Changeset 2376 for trunk/exports/G2export_FIT2D.py

Timestamp:

Jul 13, 2016 3:01:31 PM (7 years ago)

Author:

vondreele

Message:

add q-bin chi file exporter

File:

• trunk/exports/G2export_FIT2D.py (modified) (1 diff)

trunk/exports/G2export_FIT2D.py

@@ -71 +71 @@
             self.Writer(hist)
             print('Histogram '+str(hist)+' written to file '+str(self.fullpath))
+
+class ExportPowderQCHI(G2IO.ExportBaseclass):
+    '''Used to create a q-binned CHI file for a powder data set
+
+    :param wx.Frame G2frame: reference to main GSAS-II frame
+    '''
+    def __init__(self,G2frame):
+        super(self.__class__,self).__init__( # fancy way to say <parentclass>.__init__
+            G2frame=G2frame,
+            formatName = 'Fit2D q-bin chi file',
+            extension='.chi',
+            longFormatName = 'Export powder data as q-bin Fit2D .chi file'
+            )
+        self.exporttype = ['powder']
+        self.multiple = True
+
+    def Writer(self,TreeName,filename=None):
+        import GSASIIlattice as G2lat
+        self.OpenFile(filename)
+        histblk = self.Histograms[TreeName]
+        inst = histblk['Instrument Parameters'][0]
+        self.Write(str(TreeName)[5:]) # drop 'PWDR '
+        self.Write("Q")
+        self.Write("Intensity")
+        self.Write("       "+str(len(histblk['Data'][0])))
+        for X,Y in zip(histblk['Data'][0],histblk['Data'][1]):
+            line = " %5.7e" % (2.*np.pi/G2lat.Pos2dsp(inst,X))
+            line += "   %5.7e" % Y
+            self.Write(line)
+        self.CloseFile()
+        
+    def Exporter(self,event=None):
+        '''Export a set of powder data as a q-bin Fit2D .chi file
+        '''
+        # the export process starts here
+        self.InitExport(event)
+        # load all of the tree into a set of dicts
+        self.loadTree()
+        if self.ExportSelect( # set export parameters
+            AskFile='single' # get a file name/directory to save in
+            ): return
+        filenamelist = []
+        for hist in self.histnam:
+            # multiple files: create a unique name from the histogram
+            fileroot = G2obj.MakeUniqueLabel(self.MakePWDRfilename(hist),filenamelist)
+            # create an instrument parameter file
+            self.filename = os.path.join(self.dirname,fileroot + self.extension)
+            self.Writer(hist)
+            print('Histogram '+str(hist)+' written to file '+str(self.fullpath))