(dpi=dpi,figsize=(6,6)) |
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| 82 | self.canvas = Canvas(self,-1,self.figure) |
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| 83 | self.toolbar = Toolbar(self.canvas) |
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| 84 | |
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| 85 | self.toolbar.Realize() |
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| 86 | |
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| 87 | sizer=wx.BoxSizer(wx.VERTICAL) |
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| 88 | sizer.Add(self.canvas,1,wx.EXPAND) |
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| 89 | sizer.Add(self.toolbar,0,wx.LEFT|wx.EXPAND) |
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| 90 | self.SetSizer(sizer) |
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| 91 | |
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| 92 | class G2PlotNoteBook(wx.Panel): |
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| 93 | def __init__(self,parent,id=-1): |
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| 94 | wx.Panel.__init__(self,parent,id=id) |
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| 95 | #so one can't delete a plot page!! |
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| 96 | self.nb = wx.aui.AuiNotebook(self, \ |
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| 97 | style=wx.aui.AUI_NB_DEFAULT_STYLE ^ wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB) |
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| 98 | sizer = wx.BoxSizer() |
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| 99 | sizer.Add(self.nb,1,wx.EXPAND) |
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| 100 | self.SetSizer(sizer) |
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| 101 | self.status = parent.CreateStatusBar() |
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| 102 | self.status.SetFieldsCount(2) |
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| 103 | self.status.SetStatusWidths([150,-1]) |
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| 104 | self.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED, self.OnPageChanged) |
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| 105 | |
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| 106 | self.plotList = [] |
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| 107 | |
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| 108 | def addMpl(self,name=""): |
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| 109 | page = G2PlotMpl(self.nb) |
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| 110 | self.nb.AddPage(page,name) |
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| 111 | |
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| 112 | self.plotList.append(name) |
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| 113 | |
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| 114 | return page.figure |
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| 115 | |
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| 116 | def add3D(self,name=""): |
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| 117 | page = G2Plot3D(self.nb) |
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| 118 | self.nb.AddPage(page,name) |
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| 119 | |
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| 120 | self.plotList.append(name) |
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| 121 | |
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| 122 | return page.figure |
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| 123 | |
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| 124 | def addOgl(self,name=""): |
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| 125 | page = G2PlotOgl(self.nb) |
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| 126 | self.nb.AddPage(page,name) |
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| 127 | |
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| 128 | self.plotList.append(name) |
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| 129 | |
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| 130 | return page.figure |
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| 131 | |
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| 132 | def Delete(self,name): |
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| 133 | try: |
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| 134 | item = self.plotList.index(name) |
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| 135 | del self.plotList[item] |
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| 136 | self.nb.DeletePage(item) |
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| 137 | except ValueError: #no plot of this name - do nothing |
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| 138 | return |
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| 139 | |
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| 140 | def clear(self): |
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| 141 | while self.nb.GetPageCount(): |
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| 142 | self.nb.DeletePage(0) |
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| 143 | self.plotList = [] |
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| 144 | self.status.DestroyChildren() |
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| 145 | |
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| 146 | def Rename(self,oldName,newName): |
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| 147 | try: |
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| 148 | item = self.plotList.index(oldName) |
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| 149 | self.plotList[item] = newName |
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| 150 | self.nb.SetPageText(item,newName) |
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| 151 | except ValueError: #no plot of this name - do nothing |
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| 152 | return |
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| 153 | |
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| 154 | def OnPageChanged(self,event): |
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| 155 | if self.plotList: |
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| 156 | self.status.SetStatusText('Better to select this from GSAS-II data tree',1) |
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| 157 | self.status.DestroyChildren() #get rid of special stuff on status bar |
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| 158 | |
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| 159 | def PlotSngl(self,newPlot=False): |
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| 160 | '''Single crystal structure factor plotting package - displays zone of reflections as rings proportional |
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| 161 | to F, F**2, etc. as requested |
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| 162 | ''' |
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| 163 | from matplotlib.patches import Circle |
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| 164 | global HKL,HKLF |
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| 165 | |
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| 166 | def OnSCMotion(event): |
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| 167 | xpos = event.xdata |
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| 168 | if xpos: |
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| 169 | xpos = round(xpos) #avoid out of frame mouse position |
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| 170 | ypos = round(event.ydata) |
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| 171 | zpos = Data['Layer'] |
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| 172 | if '100' in Data['Zone']: |
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| 173 | HKLtxt = '(%3d,%3d,%3d)'%(zpos,xpos,ypos) |
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| 174 | elif '010' in Data['Zone']: |
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| 175 | HKLtxt = '(%3d,%3d,%3d)'%(xpos,zpos,ypos) |
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| 176 | elif '001' in Data['Zone']: |
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| 177 | HKLtxt = '(%3d,%3d,%3d)'%(xpos,ypos,zpos) |
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| 178 | Page.canvas.SetToolTipString(HKLtxt) |
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| 179 | self.G2plotNB.status.SetFields(['HKL = '+HKLtxt,'']) |
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| 180 | |
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| 181 | def OnSCPick(event): |
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| 182 | zpos = Data['Layer'] |
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| 183 | pos = event.artist.center |
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| 184 | if '100' in Data['Zone']: |
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| 185 | Page.canvas.SetToolTipString('(picked:(%3d,%3d,%3d))'%(zpos,pos[0],pos[1])) |
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| 186 | hkl = np.array([zpos,pos[0],pos[1]]) |
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| 187 | elif '010' in Data['Zone']: |
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| 188 | Page.canvas.SetToolTipString('(picked:(%3d,%3d,%3d))'%(pos[0],zpos,pos[1])) |
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| 189 | hkl = np.array([pos[0],zpos,pos[1]]) |
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| 190 | elif '001' in Data['Zone']: |
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| 191 | Page.canvas.SetToolTipString('(picked:(%3d,%3d,%3d))'%(pos[0],pos[1],zpos)) |
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| 192 | hkl = np.array([pos[0],pos[1],zpos]) |
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| 193 | h,k,l = hkl |
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| 194 | hklf = HKLF[np.where(np.all(HKL-hkl == [0,0,0],axis=1))] |
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| 195 | if len(hklf): |
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| 196 | Fosq,sig,Fcsq = hklf[0] |
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| 197 | HKLtxt = '(%3d,%3d,%3d %.2f %.3f %.2f %.2f)'%(h,k,l,Fosq,sig,Fcsq,(Fosq-Fcsq)/(scale*sig)) |
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| 198 | self.G2plotNB.status.SetFields(['','HKL, Fosq, sig, Fcsq, delFsq/sig = '+HKLtxt]) |
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| 199 | |
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| 200 | def OnSCKeyPress(event): |
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| 201 | print event.key |
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| 202 | |
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| 203 | try: |
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| 204 | plotNum = self.G2plotNB.plotList.index('Structure Factors') |
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| 205 | Page = self.G2plotNB.nb.GetPage(plotNum) |
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| 206 | if not newPlot: |
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| 207 | Plot = Page.figure.gca() #get previous powder plot & get limits |
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| 208 | xylim = Plot.get_xlim(),Plot.get_ylim() |
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| 209 | Page.figure.clf() |
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| 210 | Plot = Page.figure.gca() #get a fresh plot after clf() |
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| 211 | except ValueError: |
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| 212 | Plot = self.G2plotNB.addMpl('Structure Factors').gca() |
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| 213 | plotNum = self.G2plotNB.plotList.index('Structure Factors') |
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| 214 | Page = self.G2plotNB.nb.GetPage(plotNum) |
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| 215 | # Page.canvas.mpl_connect('key_press_event', OnSCKeyPress) |
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| 216 | Page.canvas.mpl_connect('pick_event', OnSCPick) |
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| 217 | Page.canvas.mpl_connect('motion_notify_event', OnSCMotion) |
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| 218 | Page.SetFocus() |
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| 219 | |
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| 220 | Plot.set_aspect(aspect='equal') |
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| 221 | HKLref = self.PatternTree.GetItemPyData(self.Sngl) |
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| 222 | Data = self.PatternTree.GetItemPyData( \ |
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| 223 | G2gd.GetPatternTreeItemId(self,self.Sngl, 'HKL Plot Controls')) |
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| 224 | Type = Data['Type'] |
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| 225 | scale = Data['Scale'] |
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| 226 | HKLmax = Data['HKLmax'] |
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| 227 | HKLmin = Data['HKLmin'] |
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| 228 | FosqMax = Data['FoMax'] |
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| 229 | FoMax = math.sqrt(FosqMax) |
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| 230 | ifFc = Data['ifFc'] |
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| 231 | xlabel = ['k, h=','h, k=','h, l='] |
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| 232 | ylabel = ['l','l','k'] |
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| 233 | zones = ['100','010','001'] |
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| 234 | pzone = [[1,2],[0,2],[0,1]] |
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| 235 | izone = zones.index(Data['Zone']) |
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| 236 | Plot.set_title(self.PatternTree.GetItemText(self.Sngl)[5:]) |
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| 237 | HKL = [] |
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| 238 | HKLF = [] |
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| 239 | for H,Fosq,sig,Fcsq,x,x,x in HKLref: |
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| 240 | HKL.append(H) |
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| 241 | HKLF.append([Fosq,sig,Fcsq]) |
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| 242 | if H[izone] == Data['Layer']: |
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| 243 | B = 0 |
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| 244 | if Type == 'Fosq': |
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| 245 | A = scale*Fosq/FosqMax |
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| 246 | B = scale*Fcsq/FosqMax |
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| 247 | C = abs(A-B) |
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| 248 | elif Type == 'Fo': |
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| 249 | A = scale*math.sqrt(max(0,Fosq))/FoMax |
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| 250 | B = scale*math.sqrt(max(0,Fcsq))/FoMax |
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| 251 | C = abs(A-B) |
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| 252 | elif Type == '|DFsq|/sig': |
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| 253 | A = abs(Fosq-Fcsq)/(scale*sig) |
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| 254 | elif Type == '|DFsq|>sig': |
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| 255 | A = abs(Fosq-Fcsq)/(scale*sig) |
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| 256 | if A < 1.0: A = 0 |
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| 257 | elif Type == '|DFsq|>3sig': |
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| 258 | A = abs(Fosq-Fcsq)/(scale*sig) |
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| 259 | if A < 3.0: A = 0 |
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| 260 | xy = (H[pzone[izone][0]],H[pzone[izone][1]]) |
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| 261 | if A > 0.0: |
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| 262 | Plot.add_artist(Circle(xy,radius=A,ec='g',fc='w',picker=3)) |
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| 263 | if B: |
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| 264 | Plot.add_artist(Circle(xy,radius=B,ec='b',fc='w')) |
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| 265 | radius = C |
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| 266 | if radius > 0: |
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| 267 | if A > B: |
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| 268 | Plot.add_artist(Circle(xy,radius=radius,ec='g',fc='g')) |
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| 269 | else: |
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| 270 | Plot.add_artist(Circle(xy,radius=radius,ec='r',fc='r')) |
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| 271 | HKL = np.array(HKL,dtype=np.int) |
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| 272 | HKLF = np.array(HKLF) |
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| 273 | Plot.set_xlabel(xlabel[izone]+str(Data['Layer']),fontsize=12) |
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| 274 | Plot.set_ylabel(ylabel[izone],fontsize=12) |
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| 275 | Plot.set_xlim((HKLmin[pzone[izone][0]],HKLmax[pzone[izone][0]])) |
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| 276 | Plot.set_ylim((HKLmin[pzone[izone][1]],HKLmax[pzone[izone][1]])) |
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| 277 | if not newPlot: |
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| 278 | Page.toolbar.push_current() |
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| 279 | Plot.set_xlim(xylim[0]) |
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| 280 | Plot.set_ylim(xylim[1]) |
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| 281 | xylim = [] |
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| 282 | Page.toolbar.push_current() |
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| 283 | Page.toolbar.draw() |
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| 284 | else: |
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| 285 | Page.canvas.draw() |
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| 286 | |
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| 287 | def PlotPatterns(self,newPlot=False): |
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| 288 | '''Powder pattern plotting package - displays single or multiple powder patterns as intensity vs |
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| 289 | 2-theta or q (future TOF). Can display multiple patterns as "waterfall plots" or contour plots. Log I |
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| 290 | plotting available. |
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| 291 | ''' |
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| 292 | global HKL |
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| 293 | |
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| 294 | def OnPick(event): |
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| 295 | if self.itemPicked is not None: return |
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| 296 | PatternId = self.PatternId |
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| 297 | try: |
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| 298 | Values,Names = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,self.PatternId, 'Instrument Parameters'))[1::2] |
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| 299 | except TypeError: |
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| 300 | return |
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| 301 | Parms = dict(zip(Names,Values)) |
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| 302 | try: |
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| 303 | wave = Parms['Lam'] |
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| 304 | except KeyError: |
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| 305 | wave = Parms['Lam1'] |
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| 306 | PickId = self.PickId |
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| 307 | pick = event.artist |
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| 308 | mouse = event.mouseevent |
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| 309 | xpos = pick.get_xdata() |
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| 310 | ypos = pick.get_ydata() |
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| 311 | ind = event.ind |
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| 312 | xy = list(zip(np.take(xpos,ind),np.take(ypos,ind))[0]) |
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| 313 | if self.PatternTree.GetItemText(PickId) == 'Peak List': |
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| 314 | if ind.all() != [0]: #picked a data point |
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| 315 | if 'C' in Parms['Type']: #CW data - TOF later in an elif |
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| 316 | ins = [Parms[x] for x in ['U','V','W','X','Y']] |
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| 317 | if self.qPlot: #qplot - convert back to 2-theta |
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| 318 | xy[0] = 2.0*asind(xy[0]*wave/(4*math.pi)) |
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| 319 | sig = ins[0]*tand(xy[0]/2.0)**2+ins[1]*tand(xy[0]/2.0)+ins[2] |
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| 320 | gam = ins[3]/cosd(xy[0]/2.0)+ins[4]*tand(xy[0]/2.0) |
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| 321 | data = self.PatternTree.GetItemPyData(self.PickId) |
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| 322 | XY = [xy[0],0, xy[1],1, sig,0, gam,0] #default refine intensity 1st |
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| 323 | data.append(XY) |
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| 324 | G2pdG.UpdatePeakGrid(self,data) |
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| 325 | PlotPatterns(self) |
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| 326 | else: #picked a peak list line |
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| 327 | self.itemPicked = pick |
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| 328 | elif self.PatternTree.GetItemText(PickId) == 'Limits': |
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| 329 | if ind.all() != [0]: #picked a data point |
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| 330 | LimitId = G2gd.GetPatternTreeItemId(self,PatternId, 'Limits') |
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| 331 | data = self.PatternTree.GetItemPyData(LimitId) |
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| 332 | if 'C' in Parms['Type']: #CW data - TOF later in an elif |
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| 333 | if self.qPlot: #qplot - convert back to 2-theta |
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| 334 | xy[0] = 2.0*asind(xy[0]*wave/(4*math.pi)) |
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| 335 | if mouse.button==1: |
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| 336 | data[1][0] = min(xy[0],data[1][1]) |
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| 337 | if mouse.button==3: |
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| 338 | data[1][1] = max(xy[0],data[1][0]) |
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| 339 | self.PatternTree.SetItemPyData(LimitId,data) |
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| 340 | G2pdG.UpdateLimitsGrid(self,data) |
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| 341 | PlotPatterns(self) |
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| 342 | else: #picked a limit line |
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| 343 | self.itemPicked = pick |
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| 344 | elif self.PatternTree.GetItemText(PickId) == 'Reflection Lists': |
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| 345 | if ind.all() == [0]: #picked a limit line |
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| 346 | self.itemPicked = pick |
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| 347 | |
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| 348 | def OnPlotKeyPress(event): |
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| 349 | newPlot = False |
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| 350 | if event.key == 'w': |
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| 351 | if self.Weight: |
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| 352 | self.Weight = False |
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| 353 | else: |
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| 354 | self.Weight = True |
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| 355 | print 'plot weighting:',self.Weight |
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| 356 | elif event.key == 'n': |
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| 357 | if self.Contour: |
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| 358 | pass |
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| 359 | else: |
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| 360 | if self.logPlot: |
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| 361 | self.logPlot = False |
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| 362 | else: |
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| 363 | self.Offset[0] = 0 |
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| 364 | self.logPlot = True |
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| 365 | elif event.key == 'u': |
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| 366 | if self.Contour: |
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| 367 | self.Cmax = min(1.0,self.Cmax*1.2) |
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| 368 | elif self.logPlot: |
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| 369 | pass |
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| 370 | elif self.Offset[0] < 100.: |
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| 371 | self.Offset[0] += 1. |
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| 372 | elif event.key == 'd': |
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| 373 | if self.Contour: |
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| 374 | self.Cmax = max(0.0,self.Cmax*0.8) |
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| 375 | elif self.logPlot: |
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| 376 | pass |
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| 377 | elif self.Offset[0] > 0.: |
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| 378 | self.Offset[0] -= 1. |
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| 379 | elif event.key == 'l': |
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| 380 | self.Offset[1] -= 1. |
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| 381 | elif event.key == 'r': |
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| 382 | self.Offset[1] += 1. |
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| 383 | elif event.key == 'o': |
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| 384 | self.Offset = [0,0] |
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| 385 | elif event.key == 'c': |
|---|
| 386 | newPlot = True |
|---|
| 387 | if self.Contour: |
|---|
| 388 | self.Contour = False |
|---|
| 389 | else: |
|---|
| 390 | self.Contour = True |
|---|
| 391 | self.SinglePlot = False |
|---|
| 392 | self.Offset = [0.,0.] |
|---|
| 393 | elif event.key == 'q': |
|---|
| 394 | newPlot = True |
|---|
| 395 | if self.qPlot: |
|---|
| 396 | self.qPlot = False |
|---|
| 397 | else: |
|---|
| 398 | self.qPlot = True |
|---|
| 399 | elif event.key == 's': |
|---|
| 400 | if self.Contour: |
|---|
| 401 | choice = [m for m in mpl.cm.datad.keys() if not m.endswith("_r")] |
|---|
| 402 | choice.sort() |
|---|
| 403 | dlg = wx.SingleChoiceDialog(self,'Select','Color scheme',choice) |
|---|
| 404 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 405 | sel = dlg.GetSelection() |
|---|
| 406 | self.ContourColor = choice[sel] |
|---|
| 407 | else: |
|---|
| 408 | self.ContourColor = 'Paired' |
|---|
| 409 | dlg.Destroy() |
|---|
| 410 | else: |
|---|
| 411 | if self.SinglePlot: |
|---|
| 412 | self.SinglePlot = False |
|---|
| 413 | else: |
|---|
| 414 | self.SinglePlot = True |
|---|
| 415 | elif event.key == '+': |
|---|
| 416 | if self.PickId: |
|---|
| 417 | self.PickId = False |
|---|
| 418 | elif event.key == 'i': #for smoothing contour plot |
|---|
| 419 | choice = ['nearest','bilinear','bicubic','spline16','spline36','hanning', |
|---|
| 420 | 'hamming','hermite','kaiser','quadric','catrom','gaussian','bessel', |
|---|
| 421 | 'mitchell','sinc','lanczos'] |
|---|
| 422 | dlg = wx.SingleChoiceDialog(self,'Select','Interpolation',choice) |
|---|
| 423 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 424 | sel = dlg.GetSelection() |
|---|
| 425 | self.Interpolate = choice[sel] |
|---|
| 426 | else: |
|---|
| 427 | self.Interpolate = 'nearest' |
|---|
| 428 | dlg.Destroy() |
|---|
| 429 | |
|---|
| 430 | PlotPatterns(self,newPlot=newPlot) |
|---|
| 431 | |
|---|
| 432 | def OnKeyBox(event): |
|---|
| 433 | if self.G2plotNB.nb.GetSelection() == self.G2plotNB.plotList.index('Powder Patterns'): |
|---|
| 434 | event.key = cb.GetValue()[0] |
|---|
| 435 | cb.SetValue(' key press') |
|---|
| 436 | OnPlotKeyPress(event) |
|---|
| 437 | |
|---|
| 438 | def OnMotion(event): |
|---|
| 439 | xpos = event.xdata |
|---|
| 440 | if xpos: #avoid out of frame mouse position |
|---|
| 441 | ypos = event.ydata |
|---|
| 442 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 443 | try: |
|---|
| 444 | Values,Names = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,self.PatternId, 'Instrument Parameters'))[1::2] |
|---|
| 445 | Parms = dict(zip(Names,Values)) |
|---|
| 446 | try: |
|---|
| 447 | wave = Parms['Lam'] |
|---|
| 448 | except KeyError: |
|---|
| 449 | wave = Parms['Lam1'] |
|---|
| 450 | if self.qPlot: |
|---|
| 451 | xpos = 2.0*asind(xpos*wave/(4*math.pi)) |
|---|
| 452 | dsp = 0.0 |
|---|
| 453 | if abs(xpos) > 0.: #avoid possible singularity at beam center |
|---|
| 454 | dsp = wave/(2.*sind(abs(xpos)/2.0)) |
|---|
| 455 | if self.Contour: |
|---|
| 456 | self.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f pattern ID =%5d'%(xpos,dsp,int(ypos)),1) |
|---|
| 457 | else: |
|---|
| 458 | self.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f Intensity =%9.1f'%(xpos,dsp,ypos),1) |
|---|
| 459 | if self.itemPicked: |
|---|
| 460 | Page.canvas.SetToolTipString('%9.3f'%(xpos)) |
|---|
| 461 | if self.PickId: |
|---|
| 462 | found = [] |
|---|
| 463 | if self.PatternTree.GetItemText(self.PickId) in ['Index Peak List','Unit Cells List','Reflection Lists']: |
|---|
| 464 | if len(HKL): |
|---|
| 465 | view = Page.toolbar._views.forward()[0][:2] |
|---|
| 466 | wid = view[1]-view[0] |
|---|
| 467 | found = HKL[np.where(np.fabs(HKL.T[5]-xpos) < 0.002*wid)] |
|---|
| 468 | if len(found): |
|---|
| 469 | h,k,l = found[0][:3] |
|---|
| 470 | Page.canvas.SetToolTipString('%d,%d,%d'%(int(h),int(k),int(l))) |
|---|
| 471 | else: |
|---|
| 472 | Page.canvas.SetToolTipString('') |
|---|
| 473 | |
|---|
| 474 | except TypeError: |
|---|
| 475 | self.G2plotNB.status.SetStatusText('Select PWDR powder pattern first',1) |
|---|
| 476 | |
|---|
| 477 | def OnRelease(event): |
|---|
| 478 | if self.itemPicked is None: return |
|---|
| 479 | Values,Names = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,self.PatternId, 'Instrument Parameters'))[1::2] |
|---|
| 480 | Parms = dict(zip(Names,Values)) |
|---|
| 481 | try: |
|---|
| 482 | wave = Parms['Lam'] |
|---|
| 483 | except KeyError: |
|---|
| 484 | wave = Parms['Lam1'] |
|---|
| 485 | xpos = event.xdata |
|---|
| 486 | if xpos: #avoid out of frame mouse position |
|---|
| 487 | lines = [] |
|---|
| 488 | for line in self.Lines: lines.append(line.get_xdata()[0]) |
|---|
| 489 | lineNo = lines.index(self.itemPicked.get_xdata()[0]) |
|---|
| 490 | if lineNo in [0,1]: |
|---|
| 491 | LimitId = G2gd.GetPatternTreeItemId(self,self.PatternId, 'Limits') |
|---|
| 492 | data = self.PatternTree.GetItemPyData(LimitId) |
|---|
| 493 | # print 'limits',xpos |
|---|
| 494 | if self.qPlot: |
|---|
| 495 | data[1][lineNo] = 2.0*asind(wave*xpos/(4*math.pi)) |
|---|
| 496 | else: |
|---|
| 497 | data[1][lineNo] = xpos |
|---|
| 498 | self.PatternTree.SetItemPyData(LimitId,data) |
|---|
| 499 | if self.PatternTree.GetItemText(self.PickId) == 'Limits': |
|---|
| 500 | G2pdG.UpdateLimitsGrid(self,data) |
|---|
| 501 | else: |
|---|
| 502 | PeakId = G2gd.GetPatternTreeItemId(self,self.PatternId, 'Peak List') |
|---|
| 503 | data = self.PatternTree.GetItemPyData(PeakId) |
|---|
| 504 | # print 'peaks',xpos |
|---|
| 505 | if event.button == 3: |
|---|
| 506 | del data[lineNo-2] |
|---|
| 507 | else: |
|---|
| 508 | if self.qPlot: |
|---|
| 509 | data[lineNo-2][0] = 2.0*asind(wave*xpos/(4*math.pi)) |
|---|
| 510 | else: |
|---|
| 511 | data[lineNo-2][0] = xpos |
|---|
| 512 | self.PatternTree.SetItemPyData(PeakId,data) |
|---|
| 513 | G2pdG.UpdatePeakGrid(self,data) |
|---|
| 514 | PlotPatterns(self) |
|---|
| 515 | self.itemPicked = None |
|---|
| 516 | |
|---|
| 517 | xylim = [] |
|---|
| 518 | try: |
|---|
| 519 | plotNum = self.G2plotNB.plotList.index('Powder Patterns') |
|---|
| 520 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 521 | if not newPlot: |
|---|
| 522 | Plot = Page.figure.gca() #get previous powder plot & get limits |
|---|
| 523 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 524 | Page.figure.clf() |
|---|
| 525 | Plot = Page.figure.gca() #get a fresh plot after clf() |
|---|
| 526 | except ValueError: |
|---|
| 527 | newPlot = True |
|---|
| 528 | self.Cmax = 1.0 |
|---|
| 529 | Plot = self.G2plotNB.addMpl('Powder Patterns').gca() |
|---|
| 530 | plotNum = self.G2plotNB.plotList.index('Powder Patterns') |
|---|
| 531 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 532 | Page.canvas.mpl_connect('key_press_event', OnPlotKeyPress) |
|---|
| 533 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 534 | Page.canvas.mpl_connect('pick_event', OnPick) |
|---|
| 535 | Page.canvas.mpl_connect('button_release_event', OnRelease) |
|---|
| 536 | Page.SetFocus() |
|---|
| 537 | self.G2plotNB.status.DestroyChildren() |
|---|
| 538 | if self.Contour: |
|---|
| 539 | Choice = (' key press','d: lower contour max','u: raise contour max', |
|---|
| 540 | 'i: interpolation method','s: color scheme','c: contour off') |
|---|
| 541 | else: |
|---|
| 542 | if self.logPlot: |
|---|
| 543 | Choice = (' key press','n: log(I) off','l: offset left','r: offset right', |
|---|
| 544 | 'c: contour on','q: toggle q plot','s: toggle single plot','+: no selection') |
|---|
| 545 | else: |
|---|
| 546 | Choice = (' key press','l: offset left','r: offset right','d: offset down', |
|---|
| 547 | 'u: offset up','o: reset offset','n: log(I) on','c: contour on', |
|---|
| 548 | 'q: toggle q plot','s: toggle single plot','+: no selection') |
|---|
| 549 | cb = wx.ComboBox(self.G2plotNB.status,style=wx.CB_DROPDOWN|wx.CB_READONLY, |
|---|
| 550 | choices=Choice) |
|---|
| 551 | cb.Bind(wx.EVT_COMBOBOX, OnKeyBox) |
|---|
| 552 | cb.SetValue(' key press') |
|---|
| 553 | |
|---|
| 554 | PickId = self.PickId |
|---|
| 555 | PatternId = self.PatternId |
|---|
| 556 | colors=['b','g','r','c','m','k'] |
|---|
| 557 | Lines = [] |
|---|
| 558 | if self.SinglePlot: |
|---|
| 559 | Pattern = self.PatternTree.GetItemPyData(PatternId) |
|---|
| 560 | Pattern.append(self.PatternTree.GetItemText(PatternId)) |
|---|
| 561 | PlotList = [Pattern,] |
|---|
| 562 | ParmList = [self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self, |
|---|
| 563 | self.PatternId, 'Instrument Parameters'))[1],] |
|---|
| 564 | else: |
|---|
| 565 | PlotList = [] |
|---|
| 566 | ParmList = [] |
|---|
| 567 | item, cookie = self.PatternTree.GetFirstChild(self.root) |
|---|
| 568 | while item: |
|---|
| 569 | if 'PWDR' in self.PatternTree.GetItemText(item): |
|---|
| 570 | Pattern = self.PatternTree.GetItemPyData(item) |
|---|
| 571 | if len(Pattern) < 3: # put name on end if needed |
|---|
| 572 | Pattern.append(self.PatternTree.GetItemText(item)) |
|---|
| 573 | PlotList.append(Pattern) |
|---|
| 574 | ParmList.append(self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self, |
|---|
| 575 | item,'Instrument Parameters'))[1]) |
|---|
| 576 | item, cookie = self.PatternTree.GetNextChild(self.root, cookie) |
|---|
| 577 | Ymax = 1.0 |
|---|
| 578 | lenX = 0 |
|---|
| 579 | if self.PatternTree.GetItemText(PickId) in ['Reflection Lists']: |
|---|
| 580 | Phases = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId,'Reflection Lists')) |
|---|
| 581 | HKL = [] |
|---|
| 582 | for peak in Phases[self.RefList]: |
|---|
| 583 | HKL.append(peak[:6]) |
|---|
| 584 | HKL = np.array(HKL) |
|---|
| 585 | else: |
|---|
| 586 | HKL = np.array(self.HKL) |
|---|
| 587 | for Pattern in PlotList: |
|---|
| 588 | xye = Pattern[1] |
|---|
| 589 | Ymax = max(Ymax,max(xye[1])) |
|---|
| 590 | offset = self.Offset[0]*Ymax/100.0 |
|---|
| 591 | Title = 'Powder Patterns: '+os.path.split(self.GSASprojectfile)[1] |
|---|
| 592 | if self.logPlot: |
|---|
| 593 | Title = 'log('+Title+')' |
|---|
| 594 | Plot.set_title(Title) |
|---|
| 595 | if self.qPlot: |
|---|
| 596 | Plot.set_xlabel(r'$q, \AA^{-1}$',fontsize=14) |
|---|
| 597 | else: |
|---|
| 598 | Plot.set_xlabel(r'$\mathsf{2\theta}$',fontsize=14) |
|---|
| 599 | Plot.set_ylabel('Intensity',fontsize=12) |
|---|
| 600 | if self.Contour: |
|---|
| 601 | ContourZ = [] |
|---|
| 602 | ContourY = [] |
|---|
| 603 | Nseq = 0 |
|---|
| 604 | for N,Pattern in enumerate(PlotList): |
|---|
| 605 | Parms = ParmList[N] |
|---|
| 606 | ifpicked = False |
|---|
| 607 | LimitId = 0 |
|---|
| 608 | xye = np.array(Pattern[1]) |
|---|
| 609 | if PickId: |
|---|
| 610 | ifpicked = Pattern[2] == self.PatternTree.GetItemText(PatternId) |
|---|
| 611 | LimitId = G2gd.GetPatternTreeItemId(self,PatternId, 'Limits') |
|---|
| 612 | if self.qPlot: |
|---|
| 613 | Id = G2gd.GetPatternTreeItemId(self,self.root, Pattern[2]) |
|---|
| 614 | X = 4*np.pi*npsind(xye[0]/2.0)/Parms[1] |
|---|
| 615 | else: |
|---|
| 616 | X = xye[0] |
|---|
| 617 | if not lenX: |
|---|
| 618 | lenX = len(X) |
|---|
| 619 | Y = xye[1]+offset*N |
|---|
| 620 | if LimitId: |
|---|
| 621 | limits = np.array(self.PatternTree.GetItemPyData(LimitId)) |
|---|
| 622 | if self.qPlot: |
|---|
| 623 | limits = 4*np.pi*npsind(limits/2.0)/Parms[1] |
|---|
| 624 | Lines.append(Plot.axvline(limits[1][0],color='g',dashes=(5,5),picker=3.)) |
|---|
| 625 | Lines.append(Plot.axvline(limits[1][1],color='r',dashes=(5,5),picker=3.)) |
|---|
| 626 | if self.Contour: |
|---|
| 627 | |
|---|
| 628 | if lenX == len(X): |
|---|
| 629 | ContourY.append(N) |
|---|
| 630 | ContourZ.append(Y) |
|---|
| 631 | ContourX = X |
|---|
| 632 | Nseq += 1 |
|---|
| 633 | Plot.set_ylabel('Data sequence',fontsize=12) |
|---|
| 634 | else: |
|---|
| 635 | X += self.Offset[1]*.005*N |
|---|
| 636 | if ifpicked: |
|---|
| 637 | Z = xye[3]+offset*N |
|---|
| 638 | W = xye[4]+offset*N |
|---|
| 639 | D = xye[5]+offset*N-Ymax*.02 |
|---|
| 640 | if self.Weight: |
|---|
| 641 | W2 = np.sqrt(xye[2]) |
|---|
| 642 | D *= W2-Ymax*.02 |
|---|
| 643 | if self.logPlot: |
|---|
| 644 | Plot.semilogy(X,Y,colors[N%6]+'+',picker=3.,clip_on=False,nonposy='mask') |
|---|
| 645 | Plot.semilogy(X,Z,colors[(N+1)%6],picker=False,nonposy='mask') |
|---|
| 646 | Plot.semilogy(X,W,colors[(N+2)%6],picker=False,nonposy='mask') |
|---|
| 647 | else: |
|---|
| 648 | Plot.plot(X,Y,colors[N%6]+'+',picker=3.,clip_on=False) |
|---|
| 649 | Plot.plot(X,Z,colors[(N+1)%6],picker=False) |
|---|
| 650 | Plot.plot(X,W,colors[(N+2)%6],picker=False) |
|---|
| 651 | Plot.plot(X,D,colors[(N+3)%6],picker=False) |
|---|
| 652 | Plot.axhline(0.,color=wx.BLACK) |
|---|
| 653 | Page.canvas.SetToolTipString('') |
|---|
| 654 | if self.PatternTree.GetItemText(PickId) == 'Peak List': |
|---|
| 655 | tip = 'On data point: Pick peak - L or R MB. On line: L-move, R-delete' |
|---|
| 656 | Page.canvas.SetToolTipString(tip) |
|---|
| 657 | data = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId, 'Peak List')) |
|---|
| 658 | for item in data: |
|---|
| 659 | if self.qPlot: |
|---|
| 660 | Lines.append(Plot.axvline(4*math.pi*sind(item[0]/2.)/Parms[1],color=colors[N%6],picker=2.)) |
|---|
| 661 | else: |
|---|
| 662 | Lines.append(Plot.axvline(item[0],color=colors[N%6],picker=2.)) |
|---|
| 663 | if self.PatternTree.GetItemText(PickId) == 'Limits': |
|---|
| 664 | tip = 'On data point: Lower limit - L MB; Upper limit - R MB. On limit: MB down to move' |
|---|
| 665 | Page.canvas.SetToolTipString(tip) |
|---|
| 666 | data = self.LimitsTable.GetData() |
|---|
| 667 | else: |
|---|
| 668 | if self.logPlot: |
|---|
| 669 | Plot.semilogy(X,Y,colors[N%6],picker=False,nonposy='clip') |
|---|
| 670 | else: |
|---|
| 671 | Plot.plot(X,Y,colors[N%6],picker=False) |
|---|
| 672 | if PickId: |
|---|
| 673 | Values,Names = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId, 'Instrument Parameters'))[1::2] |
|---|
| 674 | Parms = dict(zip(Names,Values)) |
|---|
| 675 | try: |
|---|
| 676 | wave = Parms['Lam'] |
|---|
| 677 | except KeyError: |
|---|
| 678 | wave = Parms['Lam1'] |
|---|
| 679 | if self.PatternTree.GetItemText(PickId) in ['Index Peak List','Unit Cells List']: |
|---|
| 680 | peaks = np.array((self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId, 'Index Peak List')))) |
|---|
| 681 | for peak in peaks: |
|---|
| 682 | if self.qPlot: |
|---|
| 683 | Plot.axvline(4*np.pi*sind(peak[0]/2.0)/wave,color='b') |
|---|
| 684 | else: |
|---|
| 685 | Plot.axvline(peak[0],color='b') |
|---|
| 686 | for hkl in self.HKL: |
|---|
| 687 | if self.qPlot: |
|---|
| 688 | Plot.axvline(4*np.pi*sind(hkl[5]/2.0)/wave,color='r',dashes=(5,5)) |
|---|
| 689 | else: |
|---|
| 690 | Plot.axvline(hkl[5],color='r',dashes=(5,5)) |
|---|
| 691 | elif self.PatternTree.GetItemText(PickId) in ['Reflection Lists']: |
|---|
| 692 | Phases = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId,'Reflection Lists')) |
|---|
| 693 | for pId,phase in enumerate(Phases): |
|---|
| 694 | pId += 1 |
|---|
| 695 | peaks = Phases[phase] |
|---|
| 696 | for peak in peaks: |
|---|
| 697 | if self.qPlot: |
|---|
| 698 | Plot.plot(2*np.pi/peak[4],offset*N-pId*Ymax*.005,colors[pId%6]+'|',mew=1,ms=8,picker=2.) |
|---|
| 699 | else: |
|---|
| 700 | Plot.plot(peak[5],offset*N-pId*Ymax*.005,colors[pId%6]+'|',mew=1,ms=8,picker=2.) |
|---|
| 701 | |
|---|
| 702 | if self.Contour: |
|---|
| 703 | acolor = mpl.cm.get_cmap(self.ContourColor) |
|---|
| 704 | Img = Plot.imshow(ContourZ,cmap=acolor,vmin=0,vmax=Ymax*self.Cmax,interpolation=self.Interpolate, |
|---|
| 705 | extent=[ContourX[0],ContourX[-1],ContourY[0],ContourY[-1]],aspect='auto',origin='lower') |
|---|
| 706 | Page.figure.colorbar(Img) |
|---|
| 707 | else: |
|---|
| 708 | self.Lines = Lines |
|---|
| 709 | if not newPlot: |
|---|
| 710 | Page.toolbar.push_current() |
|---|
| 711 | Plot.set_xlim(xylim[0]) |
|---|
| 712 | Plot.set_ylim(xylim[1]) |
|---|
| 713 | xylim = [] |
|---|
| 714 | Page.toolbar.push_current() |
|---|
| 715 | Page.toolbar.draw() |
|---|
| 716 | else: |
|---|
| 717 | Page.canvas.draw() |
|---|
| 718 | self.Pwdr = True |
|---|
| 719 | |
|---|
| 720 | def PlotISFG(self,newPlot=False,type=''): |
|---|
| 721 | ''' PLotting package for PDF analysis; displays I(q), S(q), F(q) and G(r) as single |
|---|
| 722 | or multiple plots with waterfall and contour plots as options |
|---|
| 723 | ''' |
|---|
| 724 | if not type: |
|---|
| 725 | type = self.G2plotNB.plotList[self.G2plotNB.nb.GetSelection()] |
|---|
| 726 | if type not in ['I(Q)','S(Q)','F(Q)','G(R)']: |
|---|
| 727 | return |
|---|
| 728 | superMinusOne = unichr(0xaf)+unichr(0xb9) |
|---|
| 729 | |
|---|
| 730 | def OnPlotKeyPress(event): |
|---|
| 731 | newPlot = False |
|---|
| 732 | if event.key == 'u': |
|---|
| 733 | if self.Contour: |
|---|
| 734 | self.Cmax = min(1.0,self.Cmax*1.2) |
|---|
| 735 | elif self.Offset[0] < 100.: |
|---|
| 736 | self.Offset[0] += 1. |
|---|
| 737 | elif event.key == 'd': |
|---|
| 738 | if self.Contour: |
|---|
| 739 | self.Cmax = max(0.0,self.Cmax*0.8) |
|---|
| 740 | elif self.Offset[0] > 0.: |
|---|
| 741 | self.Offset[0] -= 1. |
|---|
| 742 | elif event.key == 'l': |
|---|
| 743 | self.Offset[1] -= 1. |
|---|
| 744 | elif event.key == 'r': |
|---|
| 745 | self.Offset[1] += 1. |
|---|
| 746 | elif event.key == 'o': |
|---|
| 747 | self.Offset = [0,0] |
|---|
| 748 | elif event.key == 'c': |
|---|
| 749 | newPlot = True |
|---|
| 750 | if self.Contour: |
|---|
| 751 | self.Contour = False |
|---|
| 752 | else: |
|---|
| 753 | self.Contour = True |
|---|
| 754 | self.SinglePlot = False |
|---|
| 755 | self.Offset = [0.,0.] |
|---|
| 756 | elif event.key == 's': |
|---|
| 757 | if self.Contour: |
|---|
| 758 | choice = [m for m in mpl.cm.datad.keys() if not m.endswith("_r")] |
|---|
| 759 | choice.sort() |
|---|
| 760 | dlg = wx.SingleChoiceDialog(self,'Select','Color scheme',choice) |
|---|
| 761 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 762 | sel = dlg.GetSelection() |
|---|
| 763 | self.ContourColor = choice[sel] |
|---|
| 764 | else: |
|---|
| 765 | self.ContourColor = 'Paired' |
|---|
| 766 | dlg.Destroy() |
|---|
| 767 | else: |
|---|
| 768 | if self.SinglePlot: |
|---|
| 769 | self.SinglePlot = False |
|---|
| 770 | else: |
|---|
| 771 | self.SinglePlot = True |
|---|
| 772 | elif event.key == 'i': #for smoothing contour plot |
|---|
| 773 | choice = ['nearest','bilinear','bicubic','spline16','spline36','hanning', |
|---|
| 774 | 'hamming','hermite','kaiser','quadric','catrom','gaussian','bessel', |
|---|
| 775 | 'mitchell','sinc','lanczos'] |
|---|
| 776 | dlg = wx.SingleChoiceDialog(self,'Select','Interpolation',choice) |
|---|
| 777 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 778 | sel = dlg.GetSelection() |
|---|
| 779 | self.Interpolate = choice[sel] |
|---|
| 780 | else: |
|---|
| 781 | self.Interpolate = 'nearest' |
|---|
| 782 | dlg.Destroy() |
|---|
| 783 | elif event.key == 't' and not self.Contour: |
|---|
| 784 | if self.Legend: |
|---|
| 785 | self.Legend = False |
|---|
| 786 | else: |
|---|
| 787 | self.Legend = True |
|---|
| 788 | |
|---|
| 789 | |
|---|
| 790 | PlotISFG(self,newPlot=newPlot,type=type) |
|---|
| 791 | |
|---|
| 792 | def OnKeyBox(event): |
|---|
| 793 | if self.G2plotNB.nb.GetSelection() == self.G2plotNB.plotList.index(type): |
|---|
| 794 | event.key = cb.GetValue()[0] |
|---|
| 795 | cb.SetValue(' key press') |
|---|
| 796 | OnPlotKeyPress(event) |
|---|
| 797 | |
|---|
| 798 | def OnMotion(event): |
|---|
| 799 | xpos = event.xdata |
|---|
| 800 | if xpos: #avoid out of frame mouse position |
|---|
| 801 | ypos = event.ydata |
|---|
| 802 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 803 | try: |
|---|
| 804 | if self.Contour: |
|---|
| 805 | self.G2plotNB.status.SetStatusText('R =%.3fA pattern ID =%5d'%(xpos,int(ypos)),1) |
|---|
| 806 | else: |
|---|
| 807 | self.G2plotNB.status.SetStatusText('R =%.3fA %s =%.2f'%(xpos,type,ypos),1) |
|---|
| 808 | except TypeError: |
|---|
| 809 | self.G2plotNB.status.SetStatusText('Select '+type+' pattern first',1) |
|---|
| 810 | |
|---|
| 811 | xylim = [] |
|---|
| 812 | try: |
|---|
| 813 | plotNum = self.G2plotNB.plotList.index(type) |
|---|
| 814 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 815 | if not newPlot: |
|---|
| 816 | Plot = Page.figure.gca() #get previous plot & get limits |
|---|
| 817 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 818 | Page.figure.clf() |
|---|
| 819 | Plot = Page.figure.gca() |
|---|
| 820 | except ValueError: |
|---|
| 821 | newPlot = True |
|---|
| 822 | self.Cmax = 1.0 |
|---|
| 823 | Plot = self.G2plotNB.addMpl(type).gca() |
|---|
| 824 | plotNum = self.G2plotNB.plotList.index(type) |
|---|
| 825 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 826 | Page.canvas.mpl_connect('key_press_event', OnPlotKeyPress) |
|---|
| 827 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 828 | |
|---|
| 829 | Page.SetFocus() |
|---|
| 830 | self.G2plotNB.status.DestroyChildren() |
|---|
| 831 | if self.Contour: |
|---|
| 832 | Choice = (' key press','d: lower contour max','u: raise contour max', |
|---|
| 833 | 'i: interpolation method','s: color scheme','c: contour off') |
|---|
| 834 | else: |
|---|
| 835 | Choice = (' key press','l: offset left','r: offset right','d: offset down','u: offset up', |
|---|
| 836 | 'o: reset offset','t: toggle legend','c: contour on','s: toggle single plot') |
|---|
| 837 | cb = wx.ComboBox(self.G2plotNB.status,style=wx.CB_DROPDOWN|wx.CB_READONLY, |
|---|
| 838 | choices=Choice) |
|---|
| 839 | cb.Bind(wx.EVT_COMBOBOX, OnKeyBox) |
|---|
| 840 | cb.SetValue(' key press') |
|---|
| 841 | PatternId = self.PatternId |
|---|
| 842 | PickId = self.PickId |
|---|
| 843 | Plot.set_title(type) |
|---|
| 844 | if type == 'G(R)': |
|---|
| 845 | Plot.set_xlabel(r'$R,\AA$',fontsize=14) |
|---|
| 846 | else: |
|---|
| 847 | Plot.set_xlabel(r'$Q,\AA$'+superMinusOne,fontsize=14) |
|---|
| 848 | Plot.set_ylabel(r''+type,fontsize=14) |
|---|
| 849 | colors=['b','g','r','c','m','k'] |
|---|
| 850 | name = self.PatternTree.GetItemText(PatternId)[4:] |
|---|
| 851 | Pattern = [] |
|---|
| 852 | if self.SinglePlot: |
|---|
| 853 | name = self.PatternTree.GetItemText(PatternId) |
|---|
| 854 | name = type+name[4:] |
|---|
| 855 | Id = G2gd.GetPatternTreeItemId(self,PatternId,name) |
|---|
| 856 | Pattern = self.PatternTree.GetItemPyData(Id) |
|---|
| 857 | if Pattern: |
|---|
| 858 | Pattern.append(name) |
|---|
| 859 | PlotList = [Pattern,] |
|---|
| 860 | else: |
|---|
| 861 | PlotList = [] |
|---|
| 862 | item, cookie = self.PatternTree.GetFirstChild(self.root) |
|---|
| 863 | while item: |
|---|
| 864 | if 'PDF' in self.PatternTree.GetItemText(item): |
|---|
| 865 | name = type+self.PatternTree.GetItemText(item)[4:] |
|---|
| 866 | Id = G2gd.GetPatternTreeItemId(self,item,name) |
|---|
| 867 | Pattern = self.PatternTree.GetItemPyData(Id) |
|---|
| 868 | if Pattern: |
|---|
| 869 | Pattern.append(name) |
|---|
| 870 | PlotList.append(Pattern) |
|---|
| 871 | item, cookie = self.PatternTree.GetNextChild(self.root, cookie) |
|---|
| 872 | PDFdata = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId, 'PDF Controls')) |
|---|
| 873 | numbDen = G2pwd.GetNumDensity(PDFdata['ElList'],PDFdata['Form Vol']) |
|---|
| 874 | Xb = [0.,10.] |
|---|
| 875 | Yb = [0.,-40.*np.pi*numbDen] |
|---|
| 876 | Ymax = 1.0 |
|---|
| 877 | lenX = 0 |
|---|
| 878 | for Pattern in PlotList: |
|---|
| 879 | xye = Pattern[1] |
|---|
| 880 | Ymax = max(Ymax,max(xye[1])) |
|---|
| 881 | offset = self.Offset[0]*Ymax/100.0 |
|---|
| 882 | if self.Contour: |
|---|
| 883 | ContourZ = [] |
|---|
| 884 | ContourY = [] |
|---|
| 885 | Nseq = 0 |
|---|
| 886 | for N,Pattern in enumerate(PlotList): |
|---|
| 887 | xye = Pattern[1] |
|---|
| 888 | if PickId: |
|---|
| 889 | ifpicked = Pattern[2] == self.PatternTree.GetItemText(PatternId) |
|---|
| 890 | X = xye[0] |
|---|
| 891 | if not lenX: |
|---|
| 892 | lenX = len(X) |
|---|
| 893 | Y = xye[1]+offset*N |
|---|
| 894 | if self.Contour: |
|---|
| 895 | if lenX == len(X): |
|---|
| 896 | ContourY.append(N) |
|---|
| 897 | ContourZ.append(Y) |
|---|
| 898 | ContourX = X |
|---|
| 899 | Nseq += 1 |
|---|
| 900 | Plot.set_ylabel('Data sequence',fontsize=12) |
|---|
| 901 | else: |
|---|
| 902 | X = xye[0]+self.Offset[1]*.005*N |
|---|
| 903 | if ifpicked: |
|---|
| 904 | Plot.plot(X,Y,colors[N%6]+'+',picker=3.,clip_on=False) |
|---|
| 905 | Page.canvas.SetToolTipString('') |
|---|
| 906 | else: |
|---|
| 907 | if self.Legend: |
|---|
| 908 | Plot.plot(X,Y,colors[N%6],picker=False,label='Azm:'+Pattern[2].split('=')[1]) |
|---|
| 909 | else: |
|---|
| 910 | Plot.plot(X,Y,colors[N%6],picker=False) |
|---|
| 911 | if type == 'G(R)': |
|---|
| 912 | Plot.plot(Xb,Yb,color='k',dashes=(5,5)) |
|---|
| 913 | elif type == 'F(Q)': |
|---|
| 914 | Plot.axhline(0.,color=wx.BLACK) |
|---|
| 915 | elif type == 'S(Q)': |
|---|
| 916 | Plot.axhline(1.,color=wx.BLACK) |
|---|
| 917 | if self.Contour: |
|---|
| 918 | acolor = mpl.cm.get_cmap(self.ContourColor) |
|---|
| 919 | Img = Plot.imshow(ContourZ,cmap=acolor,vmin=0,vmax=Ymax*self.Cmax,interpolation=self.Interpolate, |
|---|
| 920 | extent=[ContourX[0],ContourX[-1],ContourY[0],ContourY[-1]],aspect='auto',origin='lower') |
|---|
| 921 | Page.figure.colorbar(Img) |
|---|
| 922 | elif self.Legend: |
|---|
| 923 | Plot.legend(loc='best') |
|---|
| 924 | if not newPlot: |
|---|
| 925 | Page.toolbar.push_current() |
|---|
| 926 | Plot.set_xlim(xylim[0]) |
|---|
| 927 | Plot.set_ylim(xylim[1]) |
|---|
| 928 | xylim = [] |
|---|
| 929 | Page.toolbar.push_current() |
|---|
| 930 | Page.toolbar.draw() |
|---|
| 931 | else: |
|---|
| 932 | Page.canvas.draw() |
|---|
| 933 | |
|---|
| 934 | def PlotXY(self,XY,newPlot=False,type=''): |
|---|
| 935 | '''simple plot of xy data, used for diagnostic purposes |
|---|
| 936 | ''' |
|---|
| 937 | def OnMotion(event): |
|---|
| 938 | xpos = event.xdata |
|---|
| 939 | if xpos: #avoid out of frame mouse position |
|---|
| 940 | ypos = event.ydata |
|---|
| 941 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 942 | try: |
|---|
| 943 | self.G2plotNB.status.SetStatusText('X =%9.3f %s =%9.3f'%(xpos,type,ypos),1) |
|---|
| 944 | except TypeError: |
|---|
| 945 | self.G2plotNB.status.SetStatusText('Select '+type+' pattern first',1) |
|---|
| 946 | |
|---|
| 947 | try: |
|---|
| 948 | plotNum = self.G2plotNB.plotList.index(type) |
|---|
| 949 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 950 | if not newPlot: |
|---|
| 951 | Plot = Page.figure.gca() |
|---|
| 952 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 953 | Page.figure.clf() |
|---|
| 954 | Plot = Page.figure.gca() |
|---|
| 955 | except ValueError: |
|---|
| 956 | newPlot = True |
|---|
| 957 | Plot = self.G2plotNB.addMpl(type).gca() |
|---|
| 958 | plotNum = self.G2plotNB.plotList.index(type) |
|---|
| 959 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 960 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 961 | |
|---|
| 962 | Page.SetFocus() |
|---|
| 963 | self.G2plotNB.status.DestroyChildren() |
|---|
| 964 | Plot.set_title(type) |
|---|
| 965 | Plot.set_xlabel(r'X',fontsize=14) |
|---|
| 966 | Plot.set_ylabel(r''+type,fontsize=14) |
|---|
| 967 | colors=['b','g','r','c','m','k'] |
|---|
| 968 | Ymax = 1.0 |
|---|
| 969 | lenX = 0 |
|---|
| 970 | X,Y = XY[:2] |
|---|
| 971 | Ymax = max(Ymax,max(Y)) |
|---|
| 972 | Plot.plot(X,Y,'k',picker=False) |
|---|
| 973 | if not newPlot: |
|---|
| 974 | Page.toolbar.push_current() |
|---|
| 975 | Plot.set_xlim(xylim[0]) |
|---|
| 976 | Plot.set_ylim(xylim[1]) |
|---|
| 977 | xylim = [] |
|---|
| 978 | Page.toolbar.push_current() |
|---|
| 979 | Page.toolbar.draw() |
|---|
| 980 | else: |
|---|
| 981 | Page.canvas.draw() |
|---|
| 982 | |
|---|
| 983 | def PlotPowderLines(self): |
|---|
| 984 | ''' plotting of powder lines (i.e. no powder pattern) as sticks |
|---|
| 985 | ''' |
|---|
| 986 | global HKL |
|---|
| 987 | |
|---|
| 988 | def OnMotion(event): |
|---|
| 989 | xpos = event.xdata |
|---|
| 990 | if xpos: #avoid out of frame mouse position |
|---|
| 991 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 992 | self.G2plotNB.status.SetFields(['','2-theta =%9.3f '%(xpos,)]) |
|---|
| 993 | if self.PickId and self.PatternTree.GetItemText(self.PickId) in ['Index Peak List','Unit Cells List']: |
|---|
| 994 | found = [] |
|---|
| 995 | if len(HKL): |
|---|
| 996 | view = Page.toolbar._views.forward()[0][:2] |
|---|
| 997 | wid = view[1]-view[0] |
|---|
| 998 | found = HKL[np.where(np.fabs(HKL.T[5]-xpos) < 0.002*wid)] |
|---|
| 999 | if len(found): |
|---|
| 1000 | h,k,l = found[0][:3] |
|---|
| 1001 | Page.canvas.SetToolTipString('%d,%d,%d'%(int(h),int(k),int(l))) |
|---|
| 1002 | else: |
|---|
| 1003 | Page.canvas.SetToolTipString('') |
|---|
| 1004 | |
|---|
| 1005 | try: |
|---|
| 1006 | plotNum = self.G2plotNB.plotList.index('Powder Lines') |
|---|
| 1007 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1008 | Page.figure.clf() |
|---|
| 1009 | Plot = Page.figure.gca() |
|---|
| 1010 | except ValueError: |
|---|
| 1011 | Plot = self.G2plotNB.addMpl('Powder Lines').gca() |
|---|
| 1012 | plotNum = self.G2plotNB.plotList.index('Powder Lines') |
|---|
| 1013 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1014 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 1015 | |
|---|
| 1016 | Page.SetFocus() |
|---|
| 1017 | Plot.set_title('Powder Pattern Lines') |
|---|
| 1018 | Plot.set_xlabel(r'$\mathsf{2\theta}$',fontsize=14) |
|---|
| 1019 | PickId = self.PickId |
|---|
| 1020 | PatternId = self.PatternId |
|---|
| 1021 | peaks = self.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(self,PatternId, 'Index Peak List')) |
|---|
| 1022 | for peak in peaks: |
|---|
| 1023 | Plot.axvline(peak[0],color='b') |
|---|
| 1024 | HKL = np.array(self.HKL) |
|---|
| 1025 | for hkl in self.HKL: |
|---|
| 1026 | Plot.axvline(hkl[5],color='r',dashes=(5,5)) |
|---|
| 1027 | xmin = peaks[0][0] |
|---|
| 1028 | xmax = peaks[-1][0] |
|---|
| 1029 | delt = xmax-xmin |
|---|
| 1030 | xlim = [max(0,xmin-delt/20.),min(180.,xmax+delt/20.)] |
|---|
| 1031 | Plot.set_xlim(xlim) |
|---|
| 1032 | Page.canvas.draw() |
|---|
| 1033 | Page.toolbar.push_current() |
|---|
| 1034 | |
|---|
| 1035 | def PlotPeakWidths(self): |
|---|
| 1036 | ''' Plotting of instrument broadening terms as function of 2-theta (future TOF) |
|---|
| 1037 | Seen when "Instrument Parameters" chosen from powder pattern data tree |
|---|
| 1038 | ''' |
|---|
| 1039 | PatternId = self.PatternId |
|---|
| 1040 | limitID = G2gd.GetPatternTreeItemId(self,PatternId, 'Limits') |
|---|
| 1041 | if limitID: |
|---|
| 1042 | limits = self.PatternTree.GetItemPyData(limitID) |
|---|
| 1043 | else: |
|---|
| 1044 | return |
|---|
| 1045 | instParms = self.PatternTree.GetItemPyData( \ |
|---|
| 1046 | G2gd.GetPatternTreeItemId(self,PatternId, 'Instrument Parameters')) |
|---|
| 1047 | if instParms[0][0] in ['PXC','PNC']: |
|---|
| 1048 | lam = instParms[1][1] |
|---|
| 1049 | if len(instParms[1]) == 13: |
|---|
| 1050 | GU,GV,GW,LX,LY = instParms[0][6:11] |
|---|
| 1051 | else: |
|---|
| 1052 | GU,GV,GW,LX,LY = instParms[0][4:9] |
|---|
| 1053 | peakID = G2gd.GetPatternTreeItemId(self,PatternId, 'Peak List') |
|---|
| 1054 | if peakID: |
|---|
| 1055 | peaks = self.PatternTree.GetItemPyData(peakID) |
|---|
| 1056 | else: |
|---|
| 1057 | peaks = [] |
|---|
| 1058 | |
|---|
| 1059 | try: |
|---|
| 1060 | plotNum = self.G2plotNB.plotList.index('Peak Widths') |
|---|
| 1061 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1062 | Page.figure.clf() |
|---|
| 1063 | Plot = Page.figure.gca() |
|---|
| 1064 | except ValueError: |
|---|
| 1065 | Plot = self.G2plotNB.addMpl('Peak Widths').gca() |
|---|
| 1066 | plotNum = self.G2plotNB.plotList.index('Peak Widths') |
|---|
| 1067 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1068 | Page.SetFocus() |
|---|
| 1069 | |
|---|
| 1070 | Page.canvas.SetToolTipString('') |
|---|
| 1071 | colors=['b','g','r','c','m','k'] |
|---|
| 1072 | Xmin,Xmax = limits[1] |
|---|
| 1073 | Xmin = min(0.5,max(Xmin,1)) |
|---|
| 1074 | Xmin /= 2 |
|---|
| 1075 | Xmax /= 2 |
|---|
| 1076 | nPts = 100 |
|---|
| 1077 | delt = (Xmax-Xmin)/nPts |
|---|
| 1078 | thetas = [] |
|---|
| 1079 | for i in range(nPts): |
|---|
| 1080 | thetas.append(Xmin+i*delt) |
|---|
| 1081 | X = [] |
|---|
| 1082 | Y = [] |
|---|
| 1083 | Z = [] |
|---|
| 1084 | W = [] |
|---|
| 1085 | # V = [] |
|---|
| 1086 | sig = lambda Th,U,V,W: 1.17741*math.sqrt(U*tand(Th)**2+V*tand(Th)+W)*math.pi/18000. |
|---|
| 1087 | gam = lambda Th,X,Y: (X/cosd(Th)+Y*tand(Th))*math.pi/18000. |
|---|
| 1088 | gamFW = lambda s,g: math.exp(math.log(s**5+2.69269*s**4*g+2.42843*s**3*g**2+4.47163*s**2*g**3+0.07842*s*g**4+g**5)/5.) |
|---|
| 1089 | # gamFW2 = lambda s,g: math.sqrt(s**2+(0.4654996*g)**2)+.5345004*g #Ubaldo Bafile - private communication |
|---|
| 1090 | for theta in thetas: |
|---|
| 1091 | X.append(4.0*math.pi*sind(theta)/lam) #q |
|---|
| 1092 | s = sig(theta,GU,GV,GW) |
|---|
| 1093 | g = gam(theta,LX,LY) |
|---|
| 1094 | G = gamFW(g,s) |
|---|
| 1095 | # H = gamFW2(g,s) |
|---|
| 1096 | Y.append(s/tand(theta)) |
|---|
| 1097 | Z.append(g/tand(theta)) |
|---|
| 1098 | W.append(G/tand(theta)) |
|---|
| 1099 | # V.append(H/tand(theta)) |
|---|
| 1100 | Plot.set_title('Instrument and sample peak widths') |
|---|
| 1101 | Plot.set_ylabel(r'$\Delta q/q, \Delta d/d$',fontsize=14) |
|---|
| 1102 | Plot.set_xlabel(r'$q, \AA^{-1}$',fontsize=14) |
|---|
| 1103 | Plot.plot(X,Y,color='r',label='Gaussian') |
|---|
| 1104 | Plot.plot(X,Z,color='g',label='Lorentzian') |
|---|
| 1105 | Plot.plot(X,W,color='b',label='G+L') |
|---|
| 1106 | # Plot.plot(X,V,color='k',label='G+L2') |
|---|
| 1107 | X = [] |
|---|
| 1108 | Y = [] |
|---|
| 1109 | Z = [] |
|---|
| 1110 | W = [] |
|---|
| 1111 | V = [] |
|---|
| 1112 | for peak in peaks: |
|---|
| 1113 | X.append(4.0*math.pi*sind(peak[0]/2.0)/lam) |
|---|
| 1114 | try: |
|---|
| 1115 | s = 1.17741*math.sqrt(peak[4])*math.pi/18000. |
|---|
| 1116 | except ValueError: |
|---|
| 1117 | s = 0.01 |
|---|
| 1118 | g = peak[6]*math.pi/18000. |
|---|
| 1119 | G = gamFW(g,s) |
|---|
| 1120 | # H = gamFW2(g,s) |
|---|
| 1121 | Y.append(s/tand(peak[0]/2.)) |
|---|
| 1122 | Z.append(g/tand(peak[0]/2.)) |
|---|
| 1123 | W.append(G/tand(peak[0]/2.)) |
|---|
| 1124 | # V.append(H/tand(peak[0]/2.)) |
|---|
| 1125 | Plot.plot(X,Y,'+',color='r',label='G peak') |
|---|
| 1126 | Plot.plot(X,Z,'+',color='g',label='L peak') |
|---|
| 1127 | Plot.plot(X,W,'+',color='b',label='G+L peak') |
|---|
| 1128 | # Plot.plot(X,V,'+',color='k',label='G+L2 peak') |
|---|
| 1129 | Plot.legend(loc='best') |
|---|
| 1130 | Page.canvas.draw() |
|---|
| 1131 | |
|---|
| 1132 | def PlotStrain(self,data): |
|---|
| 1133 | '''Plot 3D microstrain figure. In this instance data is for a phase |
|---|
| 1134 | ''' |
|---|
| 1135 | PatternId = self.PatternId |
|---|
| 1136 | generalData = data['General'] |
|---|
| 1137 | SGData = generalData['SGData'] |
|---|
| 1138 | MuStrKeys = G2spc.MustrainNames(SGData) |
|---|
| 1139 | cell = generalData['Cell'][1:] |
|---|
| 1140 | A,B = G2lat.cell2AB(cell[:6]) |
|---|
| 1141 | Vol = cell[6] |
|---|
| 1142 | useList = data['Histograms'] |
|---|
| 1143 | for item in useList: |
|---|
| 1144 | if useList[item]['Show']: |
|---|
| 1145 | break |
|---|
| 1146 | else: |
|---|
| 1147 | self.G2plotNB.Delete('Microstrain') |
|---|
| 1148 | return #nothing to show!! |
|---|
| 1149 | |
|---|
| 1150 | numPlots = len(useList) |
|---|
| 1151 | |
|---|
| 1152 | try: |
|---|
| 1153 | plotNum = self.G2plotNB.plotList.index('Microstrain') |
|---|
| 1154 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1155 | Page.figure.clf() |
|---|
| 1156 | Plot = mp3d.Axes3D(Page.figure) |
|---|
| 1157 | if not Page.IsShown(): |
|---|
| 1158 | Page.Show() |
|---|
| 1159 | except ValueError: |
|---|
| 1160 | Plot = mp3d.Axes3D(self.G2plotNB.add3D('Microstrain')) |
|---|
| 1161 | plotNum = self.G2plotNB.plotList.index('Microstrain') |
|---|
| 1162 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1163 | Page.SetFocus() |
|---|
| 1164 | self.G2plotNB.status.SetStatusText('Adjust frame size to get desired aspect ratio',1) |
|---|
| 1165 | |
|---|
| 1166 | for item in useList: |
|---|
| 1167 | if useList[item]['Show']: |
|---|
| 1168 | muStrain = useList[item]['Mustrain'] |
|---|
| 1169 | PHI = np.linspace(0.,360.,30,True) |
|---|
| 1170 | PSI = np.linspace(0.,180.,30,True) |
|---|
| 1171 | X = np.outer(npsind(PHI),npsind(PSI)) |
|---|
| 1172 | Y = np.outer(npcosd(PHI),npsind(PSI)) |
|---|
| 1173 | Z = np.outer(np.ones(np.size(PHI)),npcosd(PSI)) |
|---|
| 1174 | if muStrain[0] == 'isotropic': |
|---|
| 1175 | muiso = muStrain[1][0]*math.pi/0.018 #centidegrees to radians! |
|---|
| 1176 | X *= muiso |
|---|
| 1177 | Y *= muiso |
|---|
| 1178 | Z *= muiso |
|---|
| 1179 | |
|---|
| 1180 | elif muStrain[0] == 'uniaxial': |
|---|
| 1181 | def uniaxMustrain(xyz,muiso,muaniso,axes): |
|---|
| 1182 | Z = np.array(axes) |
|---|
| 1183 | cp = abs(np.dot(xyz,Z)) |
|---|
| 1184 | sp = np.sqrt(1.-cp**2) |
|---|
| 1185 | R = muiso*muaniso/np.sqrt((muiso*cp)**2+(muaniso*sp)**2) |
|---|
| 1186 | # S = muiso+muaniso*cp #old GSAS - wrong math!! |
|---|
| 1187 | return R*xyz*math.pi/0.018 #centidegrees to radians! |
|---|
| 1188 | muiso,muaniso = muStrain[1][:2] |
|---|
| 1189 | axes = np.inner(A,np.array(muStrain[3])) |
|---|
| 1190 | axes /= nl.norm(axes) |
|---|
| 1191 | Shkl = np.array(muStrain[1]) |
|---|
| 1192 | Shape = X.shape[0] |
|---|
| 1193 | XYZ = np.dstack((X,Y,Z)) |
|---|
| 1194 | XYZ = np.nan_to_num(np.apply_along_axis(uniaxMustrain,2,XYZ,muiso,muaniso,axes)) |
|---|
| 1195 | X,Y,Z = np.dsplit(XYZ,3) |
|---|
| 1196 | X = X[:,:,0] |
|---|
| 1197 | Y = Y[:,:,0] |
|---|
| 1198 | Z = Z[:,:,0] |
|---|
| 1199 | |
|---|
| 1200 | elif muStrain[0] == 'generalized': |
|---|
| 1201 | def genMustrain(xyz,SGData,A,Shkl): |
|---|
| 1202 | uvw = np.inner(A.T,xyz) |
|---|
| 1203 | Strm = np.array(G2spc.MustrainCoeff(uvw,SGData)) |
|---|
| 1204 | sum = np.sum(np.multiply(Shkl,Strm)) |
|---|
| 1205 | sum = np.where(sum > 0.01,sum,0.01) |
|---|
| 1206 | sum = np.sqrt(sum)*math.pi/0.018 #centidegrees to radians! |
|---|
| 1207 | return sum*xyz |
|---|
| 1208 | Shkl = np.array(muStrain[4]) |
|---|
| 1209 | if np.any(Shkl): |
|---|
| 1210 | Shape = X.shape[0] |
|---|
| 1211 | XYZ = np.dstack((X,Y,Z)) |
|---|
| 1212 | XYZ = np.nan_to_num(np.apply_along_axis(genMustrain,2,XYZ,SGData,A,Shkl)) |
|---|
| 1213 | X,Y,Z = np.dsplit(XYZ,3) |
|---|
| 1214 | X = X[:,:,0] |
|---|
| 1215 | Y = Y[:,:,0] |
|---|
| 1216 | Z = Z[:,:,0] |
|---|
| 1217 | |
|---|
| 1218 | if np.any(X) and np.any(Y) and np.any(Z): |
|---|
| 1219 | Plot.plot_surface(X,Y,Z,rstride=1,cstride=1,color='g',linewidth=1) |
|---|
| 1220 | |
|---|
| 1221 | Plot.set_xlabel('X') |
|---|
| 1222 | Plot.set_ylabel('Y') |
|---|
| 1223 | Plot.set_zlabel('Z') |
|---|
| 1224 | Page.canvas.draw() |
|---|
| 1225 | |
|---|
| 1226 | def PlotTexture(self,data,newPlot=False,Start=False): |
|---|
| 1227 | '''Pole figure, inverse pole figure(?), 3D pole distribution and 3D inverse pole distribution(?) |
|---|
| 1228 | plotting; Need way to select |
|---|
| 1229 | pole figure or pole distribution to be displayed - do in key enter menu |
|---|
| 1230 | dict generalData contains all phase info needed which is in data |
|---|
| 1231 | ''' |
|---|
| 1232 | |
|---|
| 1233 | shModels = ['cylindrical','none','shear - 2/m','rolling - mmm'] |
|---|
| 1234 | SamSym = dict(zip(shModels,['0','-1','2/m','mmm'])) |
|---|
| 1235 | PatternId = self.PatternId |
|---|
| 1236 | generalData = data['General'] |
|---|
| 1237 | SGData = generalData['SGData'] |
|---|
| 1238 | textureData = generalData['SH Texture'] |
|---|
| 1239 | if not textureData['Order']: |
|---|
| 1240 | self.G2plotNB.Delete('Texture') |
|---|
| 1241 | return #no plot!! |
|---|
| 1242 | SHData = generalData['SH Texture'] |
|---|
| 1243 | SHCoef = SHData['SH Coeff'][1] |
|---|
| 1244 | cell = generalData['Cell'][1:7] |
|---|
| 1245 | Amat,Bmat = G2lat.cell2AB(cell) |
|---|
| 1246 | sq2 = 1.0/math.sqrt(2.0) |
|---|
| 1247 | |
|---|
| 1248 | def rp2xyz(r,p): |
|---|
| 1249 | z = npcosd(r) |
|---|
| 1250 | xy = np.sqrt(1.-z**2) |
|---|
| 1251 | return xy*npsind(p),xy*npcosd(p),z |
|---|
| 1252 | |
|---|
| 1253 | def OnMotion(event): |
|---|
| 1254 | SHData = data['General']['SH Texture'] |
|---|
| 1255 | if event.xdata and event.ydata: #avoid out of frame errors |
|---|
| 1256 | xpos = event.xdata |
|---|
| 1257 | ypos = event.ydata |
|---|
| 1258 | if 'Inverse' in SHData['PlotType']: |
|---|
| 1259 | r = xpos**2+ypos**2 |
|---|
| 1260 | if r <= 1.0: |
|---|
| 1261 | if 'equal' in self.Projection: |
|---|
| 1262 | r,p = 2.*npasind(np.sqrt(r)*sq2),npatan2d(ypos,xpos) |
|---|
| 1263 | else: |
|---|
| 1264 | r,p = 2.*npatand(np.sqrt(r)),npatan2d(ypos,xpos) |
|---|
| 1265 | ipf = G2lat.invpolfcal(IODFln,SGData,np.array([r,]),np.array([p,])) |
|---|
| 1266 | xyz = np.inner(Amat.T,np.array([rp2xyz(r,p)])) |
|---|
| 1267 | y,x,z = list(xyz/np.max(np.abs(xyz))) |
|---|
| 1268 | |
|---|
| 1269 | self.G2plotNB.status.SetFields(['', |
|---|
| 1270 | 'psi =%9.3f, beta =%9.3f, MRD =%9.3f xyz=%5.2f,%5.2f,%5.2f'%(r,p,ipf,x,y,z)]) |
|---|
| 1271 | |
|---|
| 1272 | elif 'Axial' in SHData['PlotType']: |
|---|
| 1273 | pass |
|---|
| 1274 | |
|---|
| 1275 | else: #ordinary pole figure |
|---|
| 1276 | z = xpos**2+ypos**2 |
|---|
| 1277 | if z <= 1.0: |
|---|
| 1278 | z = np.sqrt(z) |
|---|
| 1279 | if 'equal' in self.Projection: |
|---|
| 1280 | r,p = 2.*npasind(z*sq2),npatan2d(ypos,xpos) |
|---|
| 1281 | else: |
|---|
| 1282 | r,p = 2.*npatand(z),npatan2d(ypos,xpos) |
|---|
| 1283 | pf = G2lat.polfcal(ODFln,SamSym[textureData['Model']],np.array([r,]),np.array([p,])) |
|---|
| 1284 | self.G2plotNB.status.SetFields(['','phi =%9.3f, gam =%9.3f, MRD =%9.3f'%(r,p,pf)]) |
|---|
| 1285 | |
|---|
| 1286 | try: |
|---|
| 1287 | plotNum = self.G2plotNB.plotList.index('Texture') |
|---|
| 1288 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1289 | Page.figure.clf() |
|---|
| 1290 | Plot = Page.figure.gca() |
|---|
| 1291 | if not Page.IsShown(): |
|---|
| 1292 | Page.Show() |
|---|
| 1293 | except ValueError: |
|---|
| 1294 | Plot = self.G2plotNB.addMpl('Texture').gca() |
|---|
| 1295 | plotNum = self.G2plotNB.plotList.index('Texture') |
|---|
| 1296 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1297 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 1298 | |
|---|
| 1299 | Page.SetFocus() |
|---|
| 1300 | self.G2plotNB.status.SetFields(['','']) |
|---|
| 1301 | PH = np.array(SHData['PFhkl']) |
|---|
| 1302 | phi,beta = G2lat.CrsAng(PH,cell,SGData) |
|---|
| 1303 | ODFln = G2lat.Flnh(Start,SHCoef,phi,beta,SGData) |
|---|
| 1304 | PX = np.array(SHData['PFxyz']) |
|---|
| 1305 | gam = atan2d(PX[0],PX[1]) |
|---|
| 1306 | xy = math.sqrt(PX[0]**2+PX[1]**2) |
|---|
| 1307 | xyz = math.sqrt(PX[0]**2+PX[1]**2+PX[2]**2) |
|---|
| 1308 | psi = asind(xy/xyz) |
|---|
| 1309 | IODFln = G2lat.Glnh(Start,SHCoef,psi,gam,SamSym[textureData['Model']]) |
|---|
| 1310 | if 'Axial' in SHData['PlotType']: |
|---|
| 1311 | X = np.linspace(0,90.0,26) |
|---|
| 1312 | Y = G2lat.polfcal(ODFln,SamSym[textureData['Model']],X,0.0) |
|---|
| 1313 | Plot.plot(X,Y,color='k',label=str(SHData['PFhkl'])) |
|---|
| 1314 | Plot.legend(loc='best') |
|---|
| 1315 | Plot.set_title('Axial distribution for HKL='+str(SHData['PFhkl'])) |
|---|
| 1316 | Plot.set_xlabel(r'$\psi$',fontsize=16) |
|---|
| 1317 | Plot.set_ylabel('MRD',fontsize=14) |
|---|
| 1318 | |
|---|
| 1319 | else: |
|---|
| 1320 | npts = 201 |
|---|
| 1321 | if 'Inverse' in SHData['PlotType']: |
|---|
| 1322 | X,Y = np.meshgrid(np.linspace(1.,-1.,npts),np.linspace(-1.,1.,npts)) |
|---|
| 1323 | R,P = np.sqrt(X**2+Y**2).flatten(),npatan2d(X,Y).flatten() |
|---|
| 1324 | if 'equal' in self.Projection: |
|---|
| 1325 | R = np.where(R <= 1.,2.*npasind(R*sq2),0.0) |
|---|
| 1326 | else: |
|---|
| 1327 | R = np.where(R <= 1.,2.*npatand(R),0.0) |
|---|
| 1328 | Z = np.zeros_like(R) |
|---|
| 1329 | Z = G2lat.invpolfcal(IODFln,SGData,R,P) |
|---|
| 1330 | Z = np.reshape(Z,(npts,npts)) |
|---|
| 1331 | CS = Plot.contour(Y,X,Z,aspect='equal') |
|---|
| 1332 | Plot.clabel(CS,fontsize=9,inline=1) |
|---|
| 1333 | try: |
|---|
| 1334 | Img = Plot.imshow(Z.T,aspect='equal',cmap=self.ContourColor,extent=[-1,1,-1,1]) |
|---|
| 1335 | except ValueError: |
|---|
| 1336 | pass |
|---|
| 1337 | if newPlot: |
|---|
| 1338 | # Page.figure.colorbar(Img) #colorbar fails - crashes gsasii |
|---|
| 1339 | newPlot = False |
|---|
| 1340 | Plot.set_title('Inverse pole figure for XYZ='+str(SHData['PFxyz'])) |
|---|
| 1341 | Plot.set_xlabel(self.Projection.capitalize()+' projection') |
|---|
| 1342 | |
|---|
| 1343 | else: |
|---|
| 1344 | X,Y = np.meshgrid(np.linspace(1.,-1.,npts),np.linspace(-1.,1.,npts)) |
|---|
| 1345 | R,P = np.sqrt(X**2+Y**2).flatten(),npatan2d(X,Y).flatten() |
|---|
| 1346 | if 'equal' in self.Projection: |
|---|
| 1347 | R = np.where(R <= 1.,2.*npasind(R*sq2),0.0) |
|---|
| 1348 | else: |
|---|
| 1349 | R = np.where(R <= 1.,2.*npatand(R),0.0) |
|---|
| 1350 | Z = np.zeros_like(R) |
|---|
| 1351 | Z = G2lat.polfcal(ODFln,SamSym[textureData['Model']],R,P) |
|---|
| 1352 | Z = np.reshape(Z,(npts,npts)) |
|---|
| 1353 | try: |
|---|
| 1354 | CS = Plot.contour(Y,X,Z,aspect='equal') |
|---|
| 1355 | Plot.clabel(CS,fontsize=9,inline=1) |
|---|
| 1356 | except ValueError: |
|---|
| 1357 | pass |
|---|
| 1358 | Img = Plot.imshow(Z.T,aspect='equal',cmap=self.ContourColor,extent=[-1,1,-1,1]) |
|---|
| 1359 | if newPlot: |
|---|
| 1360 | # Page.figure.colorbar(Img) #colorbar fails - crashes gsasii |
|---|
| 1361 | newPlot = False |
|---|
| 1362 | Plot.set_title('Pole figure for HKL='+str(SHData['PFhkl'])) |
|---|
| 1363 | Plot.set_xlabel(self.Projection.capitalize()+' projection') |
|---|
| 1364 | Page.canvas.draw() |
|---|
| 1365 | |
|---|
| 1366 | def PlotCovariance(self): |
|---|
| 1367 | Data = self.PatternTree.GetItemPyData( |
|---|
| 1368 | G2gd.GetPatternTreeItemId(self,self.root, 'Covariance')) |
|---|
| 1369 | if not Data: |
|---|
| 1370 | print 'No covariance matrix available' |
|---|
| 1371 | return |
|---|
| 1372 | varyList = Data['varyList'] |
|---|
| 1373 | Xmax = len(varyList) |
|---|
| 1374 | covMatrix = Data['covMatrix'] |
|---|
| 1375 | sig = np.sqrt(np.diag(covMatrix)) |
|---|
| 1376 | xvar = np.outer(sig,np.ones_like(sig)) |
|---|
| 1377 | covArray = np.divide(np.divide(covMatrix,xvar),xvar.T) |
|---|
| 1378 | |
|---|
| 1379 | def OnPlotKeyPress(event): |
|---|
| 1380 | newPlot = False |
|---|
| 1381 | if event.key == 's': |
|---|
| 1382 | choice = [m for m in mpl.cm.datad.keys() if not m.endswith("_r")] |
|---|
| 1383 | choice.sort() |
|---|
| 1384 | dlg = wx.SingleChoiceDialog(self,'Select','Color scheme',choice) |
|---|
| 1385 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 1386 | sel = dlg.GetSelection() |
|---|
| 1387 | self.ContourColor = choice[sel] |
|---|
| 1388 | else: |
|---|
| 1389 | self.ContourColor = 'Spectral' |
|---|
| 1390 | dlg.Destroy() |
|---|
| 1391 | PlotCovariance(self) |
|---|
| 1392 | |
|---|
| 1393 | def OnMotion(event): |
|---|
| 1394 | if event.button: |
|---|
| 1395 | ytics = imgAx.get_yticks() |
|---|
| 1396 | ytics = np.where(ytics<len(varyList),ytics,-1) |
|---|
| 1397 | ylabs = [np.where(0<=i ,varyList[int(i)],' ') for i in ytics] |
|---|
| 1398 | # ylabs = [varyList[int(i)] for i in ytics[:-1]] |
|---|
| 1399 | imgAx.set_yticklabels(ylabs) |
|---|
| 1400 | |
|---|
| 1401 | if event.xdata and event.ydata: #avoid out of frame errors |
|---|
| 1402 | xpos = int(event.xdata+.5) |
|---|
| 1403 | ypos = int(event.ydata+.5) |
|---|
| 1404 | if -1 < xpos < len(varyList) and -1 < ypos < len(varyList): |
|---|
| 1405 | msg = '%s - %s: %5.3f'%(varyList[xpos],varyList[ypos],covArray[xpos][ypos]) |
|---|
| 1406 | Page.canvas.SetToolTipString(msg) |
|---|
| 1407 | self.G2plotNB.status.SetFields(['Key: s to change colors',msg]) |
|---|
| 1408 | try: |
|---|
| 1409 | plotNum = self.G2plotNB.plotList.index('Covariance') |
|---|
| 1410 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1411 | Page.figure.clf() |
|---|
| 1412 | Plot = Page.figure.gca() |
|---|
| 1413 | if not Page.IsShown(): |
|---|
| 1414 | Page.Show() |
|---|
| 1415 | except ValueError: |
|---|
| 1416 | Plot = self.G2plotNB.addMpl('Covariance').gca() |
|---|
| 1417 | plotNum = self.G2plotNB.plotList.index('Covariance') |
|---|
| 1418 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1419 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 1420 | Page.canvas.mpl_connect('key_press_event', OnPlotKeyPress) |
|---|
| 1421 | |
|---|
| 1422 | Page.SetFocus() |
|---|
| 1423 | self.G2plotNB.status.SetFields(['','']) |
|---|
| 1424 | acolor = mpl.cm.get_cmap(self.ContourColor) |
|---|
| 1425 | Img = Plot.imshow(covArray,aspect='equal',cmap=acolor,interpolation='nearest',origin='lower') |
|---|
| 1426 | imgAx = Img.get_axes() |
|---|
| 1427 | ytics = imgAx.get_yticks() |
|---|
| 1428 | ylabs = [varyList[int(i)] for i in ytics[:-1]] |
|---|
| 1429 | imgAx.set_yticklabels(ylabs) |
|---|
| 1430 | colorBar = Page.figure.colorbar(Img) |
|---|
| 1431 | Plot.set_title('Variance-Covariance matrix from LS refinement') |
|---|
| 1432 | Plot.set_xlabel('Variable number') |
|---|
| 1433 | Plot.set_ylabel('Variable name') |
|---|
| 1434 | Page.canvas.draw() |
|---|
| 1435 | |
|---|
| 1436 | |
|---|
| 1437 | def PlotExposedImage(self,newPlot=False,event=None): |
|---|
| 1438 | '''General access module for 2D image plotting |
|---|
| 1439 | ''' |
|---|
| 1440 | plotNo = self.G2plotNB.nb.GetSelection() |
|---|
| 1441 | if self.G2plotNB.nb.GetPageText(plotNo) == '2D Powder Image': |
|---|
| 1442 | PlotImage(self,newPlot,event,newImage=True) |
|---|
| 1443 | elif self.G2plotNB.nb.GetPageText(plotNo) == '2D Integration': |
|---|
| 1444 | PlotIntegration(self,newPlot,event) |
|---|
| 1445 | |
|---|
| 1446 | def PlotImage(self,newPlot=False,event=None,newImage=True): |
|---|
| 1447 | '''Plot of 2D detector images as contoured plot. Also plot calibration ellipses, |
|---|
| 1448 | masks, etc. |
|---|
| 1449 | ''' |
|---|
| 1450 | from matplotlib.patches import Ellipse,Arc,Circle,Polygon |
|---|
| 1451 | import numpy.ma as ma |
|---|
| 1452 | Dsp = lambda tth,wave: wave/(2.*sind(tth/2.)) |
|---|
| 1453 | global Data,Masks |
|---|
| 1454 | colors=['b','g','r','c','m','k'] |
|---|
| 1455 | Data = self.PatternTree.GetItemPyData( |
|---|
| 1456 | G2gd.GetPatternTreeItemId(self,self.Image, 'Image Controls')) |
|---|
| 1457 | Masks = self.PatternTree.GetItemPyData( |
|---|
| 1458 | G2gd.GetPatternTreeItemId(self,self.Image, 'Masks')) |
|---|
| 1459 | |
|---|
| 1460 | def OnImMotion(event): |
|---|
| 1461 | Page.canvas.SetToolTipString('') |
|---|
| 1462 | sizexy = Data['size'] |
|---|
| 1463 | if event.xdata and event.ydata: #avoid out of frame errors |
|---|
| 1464 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 1465 | item = self.itemPicked |
|---|
| 1466 | pixelSize = Data['pixelSize'] |
|---|
| 1467 | scalex = 1000./pixelSize[0] |
|---|
| 1468 | scaley = 1000./pixelSize[1] |
|---|
| 1469 | if item and self.PatternTree.GetItemText(self.PickId) == 'Image Controls': |
|---|
| 1470 | if 'Text' in str(item): |
|---|
| 1471 | Page.canvas.SetToolTipString('%8.3f %8.3fmm'%(event.xdata,event.ydata)) |
|---|
| 1472 | else: |
|---|
| 1473 | xcent,ycent = Data['center'] |
|---|
| 1474 | xpos = event.xdata-xcent |
|---|
| 1475 | ypos = event.ydata-ycent |
|---|
| 1476 | tth,azm = G2img.GetTthAzm(event.xdata,event.ydata,Data) |
|---|
| 1477 | if 'line3' in str(item) or 'line4' in str(item) and not Data['fullIntegrate']: |
|---|
| 1478 | Page.canvas.SetToolTipString('%6d deg'%(azm)) |
|---|
| 1479 | elif 'line1' in str(item) or 'line2' in str(item): |
|---|
| 1480 | Page.canvas.SetToolTipString('%8.3fdeg'%(tth)) |
|---|
| 1481 | else: |
|---|
| 1482 | xpos = event.xdata |
|---|
| 1483 | ypos = event.ydata |
|---|
| 1484 | xpix = xpos*scalex |
|---|
| 1485 | ypix = ypos*scaley |
|---|
| 1486 | Int = 0 |
|---|
| 1487 | if (0 <= xpix <= sizexy[0]) and (0 <= ypix <= sizexy[1]): |
|---|
| 1488 | Int = self.ImageZ[ypix][xpix] |
|---|
| 1489 | tth,azm,dsp = G2img.GetTthAzmDsp(xpos,ypos,Data) |
|---|
| 1490 | Q = 2.*math.pi/dsp |
|---|
| 1491 | if self.setPoly: |
|---|
| 1492 | self.G2plotNB.status.SetFields(['','Polygon mask pick - LB next point, RB close polygon']) |
|---|
| 1493 | else: |
|---|
| 1494 | self.G2plotNB.status.SetFields(\ |
|---|
| 1495 | ['','Detector 2-th =%9.3fdeg, dsp =%9.3fA, Q = %6.5fA-1, azm = %7.2fdeg, I = %6d'%(tth,dsp,Q,azm,Int)]) |
|---|
| 1496 | |
|---|
| 1497 | def OnImPlotKeyPress(event): |
|---|
| 1498 | try: |
|---|
| 1499 | PickName = self.PatternTree.GetItemText(self.PickId) |
|---|
| 1500 | except TypeError: |
|---|
| 1501 | return |
|---|
| 1502 | if PickName == 'Masks': |
|---|
| 1503 | Xpos = event.xdata |
|---|
| 1504 | if not Xpos: #got point out of frame |
|---|
| 1505 | return |
|---|
| 1506 | Ypos = event.ydata |
|---|
| 1507 | if event.key == 's': |
|---|
| 1508 | Masks['Points'].append([Xpos,Ypos,1.]) |
|---|
| 1509 | elif event.key == 'r': |
|---|
| 1510 | tth = G2img.GetTth(Xpos,Ypos,Data) |
|---|
| 1511 | Masks['Rings'].append([tth,0.1]) |
|---|
| 1512 | elif event.key == 'a': |
|---|
| 1513 | tth,azm = G2img.GetTthAzm(Xpos,Ypos,Data) |
|---|
| 1514 | azm = int(azm) |
|---|
| 1515 | Masks['Arcs'].append([tth,[azm-5,azm+5],0.1]) |
|---|
| 1516 | elif event.key == 'p': |
|---|
| 1517 | self.setPoly = True |
|---|
| 1518 | Masks['Polygons'].append([]) |
|---|
| 1519 | self.G2plotNB.status.SetFields(['','Polygon mask active - LB pick next point, RB close polygon']) |
|---|
| 1520 | G2imG.UpdateMasks(self,Masks) |
|---|
| 1521 | elif PickName == 'Image Controls': |
|---|
| 1522 | if event.key == 'c': |
|---|
| 1523 | Xpos = event.xdata |
|---|
| 1524 | if not Xpos: #got point out of frame |
|---|
| 1525 | return |
|---|
| 1526 | Ypos = event.ydata |
|---|
| 1527 | dlg = wx.MessageDialog(self,'Are you sure you want to change the center?', |
|---|
| 1528 | 'Center change',style=wx.OK|wx.CANCEL) |
|---|
| 1529 | try: |
|---|
| 1530 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 1531 | print 'move center to: ',Xpos,Ypos |
|---|
| 1532 | Data['center'] = [Xpos,Ypos] |
|---|
| 1533 | G2imG.UpdateImageControls(self,Data,Masks) |
|---|
| 1534 | finally: |
|---|
| 1535 | dlg.Destroy() |
|---|
| 1536 | elif event.key == 'l': |
|---|
| 1537 | if self.logPlot: |
|---|
| 1538 | self.logPlot = False |
|---|
| 1539 | else: |
|---|
| 1540 | self.logPlot = True |
|---|
| 1541 | PlotImage(self,newImage=True) |
|---|
| 1542 | |
|---|
| 1543 | def OnKeyBox(event): |
|---|
| 1544 | if self.G2plotNB.nb.GetSelection() == self.G2plotNB.plotList.index('2D Powder Image'): |
|---|
| 1545 | event.key = cb.GetValue()[0] |
|---|
| 1546 | cb.SetValue(' key press') |
|---|
| 1547 | if event.key in 'l': |
|---|
| 1548 | OnImPlotKeyPress(event) |
|---|
| 1549 | |
|---|
| 1550 | def OnImPick(event): |
|---|
| 1551 | if self.PatternTree.GetItemText(self.PickId) not in ['Image Controls','Masks']: |
|---|
| 1552 | return |
|---|
| 1553 | if self.setPoly: |
|---|
| 1554 | polygon = Masks['Polygons'][-1] |
|---|
| 1555 | xpos,ypos = event.mouseevent.xdata,event.mouseevent.ydata |
|---|
| 1556 | if xpos and ypos: #point inside image |
|---|
| 1557 | if len(polygon) > 2 and event.mouseevent.button == 3: |
|---|
| 1558 | x0,y0 = polygon[0] |
|---|
| 1559 | polygon.append([x0,y0]) |
|---|
| 1560 | self.setPoly = False |
|---|
| 1561 | self.G2plotNB.status.SetFields(['','Polygon closed - RB drag a vertex to change shape']) |
|---|
| 1562 | else: |
|---|
| 1563 | self.G2plotNB.status.SetFields(['','New polygon point: %.1f,%.1f'%(xpos,ypos)]) |
|---|
| 1564 | polygon.append([xpos,ypos]) |
|---|
| 1565 | G2imG.UpdateMasks(self,Masks) |
|---|
| 1566 | else: |
|---|
| 1567 | if self.itemPicked is not None: return |
|---|
| 1568 | self.itemPicked = event.artist |
|---|
| 1569 | self.mousePicked = event.mouseevent |
|---|
| 1570 | |
|---|
| 1571 | def OnImRelease(event): |
|---|
| 1572 | try: |
|---|
| 1573 | PickName = self.PatternTree.GetItemText(self.PickId) |
|---|
| 1574 | except TypeError: |
|---|
| 1575 | return |
|---|
| 1576 | if PickName not in ['Image Controls','Masks']: |
|---|
| 1577 | return |
|---|
| 1578 | pixelSize = Data['pixelSize'] |
|---|
| 1579 | scalex = 1000./pixelSize[0] |
|---|
| 1580 | scaley = 1000./pixelSize[1] |
|---|
| 1581 | pixLimit = Data['pixLimit'] |
|---|
| 1582 | if self.itemPicked is None and PickName == 'Image Controls': |
|---|
| 1583 | # sizexy = Data['size'] |
|---|
| 1584 | Xpos = event.xdata |
|---|
| 1585 | if not (Xpos and self.ifGetRing): #got point out of frame |
|---|
| 1586 | return |
|---|
| 1587 | Ypos = event.ydata |
|---|
| 1588 | if Ypos and not Page.toolbar._active: #make sure zoom/pan not selected |
|---|
| 1589 | if event.button == 1: |
|---|
| 1590 | Xpix = Xpos*scalex |
|---|
| 1591 | Ypix = Ypos*scaley |
|---|
| 1592 | xpos,ypos,I,J = G2img.ImageLocalMax(self.ImageZ,pixLimit,Xpix,Ypix) |
|---|
| 1593 | if I and J: |
|---|
| 1594 | xpos += .5 #shift to pixel center |
|---|
| 1595 | ypos += .5 |
|---|
| 1596 | xpos /= scalex #convert to mm |
|---|
| 1597 | ypos /= scaley |
|---|
| 1598 | Data['ring'].append([xpos,ypos]) |
|---|
| 1599 | elif event.button == 3: |
|---|
| 1600 | self.dataFrame.GetStatusBar().SetStatusText('Calibrating...') |
|---|
| 1601 | if G2img.ImageCalibrate(self,Data): |
|---|
| 1602 | self.dataFrame.GetStatusBar().SetStatusText('Calibration successful - Show ring picks to check') |
|---|
| 1603 | print 'Calibration successful' |
|---|
| 1604 | else: |
|---|
| 1605 | self.dataFrame.GetStatusBar().SetStatusText('Calibration failed - Show ring picks to diagnose') |
|---|
| 1606 | print 'Calibration failed' |
|---|
| 1607 | self.ifGetRing = False |
|---|
| 1608 | G2imG.UpdateImageControls(self,Data,Masks) |
|---|
| 1609 | return |
|---|
| 1610 | PlotImage(self,newImage=False) |
|---|
| 1611 | return |
|---|
| 1612 | else: |
|---|
| 1613 | xpos = event.xdata |
|---|
| 1614 | if xpos: #avoid out of frame mouse position |
|---|
| 1615 | ypos = event.ydata |
|---|
| 1616 | if self.ifGetRing: #delete a calibration ring pick |
|---|
| 1617 | xypos = [xpos,ypos] |
|---|
| 1618 | rings = Data['ring'] |
|---|
| 1619 | for ring in rings: |
|---|
| 1620 | if np.allclose(ring,xypos,.01,0): |
|---|
| 1621 | rings.remove(ring) |
|---|
| 1622 | else: |
|---|
| 1623 | tth,azm,dsp = G2img.GetTthAzmDsp(xpos,ypos,Data) |
|---|
| 1624 | itemPicked = str(self.itemPicked) |
|---|
| 1625 | if 'Line2D' in itemPicked and PickName == 'Image Controls': |
|---|
| 1626 | if 'line1' in itemPicked: |
|---|
| 1627 | Data['IOtth'][0] = max(tth,0.001) |
|---|
| 1628 | elif 'line2' in itemPicked: |
|---|
| 1629 | Data['IOtth'][1] = tth |
|---|
| 1630 | elif 'line3' in itemPicked: |
|---|
| 1631 | Data['LRazimuth'][0] = int(azm) |
|---|
| 1632 | if Data['fullIntegrate']: |
|---|
| 1633 | Data['LRazimuth'][1] = Data['LRazimuth'][0]+360 |
|---|
| 1634 | elif 'line4' in itemPicked and not Data['fullIntegrate']: |
|---|
| 1635 | Data['LRazimuth'][1] = int(azm) |
|---|
| 1636 | |
|---|
| 1637 | if Data['LRazimuth'][0] > Data['LRazimuth'][1]: |
|---|
| 1638 | Data['LRazimuth'][0] -= 360 |
|---|
| 1639 | |
|---|
| 1640 | azLim = np.array(Data['LRazimuth']) |
|---|
| 1641 | if np.any(azLim>360): |
|---|
| 1642 | azLim -= 360 |
|---|
| 1643 | Data['LRazimuth'] = list(azLim) |
|---|
| 1644 | |
|---|
| 1645 | if Data['IOtth'][0] > Data['IOtth'][1]: |
|---|
| 1646 | Data['IOtth'][0],Data['IOtth'][1] = Data['IOtth'][1],Data['IOtth'][0] |
|---|
| 1647 | |
|---|
| 1648 | self.InnerTth.SetValue("%8.2f" % (Data['IOtth'][0])) |
|---|
| 1649 | self.OuterTth.SetValue("%8.2f" % (Data['IOtth'][1])) |
|---|
| 1650 | self.Lazim.SetValue("%6d" % (Data['LRazimuth'][0])) |
|---|
| 1651 | self.Razim.SetValue("%6d" % (Data['LRazimuth'][1])) |
|---|
| 1652 | elif 'Circle' in itemPicked and PickName == 'Masks': |
|---|
| 1653 | spots = Masks['Points'] |
|---|
| 1654 | newPos = itemPicked.split(')')[0].split('(')[2].split(',') |
|---|
| 1655 | newPos = np.array([float(newPos[0]),float(newPos[1])]) |
|---|
| 1656 | for spot in spots: |
|---|
| 1657 | if np.allclose(np.array([spot[:2]]),newPos): |
|---|
| 1658 | spot[:2] = xpos,ypos |
|---|
| 1659 | G2imG.UpdateMasks(self,Masks) |
|---|
| 1660 | elif 'Line2D' in itemPicked and PickName == 'Masks': |
|---|
| 1661 | Obj = self.itemPicked.findobj() |
|---|
| 1662 | rings = Masks['Rings'] |
|---|
| 1663 | arcs = Masks['Arcs'] |
|---|
| 1664 | polygons = Masks['Polygons'] |
|---|
| 1665 | for ring in self.ringList: |
|---|
| 1666 | if Obj == ring[0]: |
|---|
| 1667 | rN = ring[1] |
|---|
| 1668 | if ring[2] == 'o': |
|---|
| 1669 | rings[rN][0] = G2img.GetTth(xpos,ypos,Data)-rings[rN][1]/2. |
|---|
| 1670 | else: |
|---|
| 1671 | rings[rN][0] = G2img.GetTth(xpos,ypos,Data)+rings[rN][1]/2. |
|---|
| 1672 | for arc in self.arcList: |
|---|
| 1673 | if Obj == arc[0]: |
|---|
| 1674 | aN = arc[1] |
|---|
| 1675 | if arc[2] == 'o': |
|---|
| 1676 | arcs[aN][0] = G2img.GetTth(xpos,ypos,Data)-arcs[aN][2]/2 |
|---|
| 1677 | elif arc[2] == 'i': |
|---|
| 1678 | arcs[aN][0] = G2img.GetTth(xpos,ypos,Data)+arcs[aN][2]/2 |
|---|
| 1679 | elif arc[2] == 'l': |
|---|
| 1680 | arcs[aN][1][0] = int(G2img.GetAzm(xpos,ypos,Data)) |
|---|
| 1681 | else: |
|---|
| 1682 | arcs[aN][1][1] = int(G2img.GetAzm(xpos,ypos,Data)) |
|---|
| 1683 | for poly in self.polyList: |
|---|
| 1684 | if Obj == poly[0]: |
|---|
| 1685 | ind = self.itemPicked.contains(self.mousePicked)[1]['ind'][0] |
|---|
| 1686 | oldPos = np.array([self.mousePicked.xdata,self.mousePicked.ydata]) |
|---|
| 1687 | pN = poly[1] |
|---|
| 1688 | for i,xy in enumerate(polygons[pN]): |
|---|
| 1689 | if np.allclose(np.array([xy]),oldPos,atol=1.0): |
|---|
| 1690 | polygons[pN][i] = xpos,ypos |
|---|
| 1691 | G2imG.UpdateMasks(self,Masks) |
|---|
| 1692 | # else: #keep for future debugging |
|---|
| 1693 | # print str(self.itemPicked),event.xdata,event.ydata,event.button |
|---|
| 1694 | PlotImage(self,newImage=True) |
|---|
| 1695 | self.itemPicked = None |
|---|
| 1696 | |
|---|
| 1697 | try: |
|---|
| 1698 | plotNum = self.G2plotNB.plotList.index('2D Powder Image') |
|---|
| 1699 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1700 | if not newPlot: |
|---|
| 1701 | Plot = Page.figure.gca() #get previous powder plot & get limits |
|---|
| 1702 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 1703 | if newImage: |
|---|
| 1704 | Page.figure.clf() |
|---|
| 1705 | Plot = Page.figure.gca() #get a fresh plot after clf() |
|---|
| 1706 | |
|---|
| 1707 | except ValueError: |
|---|
| 1708 | Plot = self.G2plotNB.addMpl('2D Powder Image').gca() |
|---|
| 1709 | plotNum = self.G2plotNB.plotList.index('2D Powder Image') |
|---|
| 1710 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1711 | Page.canvas.mpl_connect('key_press_event', OnImPlotKeyPress) |
|---|
| 1712 | Page.canvas.mpl_connect('motion_notify_event', OnImMotion) |
|---|
| 1713 | Page.canvas.mpl_connect('pick_event', OnImPick) |
|---|
| 1714 | Page.canvas.mpl_connect('button_release_event', OnImRelease) |
|---|
| 1715 | xylim = [] |
|---|
| 1716 | if not event: #event from GUI TextCtrl - don't want focus to change to plot!!! |
|---|
| 1717 | Page.SetFocus() |
|---|
| 1718 | Title = self.PatternTree.GetItemText(self.Image)[4:] |
|---|
| 1719 | self.G2plotNB.status.DestroyChildren() |
|---|
| 1720 | if self.logPlot: |
|---|
| 1721 | Title = 'log('+Title+')' |
|---|
| 1722 | Plot.set_title(Title) |
|---|
| 1723 | try: |
|---|
| 1724 | if self.PatternTree.GetItemText(self.PickId) in ['Image Controls',]: |
|---|
| 1725 | Choice = (' key press','l: log(I) on',) |
|---|
| 1726 | if self.logPlot: |
|---|
| 1727 | Choice[1] = 'l: log(I) off' |
|---|
| 1728 | cb = wx.ComboBox(self.G2plotNB.status,style=wx.CB_DROPDOWN|wx.CB_READONLY, |
|---|
| 1729 | choices=Choice) |
|---|
| 1730 | cb.Bind(wx.EVT_COMBOBOX, OnKeyBox) |
|---|
| 1731 | cb.SetValue(' key press') |
|---|
| 1732 | except TypeError: |
|---|
| 1733 | pass |
|---|
| 1734 | size,imagefile = self.PatternTree.GetItemPyData(self.Image) |
|---|
| 1735 | if imagefile != self.oldImagefile: |
|---|
| 1736 | imagefile = G2IO.CheckImageFile(self,imagefile) |
|---|
| 1737 | if not imagefile: |
|---|
| 1738 | self.G2plotNB.Delete('2D Powder Image') |
|---|
| 1739 | return |
|---|
| 1740 | self.PatternTree.SetItemPyData(self.Image,[size,imagefile]) |
|---|
| 1741 | self.ImageZ = G2IO.GetImageData(self,imagefile,imageOnly=True) |
|---|
| 1742 | # print self.ImageZ.shape,self.ImageZ.size,Data['size'] #might be useful debugging line |
|---|
| 1743 | self.oldImagefile = imagefile |
|---|
| 1744 | |
|---|
| 1745 | imScale = 1 |
|---|
| 1746 | if len(self.ImageZ) > 1024: |
|---|
| 1747 | imScale = len(self.ImageZ)/1024 |
|---|
| 1748 | sizexy = Data['size'] |
|---|
| 1749 | pixelSize = Data['pixelSize'] |
|---|
| 1750 | scalex = 1000./pixelSize[0] |
|---|
| 1751 | scaley = 1000./pixelSize[1] |
|---|
| 1752 | Xmax = sizexy[0]*pixelSize[0]/1000. |
|---|
| 1753 | Ymax = sizexy[1]*pixelSize[1]/1000. |
|---|
| 1754 | xlim = (0,Xmax) |
|---|
| 1755 | ylim = (Ymax,0) |
|---|
| 1756 | Imin,Imax = Data['range'][1] |
|---|
| 1757 | acolor = mpl.cm.get_cmap(Data['color']) |
|---|
| 1758 | xcent,ycent = Data['center'] |
|---|
| 1759 | Plot.set_xlabel('Image x-axis, mm',fontsize=12) |
|---|
| 1760 | Plot.set_ylabel('Image y-axis, mm',fontsize=12) |
|---|
| 1761 | #do threshold mask - "real" mask - others are just bondaries |
|---|
| 1762 | Zlim = Masks['Thresholds'][1] |
|---|
| 1763 | wx.BeginBusyCursor() |
|---|
| 1764 | try: |
|---|
| 1765 | |
|---|
| 1766 | if newImage: |
|---|
| 1767 | MA = ma.masked_greater(ma.masked_less(self.ImageZ,Zlim[0]),Zlim[1]) |
|---|
| 1768 | MaskA = ma.getmaskarray(MA) |
|---|
| 1769 | A = G2img.ImageCompress(MA,imScale) |
|---|
| 1770 | AM = G2img.ImageCompress(MaskA,imScale) |
|---|
| 1771 | if self.logPlot: |
|---|
| 1772 | A = np.where(A>0,np.log(A),0) |
|---|
| 1773 | AM = np.where(AM>0,np.log(AM),0) |
|---|
| 1774 | Imin,Imax = [np.amin(A),np.amax(A)] |
|---|
| 1775 | ImgM = Plot.imshow(AM,aspect='equal',cmap='Reds', |
|---|
| 1776 | interpolation='nearest',vmin=0,vmax=2,extent=[0,Xmax,Xmax,0]) |
|---|
| 1777 | Img = Plot.imshow(A,aspect='equal',cmap=acolor, |
|---|
| 1778 | interpolation='nearest',vmin=Imin,vmax=Imax,extent=[0,Xmax,Ymax,0]) |
|---|
| 1779 | if self.setPoly: |
|---|
| 1780 | Img.set_picker(True) |
|---|
| 1781 | |
|---|
| 1782 | Plot.plot(xcent,ycent,'x') |
|---|
| 1783 | if Data['showLines']: |
|---|
| 1784 | LRAzim = Data['LRazimuth'] #NB: integers |
|---|
| 1785 | Nazm = Data['outAzimuths'] |
|---|
| 1786 | delAzm = float(LRAzim[1]-LRAzim[0])/Nazm |
|---|
| 1787 | AzmthOff = Data['azmthOff'] |
|---|
| 1788 | IOtth = Data['IOtth'] |
|---|
| 1789 | wave = Data['wavelength'] |
|---|
| 1790 | dspI = wave/(2.0*sind(IOtth[0]/2.0)) |
|---|
| 1791 | ellI = G2img.GetEllipse(dspI,Data) #=False if dsp didn't yield an ellipse (ugh! a parabola or a hyperbola) |
|---|
| 1792 | dspO = wave/(2.0*sind(IOtth[1]/2.0)) |
|---|
| 1793 | ellO = G2img.GetEllipse(dspO,Data) #Ditto & more likely for outer ellipse |
|---|
| 1794 | Azm = np.array(range(LRAzim[0],LRAzim[1]+1))-AzmthOff |
|---|
| 1795 | if ellI: |
|---|
| 1796 | xyI = [] |
|---|
| 1797 | for azm in Azm: |
|---|
| 1798 | xyI.append(G2img.GetDetectorXY(dspI,azm-90.,Data)) |
|---|
| 1799 | xyI = np.array(xyI) |
|---|
| 1800 | arcxI,arcyI = xyI.T |
|---|
| 1801 | Plot.plot(arcxI,arcyI,picker=3) |
|---|
| 1802 | if ellO: |
|---|
| 1803 | xyO = [] |
|---|
| 1804 | for azm in Azm: |
|---|
| 1805 | xyO.append(G2img.GetDetectorXY(dspO,azm-90.,Data)) |
|---|
| 1806 | xyO = np.array(xyO) |
|---|
| 1807 | arcxO,arcyO = xyO.T |
|---|
| 1808 | Plot.plot(arcxO,arcyO,picker=3) |
|---|
| 1809 | if ellO and ellI: |
|---|
| 1810 | Plot.plot([arcxI[0],arcxO[0]],[arcyI[0],arcyO[0]],picker=3) |
|---|
| 1811 | Plot.plot([arcxI[-1],arcxO[-1]],[arcyI[-1],arcyO[-1]],picker=3) |
|---|
| 1812 | for i in range(Nazm): |
|---|
| 1813 | cake = LRAzim[0]+i*delAzm |
|---|
| 1814 | ind = np.searchsorted(Azm,cake) |
|---|
| 1815 | Plot.plot([arcxI[ind],arcxO[ind]],[arcyI[ind],arcyO[ind]],color='k',dashes=(5,5)) |
|---|
| 1816 | |
|---|
| 1817 | for xring,yring in Data['ring']: |
|---|
| 1818 | Plot.plot(xring,yring,'r+',picker=3) |
|---|
| 1819 | if Data['setRings']: |
|---|
| 1820 | # rings = np.concatenate((Data['rings']),axis=0) |
|---|
| 1821 | N = 0 |
|---|
| 1822 | for ring in Data['rings']: |
|---|
| 1823 | xring,yring = np.array(ring).T[:2] |
|---|
| 1824 | Plot.plot(xring,yring,'+',color=colors[N%6]) |
|---|
| 1825 | N += 1 |
|---|
| 1826 | for ellipse in Data['ellipses']: |
|---|
| 1827 | cent,phi,[width,height],col = ellipse |
|---|
| 1828 | Plot.add_artist(Ellipse([cent[0],cent[1]],2*width,2*height,phi,ec=col,fc='none')) |
|---|
| 1829 | Plot.text(cent[0],cent[1],'+',color=col,ha='center',va='center') |
|---|
| 1830 | #masks - mask lines numbered after integration limit lines |
|---|
| 1831 | spots = Masks['Points'] |
|---|
| 1832 | rings = Masks['Rings'] |
|---|
| 1833 | arcs = Masks['Arcs'] |
|---|
| 1834 | polygons = Masks['Polygons'] |
|---|
| 1835 | for x,y,d in spots: |
|---|
| 1836 | Plot.add_artist(Circle((x,y),radius=d/2,fc='none',ec='r',picker=3)) |
|---|
| 1837 | self.ringList = [] |
|---|
| 1838 | for iring,(tth,thick) in enumerate(rings): |
|---|
| 1839 | wave = Data['wavelength'] |
|---|
| 1840 | x1,y1 = np.hsplit(np.array(G2img.makeIdealRing(G2img.GetEllipse(Dsp(tth+thick/2.,wave),Data))),2) |
|---|
| 1841 | x2,y2 = np.hsplit(np.array(G2img.makeIdealRing(G2img.GetEllipse(Dsp(tth-thick/2.,wave),Data))),2) |
|---|
| 1842 | self.ringList.append([Plot.plot(x1,y1,'r',picker=3),iring,'o']) |
|---|
| 1843 | self.ringList.append([Plot.plot(x2,y2,'r',picker=3),iring,'i']) |
|---|
| 1844 | self.arcList = [] |
|---|
| 1845 | for iarc,(tth,azm,thick) in enumerate(arcs): |
|---|
| 1846 | wave = Data['wavelength'] |
|---|
| 1847 | x1,y1 = np.hsplit(np.array(G2img.makeIdealRing(G2img.GetEllipse(Dsp(tth+thick/2.,wave),Data),azm)),2) |
|---|
| 1848 | x2,y2 = np.hsplit(np.array(G2img.makeIdealRing(G2img.GetEllipse(Dsp(max(0.01,tth-thick/2.),wave),Data),azm)),2) |
|---|
| 1849 | self.arcList.append([Plot.plot(x1,y1,'r',picker=3),iarc,'o']) |
|---|
| 1850 | self.arcList.append([Plot.plot(x2,y2,'r',picker=3),iarc,'i']) |
|---|
| 1851 | self.arcList.append([Plot.plot([x1[0],x2[0]],[y1[0],y2[0]],'r',picker=3),iarc,'l']) |
|---|
| 1852 | self.arcList.append([Plot.plot([x1[-1],x2[-1]],[y1[-1],y2[-1]],'r',picker=3),iarc,'u']) |
|---|
| 1853 | self.polyList = [] |
|---|
| 1854 | for ipoly,polygon in enumerate(polygons): |
|---|
| 1855 | x,y = np.hsplit(np.array(polygon),2) |
|---|
| 1856 | self.polyList.append([Plot.plot(x,y,'r+',picker=10),ipoly]) |
|---|
| 1857 | Plot.plot(x,y,'r') |
|---|
| 1858 | if newImage: |
|---|
| 1859 | colorBar = Page.figure.colorbar(Img) |
|---|
| 1860 | Plot.set_xlim(xlim) |
|---|
| 1861 | Plot.set_ylim(ylim) |
|---|
| 1862 | if not newPlot and xylim: |
|---|
| 1863 | Page.toolbar.push_current() |
|---|
| 1864 | Plot.set_xlim(xylim[0]) |
|---|
| 1865 | Plot.set_ylim(xylim[1]) |
|---|
| 1866 | xylim = [] |
|---|
| 1867 | Page.toolbar.push_current() |
|---|
| 1868 | Page.toolbar.draw() |
|---|
| 1869 | else: |
|---|
| 1870 | Page.canvas.draw() |
|---|
| 1871 | finally: |
|---|
| 1872 | wx.EndBusyCursor() |
|---|
| 1873 | |
|---|
| 1874 | def PlotIntegration(self,newPlot=False,event=None): |
|---|
| 1875 | '''Plot of 2D image after image integration with 2-theta and azimuth as coordinates |
|---|
| 1876 | ''' |
|---|
| 1877 | |
|---|
| 1878 | def OnMotion(event): |
|---|
| 1879 | Page.canvas.SetToolTipString('') |
|---|
| 1880 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 1881 | azm = event.ydata |
|---|
| 1882 | tth = event.xdata |
|---|
| 1883 | if azm and tth: |
|---|
| 1884 | self.G2plotNB.status.SetFields(\ |
|---|
| 1885 | ['','Detector 2-th =%9.3fdeg, azm = %7.2fdeg'%(tth,azm)]) |
|---|
| 1886 | |
|---|
| 1887 | try: |
|---|
| 1888 | plotNum = self.G2plotNB.plotList.index('2D Integration') |
|---|
| 1889 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1890 | if not newPlot: |
|---|
| 1891 | Plot = Page.figure.gca() #get previous plot & get limits |
|---|
| 1892 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 1893 | Page.figure.clf() |
|---|
| 1894 | Plot = Page.figure.gca() #get a fresh plot after clf() |
|---|
| 1895 | |
|---|
| 1896 | except ValueError: |
|---|
| 1897 | Plot = self.G2plotNB.addMpl('2D Integration').gca() |
|---|
| 1898 | plotNum = self.G2plotNB.plotList.index('2D Integration') |
|---|
| 1899 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1900 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 1901 | Page.views = False |
|---|
| 1902 | view = False |
|---|
| 1903 | if not event: |
|---|
| 1904 | Page.SetFocus() |
|---|
| 1905 | |
|---|
| 1906 | Data = self.PatternTree.GetItemPyData( |
|---|
| 1907 | G2gd.GetPatternTreeItemId(self,self.Image, 'Image Controls')) |
|---|
| 1908 | image = self.Integrate[0] |
|---|
| 1909 | xsc = self.Integrate[1] |
|---|
| 1910 | ysc = self.Integrate[2] |
|---|
| 1911 | Imin,Imax = Data['range'][1] |
|---|
| 1912 | acolor = mpl.cm.get_cmap(Data['color']) |
|---|
| 1913 | Plot.set_title(self.PatternTree.GetItemText(self.Image)[4:]) |
|---|
| 1914 | Plot.set_ylabel('azimuth',fontsize=12) |
|---|
| 1915 | Plot.set_xlabel('2-theta',fontsize=12) |
|---|
| 1916 | Img = Plot.imshow(image,cmap=acolor,vmin=Imin,vmax=Imax,interpolation='nearest', \ |
|---|
| 1917 | extent=[ysc[0],ysc[-1],xsc[-1],xsc[0]],aspect='auto') |
|---|
| 1918 | colorBar = Page.figure.colorbar(Img) |
|---|
| 1919 | if Data['setRings'] and Data['rings']: |
|---|
| 1920 | rings = np.concatenate((Data['rings']),axis=0) |
|---|
| 1921 | for xring,yring,dsp in rings: |
|---|
| 1922 | x,y = G2img.GetTthAzm(xring,yring,Data) |
|---|
| 1923 | Plot.plot(x,y,'r+') |
|---|
| 1924 | if Data['ellipses']: |
|---|
| 1925 | for ellipse in Data['ellipses']: |
|---|
| 1926 | ring = np.array(G2img.makeIdealRing(ellipse[:3])) #skip color |
|---|
| 1927 | x,y = np.hsplit(ring,2) |
|---|
| 1928 | tth,azm = G2img.GetTthAzm(x,y,Data) |
|---|
| 1929 | # azm = np.where(azm < 0.,azm+360,azm) |
|---|
| 1930 | Plot.plot(tth,azm,'b,') |
|---|
| 1931 | if not newPlot: |
|---|
| 1932 | Page.toolbar.push_current() |
|---|
| 1933 | Plot.set_xlim(xylim[0]) |
|---|
| 1934 | Plot.set_ylim(xylim[1]) |
|---|
| 1935 | xylim = [] |
|---|
| 1936 | Page.toolbar.push_current() |
|---|
| 1937 | Page.toolbar.draw() |
|---|
| 1938 | else: |
|---|
| 1939 | Page.canvas.draw() |
|---|
| 1940 | |
|---|
| 1941 | def PlotTRImage(self,tax,tay,taz,newPlot=False): |
|---|
| 1942 | '''a test plot routine - not normally used |
|---|
| 1943 | ''' |
|---|
| 1944 | |
|---|
| 1945 | def OnMotion(event): |
|---|
| 1946 | Page.canvas.SetToolTipString('') |
|---|
| 1947 | Page.canvas.SetCursor(wx.CROSS_CURSOR) |
|---|
| 1948 | azm = event.xdata |
|---|
| 1949 | tth = event.ydata |
|---|
| 1950 | if azm and tth: |
|---|
| 1951 | self.G2plotNB.status.SetFields(\ |
|---|
| 1952 | ['','Detector 2-th =%9.3fdeg, azm = %7.2fdeg'%(tth,azm)]) |
|---|
| 1953 | |
|---|
| 1954 | try: |
|---|
| 1955 | plotNum = self.G2plotNB.plotList.index('2D Transformed Powder Image') |
|---|
| 1956 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1957 | if not newPlot: |
|---|
| 1958 | Plot = Page.figure.gca() #get previous plot & get limits |
|---|
| 1959 | xylim = Plot.get_xlim(),Plot.get_ylim() |
|---|
| 1960 | Page.figure.clf() |
|---|
| 1961 | Plot = Page.figure.gca() #get a fresh plot after clf() |
|---|
| 1962 | |
|---|
| 1963 | except ValueError: |
|---|
| 1964 | Plot = self.G2plotNB.addMpl('2D Transformed Powder Image').gca() |
|---|
| 1965 | plotNum = self.G2plotNB.plotList.index('2D Transformed Powder Image') |
|---|
| 1966 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 1967 | Page.canvas.mpl_connect('motion_notify_event', OnMotion) |
|---|
| 1968 | Page.views = False |
|---|
| 1969 | view = False |
|---|
| 1970 | Page.SetFocus() |
|---|
| 1971 | |
|---|
| 1972 | Data = self.PatternTree.GetItemPyData( |
|---|
| 1973 | G2gd.GetPatternTreeItemId(self,self.Image, 'Image Controls')) |
|---|
| 1974 | Imin,Imax = Data['range'][1] |
|---|
| 1975 | step = (Imax-Imin)/5. |
|---|
| 1976 | V = np.arange(Imin,Imax,step) |
|---|
| 1977 | acolor = mpl.cm.get_cmap(Data['color']) |
|---|
| 1978 | Plot.set_title(self.PatternTree.GetItemText(self.Image)[4:]) |
|---|
| 1979 | Plot.set_xlabel('azimuth',fontsize=12) |
|---|
| 1980 | Plot.set_ylabel('2-theta',fontsize=12) |
|---|
| 1981 | Plot.contour(tax,tay,taz,V,cmap=acolor) |
|---|
| 1982 | if Data['showLines']: |
|---|
| 1983 | IOtth = Data['IOtth'] |
|---|
| 1984 | if Data['fullIntegrate']: |
|---|
| 1985 | LRAzim = [-180,180] |
|---|
| 1986 | else: |
|---|
| 1987 | LRAzim = Data['LRazimuth'] #NB: integers |
|---|
| 1988 | Plot.plot([LRAzim[0],LRAzim[1]],[IOtth[0],IOtth[0]],picker=True) |
|---|
| 1989 | Plot.plot([LRAzim[0],LRAzim[1]],[IOtth[1],IOtth[1]],picker=True) |
|---|
| 1990 | if not Data['fullIntegrate']: |
|---|
| 1991 | Plot.plot([LRAzim[0],LRAzim[0]],[IOtth[0],IOtth[1]],picker=True) |
|---|
| 1992 | Plot.plot([LRAzim[1],LRAzim[1]],[IOtth[0],IOtth[1]],picker=True) |
|---|
| 1993 | if Data['setRings']: |
|---|
| 1994 | rings = np.concatenate((Data['rings']),axis=0) |
|---|
| 1995 | for xring,yring,dsp in rings: |
|---|
| 1996 | x,y = G2img.GetTthAzm(xring,yring,Data) |
|---|
| 1997 | Plot.plot(y,x,'r+') |
|---|
| 1998 | if Data['ellipses']: |
|---|
| 1999 | for ellipse in Data['ellipses']: |
|---|
| 2000 | ring = np.array(G2img.makeIdealRing(ellipse[:3])) #skip color |
|---|
| 2001 | x,y = np.hsplit(ring,2) |
|---|
| 2002 | tth,azm = G2img.GetTthAzm(x,y,Data) |
|---|
| 2003 | Plot.plot(azm,tth,'b,') |
|---|
| 2004 | if not newPlot: |
|---|
| 2005 | Page.toolbar.push_current() |
|---|
| 2006 | Plot.set_xlim(xylim[0]) |
|---|
| 2007 | Plot.set_ylim(xylim[1]) |
|---|
| 2008 | xylim = [] |
|---|
| 2009 | Page.toolbar.push_current() |
|---|
| 2010 | Page.toolbar.draw() |
|---|
| 2011 | else: |
|---|
| 2012 | Page.canvas.draw() |
|---|
| 2013 | |
|---|
| 2014 | def PlotStructure(self,data): |
|---|
| 2015 | '''Crystal structure plotting package. Can show structures as balls, sticks, lines, |
|---|
| 2016 | thermal motion ellipsoids and polyhedra |
|---|
| 2017 | ''' |
|---|
| 2018 | generalData = data['General'] |
|---|
| 2019 | cell = generalData['Cell'][1:7] |
|---|
| 2020 | Amat,Bmat = G2lat.cell2AB(cell) #Amat - crystal to cartesian, Bmat - inverse |
|---|
| 2021 | A4mat = np.concatenate((np.concatenate((Amat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0) |
|---|
| 2022 | B4mat = np.concatenate((np.concatenate((Bmat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0) |
|---|
| 2023 | Mydir = generalData['Mydir'] |
|---|
| 2024 | atomData = data['Atoms'] |
|---|
| 2025 | drawingData = data['Drawing'] |
|---|
| 2026 | drawAtoms = drawingData['Atoms'] |
|---|
| 2027 | cx,ct,cs = drawingData['atomPtrs'] |
|---|
| 2028 | Wt = [255,255,255] |
|---|
| 2029 | Rd = [255,0,0] |
|---|
| 2030 | Gr = [0,255,0] |
|---|
| 2031 | Bl = [0,0,255] |
|---|
| 2032 | uBox = np.array([[0,0,0],[1,0,0],[1,1,0],[0,1,0],[0,0,1],[1,0,1],[1,1,1],[0,1,1]]) |
|---|
| 2033 | uEdges = np.array([ |
|---|
| 2034 | [uBox[0],uBox[1]],[uBox[0],uBox[3]],[uBox[0],uBox[4]],[uBox[1],uBox[2]], |
|---|
| 2035 | [uBox[2],uBox[3]],[uBox[1],uBox[5]],[uBox[2],uBox[6]],[uBox[3],uBox[7]], |
|---|
| 2036 | [uBox[4],uBox[5]],[uBox[5],uBox[6]],[uBox[6],uBox[7]],[uBox[7],uBox[4]]]) |
|---|
| 2037 | uColors = [Rd,Gr,Bl,Wt, Wt,Wt,Wt,Wt, Wt,Wt,Wt,Wt] |
|---|
| 2038 | altDown = False |
|---|
| 2039 | shiftDown = False |
|---|
| 2040 | ctrlDown = False |
|---|
| 2041 | |
|---|
| 2042 | def OnKeyBox(event): |
|---|
| 2043 | import Image |
|---|
| 2044 | Draw() #make sure plot is fresh!! |
|---|
| 2045 | mode = cb.GetValue() |
|---|
| 2046 | Fname = Mydir+'\\'+generalData['Name']+'.'+mode |
|---|
| 2047 | size = Page.canvas.GetSize() |
|---|
| 2048 | glPixelStorei(GL_UNPACK_ALIGNMENT, 1) |
|---|
| 2049 | if mode in ['jpeg',]: |
|---|
| 2050 | Pix = glReadPixels(0,0,size[0],size[1],GL_RGBA, GL_UNSIGNED_BYTE) |
|---|
| 2051 | im = Image.new("RGBA", (size[0],size[1])) |
|---|
| 2052 | else: |
|---|
| 2053 | Pix = glReadPixels(0,0,size[0],size[1],GL_RGB, GL_UNSIGNED_BYTE) |
|---|
| 2054 | im = Image.new("RGB", (size[0],size[1])) |
|---|
| 2055 | im.fromstring(Pix) |
|---|
| 2056 | im.save(Fname,mode) |
|---|
| 2057 | cb.SetValue(' Save as:') |
|---|
| 2058 | self.G2plotNB.status.SetStatusText('Drawing saved to: '+Fname,1) |
|---|
| 2059 | |
|---|
| 2060 | def GetTruePosition(xy): |
|---|
| 2061 | View = glGetIntegerv(GL_VIEWPORT) |
|---|
| 2062 | Proj = glGetDoublev(GL_PROJECTION_MATRIX) |
|---|
| 2063 | Model = glGetDoublev(GL_MODELVIEW_MATRIX) |
|---|
| 2064 | Zmax = 1. |
|---|
| 2065 | for i,atom in enumerate(drawAtoms): |
|---|
| 2066 | x,y,z = atom[cx:cx+3] |
|---|
| 2067 | X,Y,Z = gluProject(x,y,z,Model,Proj,View) |
|---|
| 2068 | XY = [int(X),int(View[3]-Y)] |
|---|
| 2069 | if np.allclose(xy,XY,atol=10) and Z < Zmax: |
|---|
| 2070 | Zmax = Z |
|---|
| 2071 | SetSelectedAtoms(i) |
|---|
| 2072 | |
|---|
| 2073 | def OnMouseDown(event): |
|---|
| 2074 | xy = event.GetPosition() |
|---|
| 2075 | if event.ShiftDown(): |
|---|
| 2076 | GetTruePosition(xy) |
|---|
| 2077 | else: |
|---|
| 2078 | drawingData['Rotation'][3] = xy |
|---|
| 2079 | Draw() |
|---|
| 2080 | |
|---|
| 2081 | def OnMouseMove(event): |
|---|
| 2082 | newxy = event.GetPosition() |
|---|
| 2083 | page = getSelection() |
|---|
| 2084 | if event.ControlDown() and drawingData['showABC']: |
|---|
| 2085 | if event.LeftIsDown(): |
|---|
| 2086 | SetTestRot(newxy) |
|---|
| 2087 | elif event.RightIsDown(): |
|---|
| 2088 | SetTestPos(newxy) |
|---|
| 2089 | elif event.MiddleIsDown(): |
|---|
| 2090 | SetTestRotZ(newxy) |
|---|
| 2091 | x,y,z = drawingData['testPos'][0] |
|---|
| 2092 | self.G2plotNB.status.SetStatusText('moving test point %.4f,%.4f,%.4f'%(x,y,z),1) |
|---|
| 2093 | |
|---|
| 2094 | |
|---|
| 2095 | if event.Dragging() and not event.ControlDown(): |
|---|
| 2096 | if event.LeftIsDown(): |
|---|
| 2097 | SetRotation(newxy) |
|---|
| 2098 | angX,angY,angZ = drawingData['Rotation'][:3] |
|---|
| 2099 | self.G2plotNB.status.SetStatusText('New rotation: %.2f, %.2f ,%.2f'%(angX,angY,angZ),1) |
|---|
| 2100 | elif event.RightIsDown(): |
|---|
| 2101 | SetTranslation(newxy) |
|---|
| 2102 | Tx,Ty,Tz = drawingData['viewPoint'][0] |
|---|
| 2103 | self.G2plotNB.status.SetStatusText('New view point: %.4f, %.4f, %.4f'%(Tx,Ty,Tz),1) |
|---|
| 2104 | elif event.MiddleIsDown(): |
|---|
| 2105 | SetRotationZ(newxy) |
|---|
| 2106 | angX,angY,angZ = drawingData['Rotation'][:3] |
|---|
| 2107 | self.G2plotNB.status.SetStatusText('New rotation: %.2f, %.2f, %.2f'%(angX,angY,angZ),1) |
|---|
| 2108 | Draw() |
|---|
| 2109 | |
|---|
| 2110 | def OnMouseWheel(event): |
|---|
| 2111 | drawingData['cameraPos'] += event.GetWheelRotation()/24 |
|---|
| 2112 | drawingData['cameraPos'] = max(10,min(500,drawingData['cameraPos'])) |
|---|
| 2113 | self.G2plotNB.status.SetStatusText('New camera distance: %.2f'%(drawingData['cameraPos']),1) |
|---|
| 2114 | page = getSelection() |
|---|
| 2115 | if page: |
|---|
| 2116 | if self.dataDisplay.GetPageText(page) == 'Draw Options': |
|---|
| 2117 | panel = self.dataDisplay.GetPage(page).GetChildren()[0].GetChildren() |
|---|
| 2118 | names = [child.GetName() for child in panel] |
|---|
| 2119 | panel[names.index('cameraPos')].SetLabel('Camera Position: '+'%.2f'%(drawingData['cameraPos'])) |
|---|
| 2120 | panel[names.index('cameraSlider')].SetValue(drawingData['cameraPos']) |
|---|
| 2121 | Draw() |
|---|
| 2122 | |
|---|
| 2123 | def getSelection(): |
|---|
| 2124 | try: |
|---|
| 2125 | return self.dataDisplay.GetSelection() |
|---|
| 2126 | except AttributeError: |
|---|
| 2127 | print self.dataDisplay.GetLabel() |
|---|
| 2128 | self.G2plotNB.status.SetStatusText('Select this from Phase data window!') |
|---|
| 2129 | return 0 |
|---|
| 2130 | |
|---|
| 2131 | def SetViewPointText(VP): |
|---|
| 2132 | page = getSelection() |
|---|
| 2133 | if page: |
|---|
| 2134 | if self.dataDisplay.GetPageText(page) == 'Draw Options': |
|---|
| 2135 | panel = self.dataDisplay.GetPage(page).GetChildren()[0].GetChildren() |
|---|
| 2136 | names = [child.GetName() for child in panel] |
|---|
| 2137 | panel[names.index('viewPoint')].SetValue('%.3f, %.3f, %.3f'%(VP[0],VP[1],VP[2])) |
|---|
| 2138 | |
|---|
| 2139 | def ClearSelectedAtoms(): |
|---|
| 2140 | page = getSelection() |
|---|
| 2141 | if page: |
|---|
| 2142 | if self.dataDisplay.GetPageText(page) == 'Draw Atoms': |
|---|
| 2143 | self.dataDisplay.GetPage(page).ClearSelection() #this is the Atoms grid in Draw Atoms |
|---|
| 2144 | elif self.dataDisplay.GetPageText(page) == 'Atoms': |
|---|
| 2145 | self.dataDisplay.GetPage(page).ClearSelection() #this is the Atoms grid in Atoms |
|---|
| 2146 | |
|---|
| 2147 | def SetSelectedAtoms(ind): |
|---|
| 2148 | page = getSelection() |
|---|
| 2149 | if page: |
|---|
| 2150 | if self.dataDisplay.GetPageText(page) == 'Draw Atoms': |
|---|
| 2151 | self.dataDisplay.GetPage(page).SelectRow(ind) #this is the Atoms grid in Draw Atoms |
|---|
| 2152 | elif self.dataDisplay.GetPageText(page) == 'Atoms': |
|---|
| 2153 | Id = drawAtoms[ind][-2] |
|---|
| 2154 | for i,atom in enumerate(atomData): |
|---|
| 2155 | if atom[-1] == Id: |
|---|
| 2156 | self.dataDisplay.GetPage(page).SelectRow(i) #this is the Atoms grid in Atoms |
|---|
| 2157 | |
|---|
| 2158 | def GetSelectedAtoms(): |
|---|
| 2159 | page = getSelection() |
|---|
| 2160 | Ind = [] |
|---|
| 2161 | if page: |
|---|
| 2162 | if self.dataDisplay.GetPageText(page) == 'Draw Atoms': |
|---|
| 2163 | Ind = self.dataDisplay.GetPage(page).GetSelectedRows() #this is the Atoms grid in Draw Atoms |
|---|
| 2164 | elif self.dataDisplay.GetPageText(page) == 'Atoms': |
|---|
| 2165 | Ind = self.dataDisplay.GetPage(page).GetSelectedRows() #this is the Atoms grid in Atoms |
|---|
| 2166 | return Ind |
|---|
| 2167 | |
|---|
| 2168 | def OnKey(event): #on key UP!! |
|---|
| 2169 | keyCode = event.GetKeyCode() |
|---|
| 2170 | if keyCode > 255: |
|---|
| 2171 | keyCode = 0 |
|---|
| 2172 | key,xyz = chr(keyCode),event.GetPosition() |
|---|
| 2173 | indx = drawingData['selectedAtoms'] |
|---|
| 2174 | if key in ['c','C']: |
|---|
| 2175 | drawingData['viewPoint'] = [[.5,.5,.5],[0,0]] |
|---|
| 2176 | drawingData['testPos'] = [[-.1,-.1,-.1],[0.0,0.0,0.0],[0,0]] |
|---|
| 2177 | drawingData['Rotation'] = [0.0,0.0,0.0,[]] |
|---|
| 2178 | SetViewPointText(drawingData['viewPoint'][0]) |
|---|
| 2179 | elif key in ['n','N']: |
|---|
| 2180 | drawAtoms = drawingData['Atoms'] |
|---|
| 2181 | pI = drawingData['viewPoint'][1] |
|---|
| 2182 | if indx: |
|---|
| 2183 | pI[0] = indx[pI[1]] |
|---|
| 2184 | Tx,Ty,Tz = drawAtoms[pI[0]][cx:cx+3] |
|---|
| 2185 | pI[1] += 1 |
|---|
| 2186 | if pI[1] >= len(indx): |
|---|
| 2187 | pI[1] = 0 |
|---|
| 2188 | else: |
|---|
| 2189 | Tx,Ty,Tz = drawAtoms[pI[0]][cx:cx+3] |
|---|
| 2190 | pI[0] += 1 |
|---|
| 2191 | if pI[0] >= len(drawAtoms): |
|---|
| 2192 | pI[0] = 0 |
|---|
| 2193 | drawingData['viewPoint'] = [[Tx,Ty,Tz],pI] |
|---|
| 2194 | SetViewPointText(drawingData['viewPoint'][0]) |
|---|
| 2195 | |
|---|
| 2196 | elif key in ['p','P']: |
|---|
| 2197 | drawAtoms = drawingData['Atoms'] |
|---|
| 2198 | pI = drawingData['viewPoint'][1] |
|---|
| 2199 | if indx: |
|---|
| 2200 | pI[0] = indx[pI[1]] |
|---|
| 2201 | Tx,Ty,Tz = drawAtoms[pI[0]][cx:cx+3] |
|---|
| 2202 | pI[1] -= 1 |
|---|
| 2203 | if pI[1] < 0: |
|---|
| 2204 | pI[1] = len(indx)-1 |
|---|
| 2205 | else: |
|---|
| 2206 | Tx,Ty,Tz = drawAtoms[pI[0]][cx:cx+3] |
|---|
| 2207 | pI[0] -= 1 |
|---|
| 2208 | if pI[0] < 0: |
|---|
| 2209 | pI[0] = len(drawAtoms)-1 |
|---|
| 2210 | drawingData['viewPoint'] = [[Tx,Ty,Tz],pI] |
|---|
| 2211 | SetViewPointText(drawingData['viewPoint'][0]) |
|---|
| 2212 | Draw() |
|---|
| 2213 | |
|---|
| 2214 | def SetBackground(): |
|---|
| 2215 | R,G,B,A = Page.camera['backColor'] |
|---|
| 2216 | glClearColor(R,G,B,A) |
|---|
| 2217 | glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT) |
|---|
| 2218 | |
|---|
| 2219 | def SetLights(): |
|---|
| 2220 | glEnable(GL_DEPTH_TEST) |
|---|
| 2221 | glShadeModel(GL_SMOOTH) |
|---|
| 2222 | glEnable(GL_LIGHTING) |
|---|
| 2223 | glEnable(GL_LIGHT0) |
|---|
| 2224 | glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,0) |
|---|
| 2225 | glLightfv(GL_LIGHT0,GL_AMBIENT,[1,1,1,.8]) |
|---|
| 2226 | glLightfv(GL_LIGHT0,GL_DIFFUSE,[1,1,1,1]) |
|---|
| 2227 | |
|---|
| 2228 | def SetTranslation(newxy): |
|---|
| 2229 | Tx,Ty,Tz = drawingData['viewPoint'][0] |
|---|
| 2230 | anglex,angley,anglez,oldxy = drawingData['Rotation'] |
|---|
| 2231 | Rx = G2lat.rotdMat(anglex,0) |
|---|
| 2232 | Ry = G2lat.rotdMat(angley,1) |
|---|
| 2233 | Rz = G2lat.rotdMat(anglez,2) |
|---|
| 2234 | dxy = list(newxy-oldxy)+[0,] |
|---|
| 2235 | dxy = np.inner(Bmat,np.inner(Rz,np.inner(Ry,np.inner(Rx,dxy)))) |
|---|
| 2236 | Tx -= dxy[0]*0.01 |
|---|
| 2237 | Ty += dxy[1]*0.01 |
|---|
| 2238 | Tz -= dxy[2]*0.01 |
|---|
| 2239 | drawingData['Rotation'][3] = newxy |
|---|
| 2240 | drawingData['viewPoint'][0] = Tx,Ty,Tz |
|---|
| 2241 | SetViewPointText([Tx,Ty,Tz]) |
|---|
| 2242 | |
|---|
| 2243 | def SetTestPos(newxy): |
|---|
| 2244 | Tx,Ty,Tz = drawingData['testPos'][0] |
|---|
| 2245 | anglex,angley,anglez,oldxy = drawingData['Rotation'] |
|---|
| 2246 | Rx = G2lat.rotdMat(anglex,0) |
|---|
| 2247 | Ry = G2lat.rotdMat(angley,1) |
|---|
| 2248 | Rz = G2lat.rotdMat(anglez,2) |
|---|
| 2249 | dxy = list(newxy-oldxy)+[0,] |
|---|
| 2250 | dxy = np.inner(Rz,np.inner(Ry,np.inner(Rx,dxy))) |
|---|
| 2251 | Tx += dxy[0]*0.001 |
|---|
| 2252 | Ty -= dxy[1]*0.001 |
|---|
| 2253 | Tz += dxy[2]*0.001 |
|---|
| 2254 | drawingData['Rotation'][3] = newxy |
|---|
| 2255 | drawingData['testPos'][0] = Tx,Ty,Tz |
|---|
| 2256 | |
|---|
| 2257 | def SetTestRot(newxy): |
|---|
| 2258 | Txyz = np.array(drawingData['testPos'][0]) |
|---|
| 2259 | oldxy = drawingData['testPos'][2] |
|---|
| 2260 | Ax,Ay,Az = drawingData['testPos'][1] |
|---|
| 2261 | Vxyz = np.array(drawingData['viewPoint'][0]) |
|---|
| 2262 | Dxyz = np.inner(Amat,Txyz-Vxyz) |
|---|
| 2263 | dxy = list(newxy-oldxy)+[0,] |
|---|
| 2264 | Ax += dxy[1]*0.01 |
|---|
| 2265 | Ay += dxy[0]*0.01 |
|---|
| 2266 | Rx = G2lat.rotdMat(Ax,0) |
|---|
| 2267 | Ry = G2lat.rotdMat(Ay,1) |
|---|
| 2268 | Dxyz = np.inner(Ry,np.inner(Rx,Dxyz)) |
|---|
| 2269 | Dxyz = np.inner(Bmat,Dxyz)+Vxyz |
|---|
| 2270 | drawingData['testPos'][1] = [Ax,Ay,Az] |
|---|
| 2271 | drawingData['testPos'][2] = newxy |
|---|
| 2272 | drawingData['testPos'][0] = Dxyz |
|---|
| 2273 | |
|---|
| 2274 | def SetTestRotZ(newxy): |
|---|
| 2275 | Txyz = np.array(drawingData['testPos'][0]) |
|---|
| 2276 | oldxy = drawingData['testPos'][2] |
|---|
| 2277 | Ax,Ay,Az = drawingData['testPos'][1] |
|---|
| 2278 | Vxyz = np.array(drawingData['viewPoint'][0]) |
|---|
| 2279 | Dxyz = np.inner(Amat,Txyz-Vxyz) |
|---|
| 2280 | dxy = list(newxy-oldxy)+[0,] |
|---|
| 2281 | Az += (dxy[0]+dxy[1])*.01 |
|---|
| 2282 | Rz = G2lat.rotdMat(Az,2) |
|---|
| 2283 | Dxyz = np.inner(Rz,Dxyz) |
|---|
| 2284 | Dxyz = np.inner(Bmat,Dxyz)+Vxyz |
|---|
| 2285 | drawingData['testPos'][1] = [Ax,Ay,Az] |
|---|
| 2286 | drawingData['testPos'][2] = newxy |
|---|
| 2287 | drawingData['testPos'][0] = Dxyz |
|---|
| 2288 | |
|---|
| 2289 | def SetRotation(newxy): |
|---|
| 2290 | anglex,angley,anglez,oldxy = drawingData['Rotation'] |
|---|
| 2291 | dxy = newxy-oldxy |
|---|
| 2292 | anglex += dxy[1]*.25 |
|---|
| 2293 | angley += dxy[0]*.25 |
|---|
| 2294 | oldxy = newxy |
|---|
| 2295 | drawingData['Rotation'] = [anglex,angley,anglez,oldxy] |
|---|
| 2296 | |
|---|
| 2297 | def SetRotationZ(newxy): |
|---|
| 2298 | anglex,angley,anglez,oldxy = drawingData['Rotation'] |
|---|
| 2299 | dxy = newxy-oldxy |
|---|
| 2300 | anglez += (dxy[0]+dxy[1])*.25 |
|---|
| 2301 | oldxy = newxy |
|---|
| 2302 | drawingData['Rotation'] = [anglex,angley,anglez,oldxy] |
|---|
| 2303 | |
|---|
| 2304 | def RenderBox(): |
|---|
| 2305 | glEnable(GL_COLOR_MATERIAL) |
|---|
| 2306 | glLineWidth(2) |
|---|
| 2307 | glEnable(GL_BLEND) |
|---|
| 2308 | glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA) |
|---|
| 2309 | glEnable(GL_LINE_SMOOTH) |
|---|
| 2310 | glBegin(GL_LINES) |
|---|
| 2311 | for line,color in zip(uEdges,uColors): |
|---|
| 2312 | glColor3ubv(color) |
|---|
| 2313 | glVertex3fv(line[0]) |
|---|
| 2314 | glVertex3fv(line[1]) |
|---|
| 2315 | glEnd() |
|---|
| 2316 | glColor4ubv([0,0,0,0]) |
|---|
| 2317 | glDisable(GL_LINE_SMOOTH) |
|---|
| 2318 | glDisable(GL_BLEND) |
|---|
| 2319 | glDisable(GL_COLOR_MATERIAL) |
|---|
| 2320 | |
|---|
| 2321 | def RenderUnitVectors(x,y,z): |
|---|
| 2322 | xyz = np.array([x,y,z]) |
|---|
| 2323 | glEnable(GL_COLOR_MATERIAL) |
|---|
| 2324 | glLineWidth(1) |
|---|
| 2325 | glPushMatrix() |
|---|
| 2326 | glTranslate(x,y,z) |
|---|
| 2327 | glScalef(1/cell[0],1/cell[1],1/cell[2]) |
|---|
| 2328 | glBegin(GL_LINES) |
|---|
| 2329 | for line,color in zip(uEdges,uColors)[:3]: |
|---|
| 2330 | glColor3ubv(color) |
|---|
| 2331 | glVertex3fv(line[0]) |
|---|
| 2332 | glVertex3fv(line[1]) |
|---|
| 2333 | glEnd() |
|---|
| 2334 | glPopMatrix() |
|---|
| 2335 | glColor4ubv([0,0,0,0]) |
|---|
| 2336 | glDisable(GL_COLOR_MATERIAL) |
|---|
| 2337 | |
|---|
| 2338 | def RenderSphere(x,y,z,radius,color): |
|---|
| 2339 | glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color) |
|---|
| 2340 | glPushMatrix() |
|---|
| 2341 | glTranslate(x,y,z) |
|---|
| 2342 | glMultMatrixf(B4mat.T) |
|---|
| 2343 | q = gluNewQuadric() |
|---|
| 2344 | gluSphere(q,radius,20,10) |
|---|
| 2345 | glPopMatrix() |
|---|
| 2346 | |
|---|
| 2347 | def RenderEllipsoid(x,y,z,ellipseProb,E,R4,color): |
|---|
| 2348 | s1,s2,s3 = E |
|---|
| 2349 | glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color) |
|---|
| 2350 | glPushMatrix() |
|---|
| 2351 | glTranslate(x,y,z) |
|---|
| 2352 | glMultMatrixf(B4mat.T) |
|---|
| 2353 | glMultMatrixf(R4.T) |
|---|
| 2354 | glEnable(GL_NORMALIZE) |
|---|
| 2355 | glScale(s1,s2,s3) |
|---|
| 2356 | q = gluNewQuadric() |
|---|
| 2357 | gluSphere(q,ellipseProb,20,10) |
|---|
| 2358 | glDisable(GL_NORMALIZE) |
|---|
| 2359 | glPopMatrix() |
|---|
| 2360 | |
|---|
| 2361 | def RenderBonds(x,y,z,Bonds,radius,color,slice=20): |
|---|
| 2362 | glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color) |
|---|
| 2363 | glPushMatrix() |
|---|
| 2364 | glTranslate(x,y,z) |
|---|
| 2365 | glMultMatrixf(B4mat.T) |
|---|
| 2366 | for bond in Bonds: |
|---|
| 2367 | glPushMatrix() |
|---|
| 2368 | Dx = np.inner(Amat,bond) |
|---|
| 2369 | Z = np.sqrt(np.sum(Dx**2)) |
|---|
| 2370 | azm = atan2d(-Dx[1],-Dx[0]) |
|---|
| 2371 | phi = acosd(Dx[2]/Z) |
|---|
| 2372 | glRotate(-azm,0,0,1) |
|---|
| 2373 | glRotate(phi,1,0,0) |
|---|
| 2374 | q = gluNewQuadric() |
|---|
| 2375 | gluCylinder(q,radius,radius,Z,slice,2) |
|---|
| 2376 | glPopMatrix() |
|---|
| 2377 | glPopMatrix() |
|---|
| 2378 | |
|---|
| 2379 | def RenderLines(x,y,z,Bonds,color): |
|---|
| 2380 | xyz = np.array([x,y,z]) |
|---|
| 2381 | glEnable(GL_COLOR_MATERIAL) |
|---|
| 2382 | glLineWidth(1) |
|---|
| 2383 | glColor3fv(color) |
|---|
| 2384 | glPushMatrix() |
|---|
| 2385 | glBegin(GL_LINES) |
|---|
| 2386 | for bond in Bonds: |
|---|
| 2387 | glVertex3fv(xyz) |
|---|
| 2388 | glVertex3fv(xyz+bond) |
|---|
| 2389 | glEnd() |
|---|
| 2390 | glColor4ubv([0,0,0,0]) |
|---|
| 2391 | glPopMatrix() |
|---|
| 2392 | glDisable(GL_COLOR_MATERIAL) |
|---|
| 2393 | |
|---|
| 2394 | def RenderPolyhedra(x,y,z,Faces,color): |
|---|
| 2395 | glPushMatrix() |
|---|
| 2396 | glTranslate(x,y,z) |
|---|
| 2397 | glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color) |
|---|
| 2398 | glShadeModel(GL_SMOOTH) |
|---|
| 2399 | glMultMatrixf(B4mat.T) |
|---|
| 2400 | for face,norm in Faces: |
|---|
| 2401 | glPolygonMode(GL_FRONT_AND_BACK,GL_FILL) |
|---|
| 2402 | glFrontFace(GL_CW) |
|---|
| 2403 | glNormal3fv(norm) |
|---|
| 2404 | glBegin(GL_TRIANGLES) |
|---|
| 2405 | for vert in face: |
|---|
| 2406 | glVertex3fv(vert) |
|---|
| 2407 | glEnd() |
|---|
| 2408 | glPopMatrix() |
|---|
| 2409 | |
|---|
| 2410 | def RenderBackbone(Backbone,BackboneColor,radius): |
|---|
| 2411 | glPushMatrix() |
|---|
| 2412 | glMultMatrixf(B4mat.T) |
|---|
| 2413 | glEnable(GL_COLOR_MATERIAL) |
|---|
| 2414 | glShadeModel(GL_SMOOTH) |
|---|
| 2415 | gleSetJoinStyle(TUBE_NORM_EDGE | TUBE_JN_ANGLE | TUBE_JN_CAP) |
|---|
| 2416 | glePolyCylinder(Backbone,BackboneColor,radius) |
|---|
| 2417 | glPopMatrix() |
|---|
| 2418 | glDisable(GL_COLOR_MATERIAL) |
|---|
| 2419 | |
|---|
| 2420 | def RenderLabel(x,y,z,label,r): |
|---|
| 2421 | glPushMatrix() |
|---|
| 2422 | glTranslate(x,y,z) |
|---|
| 2423 | glMultMatrixf(B4mat.T) |
|---|
| 2424 | glDisable(GL_LIGHTING) |
|---|
| 2425 | glColor3f(0,1.,0) |
|---|
| 2426 | glRasterPos3f(r,r,r) |
|---|
| 2427 | for c in list(label): |
|---|
| 2428 | glutBitmapCharacter(GLUT_BITMAP_8_BY_13,ord(c)) |
|---|
| 2429 | glEnable(GL_LIGHTING) |
|---|
| 2430 | glPopMatrix() |
|---|
| 2431 | |
|---|
| 2432 | def Draw(): |
|---|
| 2433 | import numpy.linalg as nl |
|---|
| 2434 | Ind = GetSelectedAtoms() |
|---|
| 2435 | VS = np.array(Page.canvas.GetSize()) |
|---|
| 2436 | aspect = float(VS[0])/float(VS[1]) |
|---|
| 2437 | cPos = drawingData['cameraPos'] |
|---|
| 2438 | Zclip = drawingData['Zclip']*cPos/200. |
|---|
| 2439 | anglex,angley,anglez = drawingData['Rotation'][:3] |
|---|
| 2440 | Tx,Ty,Tz = drawingData['viewPoint'][0] |
|---|
| 2441 | cx,ct,cs = drawingData['atomPtrs'] |
|---|
| 2442 | bondR = drawingData['bondRadius'] |
|---|
| 2443 | G,g = G2lat.cell2Gmat(cell) |
|---|
| 2444 | GS = G |
|---|
| 2445 | GS[0][1] = GS[1][0] = math.sqrt(GS[0][0]*GS[1][1]) |
|---|
| 2446 | GS[0][2] = GS[2][0] = math.sqrt(GS[0][0]*GS[2][2]) |
|---|
| 2447 | GS[1][2] = GS[2][1] = math.sqrt(GS[1][1]*GS[2][2]) |
|---|
| 2448 | ellipseProb = G2lat.criticalEllipse(drawingData['ellipseProb']/100.) |
|---|
| 2449 | |
|---|
| 2450 | SetBackground() |
|---|
| 2451 | glInitNames() |
|---|
| 2452 | glPushName(0) |
|---|
| 2453 | |
|---|
| 2454 | glMatrixMode(GL_PROJECTION) |
|---|
| 2455 | glLoadIdentity() |
|---|
| 2456 | glViewport(0,0,VS[0],VS[1]) |
|---|
| 2457 | gluPerspective(20.,aspect,cPos-Zclip,cPos+Zclip) |
|---|
| 2458 | gluLookAt(0,0,cPos,0,0,0,0,1,0) |
|---|
| 2459 | SetLights() |
|---|
| 2460 | |
|---|
| 2461 | glMatrixMode(GL_MODELVIEW) |
|---|
| 2462 | glLoadIdentity() |
|---|
| 2463 | glRotate(anglez,0,0,1) |
|---|
| 2464 | glRotate(anglex,cosd(anglez),-sind(anglez),0) |
|---|
| 2465 | glRotate(angley,sind(anglez),cosd(anglez),0) |
|---|
| 2466 | glMultMatrixf(A4mat.T) |
|---|
| 2467 | glTranslate(-Tx,-Ty,-Tz) |
|---|
| 2468 | if drawingData['unitCellBox']: |
|---|
| 2469 | RenderBox() |
|---|
| 2470 | if drawingData['showABC']: |
|---|
| 2471 | x,y,z = drawingData['testPos'][0] |
|---|
| 2472 | # if altDown: |
|---|
| 2473 | # self.G2plotNB.status.SetStatusText('moving test point %.4f,%.4f,%.4f'%(x,y,z),1) |
|---|
| 2474 | # else: |
|---|
| 2475 | # self.G2plotNB.status.SetStatusText('test point %.4f,%.4f,%.4f'%(x,y,z),1) |
|---|
| 2476 | RenderUnitVectors(x,y,z) |
|---|
| 2477 | Backbone = [] |
|---|
| 2478 | BackboneColor = [] |
|---|
| 2479 | time0 = time.time() |
|---|
| 2480 | for iat,atom in enumerate(drawingData['Atoms']): |
|---|
| 2481 | x,y,z = atom[cx:cx+3] |
|---|
| 2482 | Bonds = atom[-2] |
|---|
| 2483 | Faces = atom[-1] |
|---|
| 2484 | try: |
|---|
| 2485 | atNum = generalData['AtomTypes'].index(atom[ct]) |
|---|
| 2486 | except ValueError: |
|---|
| 2487 | atNum = -1 |
|---|
| 2488 | CL = atom[cs+2] |
|---|
| 2489 | color = np.array(CL)/255. |
|---|
| 2490 | if iat in Ind: |
|---|
| 2491 | color = np.array(Gr)/255. |
|---|
| 2492 | radius = 0.5 |
|---|
| 2493 | if atom[cs] != '': |
|---|
| 2494 | glLoadName(atom[-3]) |
|---|
| 2495 | if 'balls' in atom[cs]: |
|---|
| 2496 | vdwScale = drawingData['vdwScale'] |
|---|
| 2497 | ballScale = drawingData['ballScale'] |
|---|
| 2498 | if atNum < 0: |
|---|
| 2499 | radius = 0.2 |
|---|
| 2500 | elif 'H' == atom[ct]: |
|---|
| 2501 | if drawingData['showHydrogen']: |
|---|
| 2502 | if 'vdW' in atom[cs] and atNum >= 0: |
|---|
| 2503 | radius = vdwScale*generalData['vdWRadii'][atNum] |
|---|
| 2504 | else: |
|---|
| 2505 | radius = ballScale*drawingData['sizeH'] |
|---|
| 2506 | else: |
|---|
| 2507 | radius = 0.0 |
|---|
| 2508 | else: |
|---|
| 2509 | if 'vdW' in atom[cs]: |
|---|
| 2510 | radius = vdwScale*generalData['vdWRadii'][atNum] |
|---|
| 2511 | else: |
|---|
| 2512 | radius = ballScale*generalData['BondRadii'][atNum] |
|---|
| 2513 | RenderSphere(x,y,z,radius,color) |
|---|
| 2514 | if 'sticks' in atom[cs]: |
|---|
| 2515 | RenderBonds(x,y,z,Bonds,bondR,color) |
|---|
| 2516 | elif 'ellipsoids' in atom[cs]: |
|---|
| 2517 | RenderBonds(x,y,z,Bonds,bondR,color) |
|---|
| 2518 | if atom[cs+3] == 'A': |
|---|
| 2519 | Uij = atom[cs+5:cs+11] |
|---|
| 2520 | U = np.multiply(G2spc.Uij2U(Uij),GS) |
|---|
| 2521 | U = np.inner(Amat,np.inner(U,Amat).T) |
|---|
| 2522 | E,R = nl.eigh(U) |
|---|
| 2523 | R4 = np.concatenate((np.concatenate((R,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0) |
|---|
| 2524 | E = np.sqrt(E) |
|---|
| 2525 | if atom[ct] == 'H' and not drawingData['showHydrogen']: |
|---|
| 2526 | pass |
|---|
| 2527 | else: |
|---|
| 2528 | RenderEllipsoid(x,y,z,ellipseProb,E,R4,color) |
|---|
| 2529 | else: |
|---|
| 2530 | if atom[ct] == 'H' and not drawingData['showHydrogen']: |
|---|
| 2531 | pass |
|---|
| 2532 | else: |
|---|
| 2533 | radius = ellipseProb*math.sqrt(abs(atom[cs+4])) |
|---|
| 2534 | RenderSphere(x,y,z,radius,color) |
|---|
| 2535 | elif 'lines' in atom[cs]: |
|---|
| 2536 | radius = 0.1 |
|---|
| 2537 | RenderLines(x,y,z,Bonds,color) |
|---|
| 2538 | # RenderBonds(x,y,z,Bonds,0.05,color,6) |
|---|
| 2539 | elif atom[cs] == 'sticks': |
|---|
| 2540 | radius = 0.1 |
|---|
| 2541 | RenderBonds(x,y,z,Bonds,bondR,color) |
|---|
| 2542 | elif atom[cs] == 'polyhedra': |
|---|
| 2543 | RenderPolyhedra(x,y,z,Faces,color) |
|---|
| 2544 | elif atom[cs] == 'backbone': |
|---|
| 2545 | if atom[ct-1].split()[0] in ['C','N']: |
|---|
| 2546 | Backbone.append(list(np.inner(Amat,np.array([x,y,z])))) |
|---|
| 2547 | BackboneColor.append(list(color)) |
|---|
| 2548 | |
|---|
| 2549 | if atom[cs+1] == 'type': |
|---|
| 2550 | RenderLabel(x,y,z,atom[ct],radius) |
|---|
| 2551 | elif atom[cs+1] == 'name': |
|---|
| 2552 | RenderLabel(x,y,z,atom[ct-1],radius) |
|---|
| 2553 | elif atom[cs+1] == 'number': |
|---|
| 2554 | RenderLabel(x,y,z,str(iat+1),radius) |
|---|
| 2555 | elif atom[cs+1] == 'residue' and atom[ct-1] == 'CA': |
|---|
| 2556 | RenderLabel(x,y,z,atom[ct-4],radius) |
|---|
| 2557 | elif atom[cs+1] == '1-letter' and atom[ct-1] == 'CA': |
|---|
| 2558 | RenderLabel(x,y,z,atom[ct-3],radius) |
|---|
| 2559 | elif atom[cs+1] == 'chain' and atom[ct-1] == 'CA': |
|---|
| 2560 | RenderLabel(x,y,z,atom[ct-2],radius) |
|---|
| 2561 | if Backbone: |
|---|
| 2562 | RenderBackbone(Backbone,BackboneColor,bondR) |
|---|
| 2563 | # print time.time()-time0 |
|---|
| 2564 | Page.canvas.SwapBuffers() |
|---|
| 2565 | |
|---|
| 2566 | def OnSize(event): |
|---|
| 2567 | Draw() |
|---|
| 2568 | |
|---|
| 2569 | def OnFocus(event): |
|---|
| 2570 | Draw() |
|---|
| 2571 | |
|---|
| 2572 | try: |
|---|
| 2573 | plotNum = self.G2plotNB.plotList.index(generalData['Name']) |
|---|
| 2574 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 2575 | except ValueError: |
|---|
| 2576 | Plot = self.G2plotNB.addOgl(generalData['Name']) |
|---|
| 2577 | plotNum = self.G2plotNB.plotList.index(generalData['Name']) |
|---|
| 2578 | Page = self.G2plotNB.nb.GetPage(plotNum) |
|---|
| 2579 | Page.views = False |
|---|
| 2580 | view = False |
|---|
| 2581 | altDown = False |
|---|
| 2582 | Page.SetFocus() |
|---|
| 2583 | cb = wx.ComboBox(self.G2plotNB.status,style=wx.CB_DROPDOWN|wx.CB_READONLY, |
|---|
| 2584 | choices=(' save as:','jpeg','tiff','bmp')) |
|---|
| 2585 | cb.Bind(wx.EVT_COMBOBOX, OnKeyBox) |
|---|
| 2586 | cb.SetValue(' save as:') |
|---|
| 2587 | Page.canvas.Bind(wx.EVT_MOUSEWHEEL, OnMouseWheel) |
|---|
| 2588 | Page.canvas.Bind(wx.EVT_LEFT_DOWN, OnMouseDown) |
|---|
| 2589 | Page.canvas.Bind(wx.EVT_RIGHT_DOWN, OnMouseDown) |
|---|
| 2590 | Page.canvas.Bind(wx.EVT_MIDDLE_DOWN, OnMouseDown) |
|---|
| 2591 | Page.canvas.Bind(wx.EVT_KEY_UP, OnKey) |
|---|
| 2592 | Page.canvas.Bind(wx.EVT_MOTION, OnMouseMove) |
|---|
| 2593 | Page.canvas.Bind(wx.EVT_SIZE, OnSize) |
|---|
| 2594 | Page.canvas.Bind(wx.EVT_SET_FOCUS, OnFocus) |
|---|
| 2595 | Page.camera['position'] = drawingData['cameraPos'] |
|---|
| 2596 | Page.camera['viewPoint'] = np.inner(Amat,drawingData['viewPoint'][0]) |
|---|
| 2597 | Page.camera['backColor'] = np.array(list(drawingData['backColor'])+[0,])/255. |
|---|
| 2598 | Page.canvas.SetCurrent() |
|---|
| 2599 | Draw() |
|---|
| 2600 | |
|---|
