Merge remote-tracking branch 'remotes/origin/fix_rmcprofile_issues'

Author: vondreele

.notes/.linenoteplus

@@ -0,0 +1,5 @@
+# The location of this `.linenoteplus` file determines
+# the path to store and retrieve your notes.
+
+# To relocate your notes, simply move or rename 
+# the directory that contains this `.linenoteplus` file.

GSASII/GSASIIphsGUI.py

@@ -6388,8 +6388,12 @@ def RunRMCProfile(event):
             ascript_file = os.path.join(os.getcwd(), "runrmc.script")
             with open(ascript_file, 'w') as f:
                 f.write('tell application "Terminal"\n')
-                f.write(f'''  do script "echo 'Running RMCprofile'"\n''')
+                f.write('  if not (exists window 1) then\n')
+                f.write(f'    do script "bash {script_file}"\n')
+                f.write('  else\n')
                 f.write(f'  do script "bash {script_file}" in window 1\n')
+                f.write('  end if\n')
+                f.write('  activate\n')
                 f.write("end tell\n")
             subp.Popen(['osascript', ascript_file])
         elif sys.platform.startswith("linux"):
@@ -6607,8 +6611,12 @@ def OnViewRMC(event):
             generalData = data['General']
             RMCPdict = data['RMC']['RMCProfile']
             pName = generalData['Name'].replace(' ','_')
+            if sys.platform == "darwin":
+               wildcard = 'RMCProfile result csv files|' + pName + '*.csv' + '|All files|*.*'
+            else:
+               wildcard = 'RMCProfile result csv files|' + pName + '*.csv'
             dlg = wx.FileDialog(G2frame, "Choose any RMCProfile csv results file for "+pName+":",
-                defaultDir=G2frame.LastGPXdir,style=wx.FD_CHANGE_DIR,wildcard='RMCProfile result csv files|'+pName+'*.csv')
+                defaultDir=G2frame.LastGPXdir,style=wx.FD_CHANGE_DIR,wildcard=wildcard)
             if dlg.ShowModal() == wx.ID_OK:
                 path = os.path.split(dlg.GetPath())[0]
                 dlg.Destroy()

GSASII/GSASIIpwd.py

@@ -3431,7 +3431,7 @@ def MakeRMCPdat(PWDdata,Name,Phase,RMCPdict):
     dMin = refList[-1][4]
     gsasType = 'xray2'
     if 'T' in inst['Type'][1]:
-        gsasType = 'gsas3'
+        gsasType = 'gsas3_new'
     elif 'X' in inst['Type'][1]:
         XFF = G2elem.GetFFtable(Atseq)
         Xfl = open(Name+'.xray','w')

GSASII/GSASIIrmcGUI.py

@@ -226,13 +226,14 @@ def OnFileSel(event):
                 style=wx.FD_OPEN ,wildcard=fil+'(*.*)|*.*')
             if dlg.ShowModal() == wx.ID_OK:
                 fpath,fName = os.path.split(dlg.GetPath())
-                if os.path.exists(fName): # is there a file by this name in the current directory?
+                if os.path.exists(os.path.join(G2frame.LastGPXdir,fName)): # is there a file by this name in the current directory?
                     RMCPdict['files'][fil][0] = fName
                 else: # nope, copy it
                     # TODO: is G2frame.LastGPXdir the right choice here or
                     #       do I want the current working directory (same?)
                     shutil.copy(dlg.GetPath(), os.path.join(G2frame.LastGPXdir,fName))
-                if not os.path.exists(fName): # sanity check
+                    RMCPdict['files'][fil][0] = fName
+                if not os.path.exists(os.path.join(G2frame.LastGPXdir,fName)): # sanity check
                     print(f'Error: file {fName} not found in .gpx directory ({G2frame.LastGPXdir})')
                     return
                 G2frame.LastImportDir = fpath    #set so next file is found in same place
@@ -270,7 +271,7 @@ def OnPlotBtn(event):
             XY = np.empty((1,2))
             while XY.shape[0] == 1:
                 try:
-                    XY = np.loadtxt(fileItem[0],skiprows=start)
+                    XY = np.loadtxt(os.path.join(G2frame.LastGPXdir,fileItem[0]),skiprows=start)
                 except ValueError:
                     start += 1
                     if start > 500:     #absurd number of header lines!
@@ -551,7 +552,7 @@ def OnSetVal(event):
             if 'Xray' in fil:
                 nform = 1
                 Name = 'Xdata'
-            if Rfile and os.path.exists(Rfile): #incase .gpx file is moved away from G(R), F(Q), etc. files
+            if Rfile and os.path.exists(os.path.join(G2frame.LastGPXdir,Rfile)): #incase .gpx file is moved away from G(R), F(Q), etc. files
                 fileFormat = wx.ComboBox(G2frame.FRMC,choices=Formats[:nform],style=wx.CB_DROPDOWN|wx.TE_READONLY)
                 fileFormat.SetStringSelection(RMCPdict['files'][fil][3])
                 Indx[fileFormat.GetId()] = fil