Changeset 4548

Timestamp:

Aug 19, 2020 8:14:36 AM (3 years ago)

Author:

vondreele

Message:

Add csv exporter for reflectometry data

Location:

trunk

Files:

• GSASIIIO.py (modified) (6 diffs)
• GSASIIdataGUI.py (modified) (3 diffs)
• exports/G2export_csv.py (modified) (1 diff)

trunk/GSASIIIO.py

@@ -1155 +1155 @@
         self.powderDict = {}
         self.sasdDict = {}
+        self.refdDict = {}
         self.xtalDict = {}
         self.parmDict = {}
@@ -1314 +1315 @@
                 self.histnam = [choices[hnum]]
                 numselected = len(self.histnam)
+        elif self.currentExportType == 'refd':
+            if len(self.refdDict) == 0:
+                self.G2frame.ErrorDialog(
+                    'Empty project',
+                    'Project does not contain any reflectivity data.')
+                return True
+            elif len(self.refdDict) == 1:
+                self.histnam = self.refdDict.values()
+            elif self.multiple:
+                choices = sorted(self.refdDict.values())
+                hnum = G2G.ItemSelector(choices,self.G2frame,multiple=True)
+                if not hnum: return True
+                self.histnam = [choices[i] for i in hnum]
+                numselected = len(self.histnam)
+            else:
+                choices = sorted(self.refdDict.values())
+                hnum = G2G.ItemSelector(choices,self.G2frame)
+                if hnum is None: return True
+                self.histnam = [choices[hnum]]
+                numselected = len(self.histnam)
         elif self.currentExportType == 'image':
             if len(self.Histograms) == 0:
@@ -1489 +1510 @@
         self.powderDict = {}
         self.sasdDict = {}
+        self.refdDict = {}
         self.xtalDict = {}
         self.Phases = {}
@@ -1516 +1538 @@
         elif self.currentExportType == 'sasd':
             histType = 'SASD'
+        elif self.currentExportType == 'refd':
+            histType = 'REFD'
 
         if histType: # Loading just one kind of tree entry
@@ -1550 +1574 @@
                 elif hist.startswith("SASD"):
                     d = self.sasdDict
+                elif hist.startswith("REFD"):
+                    d = self.refdDict
                 else:
                     return                    
@@ -1577 +1603 @@
             elif hist.startswith("SASD"):
                 self.sasdDict[i] = hist
+            elif hist.startswith("REFD"):
+                self.refdDict[i] = hist
 
     def dumpTree(self,mode='type'):

trunk/GSASIIdataGUI.py

@@ -2719 +2719 @@
         powdermenu = wx.Menu()
         item = menu.AppendSubMenu(powdermenu,'Powder data as','Export powder diffraction histogram(s)')
+        
+        sasdmenu = wx.Menu()
+        item = menu.AppendSubMenu(sasdmenu,'Small angle data as','Export small angle histogram(s)')
+
+        refdmenu = wx.Menu()
+        item = menu.AppendSubMenu(refdmenu,'Reflectometry data as','Export reflectometry histogram(s)')
 
         singlemenu = wx.Menu()
@@ -2728 +2734 @@
         mapmenu = wx.Menu()
         item = menu.AppendSubMenu(mapmenu,'Maps as','Export density map(s)')
-        
-        sasdmenu = wx.Menu()
-        item = menu.AppendSubMenu(sasdmenu,'Small angle data as','Export small angle histogram(s)')
 
         # sequential exports are handled differently; N.B. enabled in testSeqRefineMode
@@ -2762 +2765 @@
                 elif typ == "sasd":
                     submenu = sasdmenu
+                elif typ == "refd":
+                    submenu = refdmenu
                 # elif typ == "pdf":
                 #     submenu = pdfmenu

trunk/exports/G2export_csv.py

@@ -465 +465 @@
             print('Histogram '+hist+' written to file '+self.fullpath)
 
+class ExportREFDCSV(G2IO.ExportBaseclass):
+    '''Used to create a csv file for a reflectometry 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 = 'CSV file',
+            extension='.csv',
+            longFormatName = 'Export reflectometry data as comma-separated (csv) file'
+            )
+        self.exporttype = ['refd']
+        #self.multiple = False # only allow one histogram to be selected
+        self.multiple = True
+
+    def Writer(self,TreeName,filename=None):
+        self.OpenFile(filename)
+        histblk = self.Histograms[TreeName]
+        # if len(self.Histograms[TreeName]['Models']['Size']['Distribution']):
+        #     self.Write('"Size Distribution"')
+        #     Distr = np.array(self.Histograms[TreeName]['Models']['Size']['Distribution'])
+        #     WriteList(self,("bin_pos","bin_width","bin_value"))
+        #     digitList = 2*((13,3),)+((13,4,'g'),)
+        #     for bindata in Distr.T:
+        #         line = ""
+        #         for val,digits in zip(bindata,digitList):
+        #             if line: line += ','
+        #             line += G2py3.FormatValue(val,digits)
+        #         self.Write(line)            
+        self.Write('"Reflectometry data"')
+        Parms = self.Histograms[TreeName]['Instrument Parameters'][0]
+        for parm in Parms:
+            if parm in ['Type','Source',]:
+                line = '"Instparm: %s","%s"'%(parm,Parms[parm][0])
+            elif parm in ['Lam',]:
+                line = '"Instparm: %s",%10.6f'%(parm,Parms[parm][1])
+            else:
+                line = '"Instparm: %s",%10.2f'%(parm,Parms[parm][1])
+            self.Write(line)
+        WriteList(self,("q","y_obs","y_sig","y_calc","y_bkg"))
+        digitList = 5*((13,5,'g'),)
+        for vallist in zip(histblk['Data'][0],
+                       histblk['Data'][1],
+                       1./np.sqrt(histblk['Data'][2]),
+                       histblk['Data'][3],
+                       histblk['Data'][4],
+                       ):
+            line = ""
+            for val,digits in zip(vallist,digitList):
+                if line: line += ','
+                line += G2py3.FormatValue(val,digits)
+            self.Write(line)
+        self.CloseFile()
+        
+    def Exporter(self,event=None):
+        '''Export a set of reflectometry data as a csv 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:
+            if len(self.histnam) == 1:
+                name = self.filename
+            else:    # multiple files: create a unique name from the histogram
+                name = self.MakePWDRfilename(hist)
+            fileroot = os.path.splitext(G2obj.MakeUniqueLabel(name,filenamelist))[0]
+            # create the file
+            self.filename = os.path.join(self.dirname,fileroot + self.extension)
+            self.Writer(hist)
+            print('Histogram '+hist+' written to file '+self.fullpath)
+
 class ExportSingleCSV(G2IO.ExportBaseclass):
     '''Used to create a csv file with single crystal reflection data