adapt CIF Origin1->2 for scripting; cleanup unused vars

Author: briantoby

GSASII/GSASIIctrlGUI.py

@@ -31,7 +31,7 @@
 import random as ran
 import numpy as np
 
-import matplotlib as mpl
+#import matplotlib as mpl
 try:
     from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as Canvas
 except ImportError:
@@ -47,7 +47,7 @@
 from . import GSASIIpwd as G2pwd
 from . import GSASIIlattice as G2lat
 from . import GSASIImath as G2mth
-from . import GSASIIstrMain as G2stMn
+#from . import GSASIIstrMain as G2stMn
 from . import GSASIImiscGUI as G2IO
 from .tutorialIndex import tutorialIndex
 if sys.version_info[0] >= 3:
@@ -5042,7 +5042,7 @@ def SetContents(self,parent):
                 if parent.hisNum != '*' and name.split(':')[1] != parent.hisNum: continue
             if (parent.varName != ' ') and (parent.varName not in name): continue
             self.varList.append(name)
-        oldlen = self.GetItemCount()
+        #oldlen = self.GetItemCount()
         self.SetItemCount(len(self.varList))
 
     def OnRowSelected(self, event, row=None):
@@ -6025,7 +6025,7 @@ def copy2clip(event):
         msg += f"\n\n * For {key} use cite:\n"
         msg += GetCite(key,wrap=95,indent=6)
     msg += '\n\nNote that your citations are one of the strongest ways you can say thank you to the\nscientists who make their software available to you.'
-    res = ShowScrolledInfo(parent,msg,header='Please Cite',
+    ShowScrolledInfo(parent,msg,header='Please Cite',
                            buttonlist=[
         ('Close', lambda event: event.GetEventObject().GetParent().EndModal(wx.ID_OK)),
         ('Copy to clipboard', copy2clip),
@@ -6283,7 +6283,7 @@ def copyURL(event):
     # place HTML title into window title
     dlg.wv.Bind(wx.EVT_UPDATE_UI, lambda event:
                     dlg.SetTitle(dlg.wv.GetCurrentTitle()))
-    lastWebView = dlg.wv
+    #lastWebView = dlg.wv
     sizer.Add(dlg.wv,1,wx.EXPAND)
     # row of buttons & URL label on bottom of window
     bsizer=wx.BoxSizer(wx.HORIZONTAL)
@@ -7349,7 +7349,7 @@ class gitVersionSelector(wx.Dialog):
     from a git repository
     '''
     def __init__(self,parent=None):
-        import git
+        #import git
         self.g2repo = GSASIIpath.openGitRepo(path2GSAS2)
         self.githistory = GSASIIpath.gitHistory('hash',self.g2repo)
         # patch Feb 2024: don't allow access to versions that are too old
@@ -7492,7 +7492,7 @@ def docCommit(self,commit):
 
         :returns: a multi-line string
         '''
-        import datetime
+        #import datetime
         fmtdate = lambda c:"{:%d-%b-%Y %H:%M}".format(c.committed_datetime)
         commit = self.g2repo.commit(commit)  # converts a hash, if supplied
         msg = f'git {commit.hexsha[:10]} from {fmtdate(commit)}'
@@ -9397,6 +9397,15 @@ def askQuestion(parent,question,title):
         dlg.Destroy()
     return ans
 
+def haveGUI():
+    '''Test if there is a GUI that can be accessed
+    :returns: True if a GUI is available
+    '''
+    try:
+        return wx.App.IsMainLoopRunning()
+    except:
+        return False
+
 #===========================================================================
 def gitFetch(G2frame):
     wx.BeginBusyCursor()
@@ -9832,7 +9841,7 @@ def gitSwitchMaster2Main():
 
 See web page GSASII.github.io for information on how to install GSAS-II. 
 '''
-        res = ShowScrolledInfo(G2frame,msg,header='Please Note',
+        ShowScrolledInfo(G2frame,msg,header='Please Note',
                                 height=250)
         return
 
@@ -9941,13 +9950,13 @@ def gitSwitchMaster2Main():
     if script and sys.platform.startswith('darwin'):
         print(f'running {script}')
         import subprocess
-        out = subprocess.run([sys.executable,script],cwd=GSASIIpath.path2GSAS2)
+        subprocess.run([sys.executable,script],cwd=GSASIIpath.path2GSAS2)
     # On windows make a batch file with hard-coded paths to Python and GSAS-II
     elif script and sys.platform.startswith('win'):
         script = os.path.normpath(os.path.join(GSASIIpath.path2GSAS2,'install',s))
         print(f'running {script!r}')
         import subprocess
-        out = subprocess.run([sys.executable,script],cwd=GSASIIpath.path2GSAS2)
+        subprocess.run([sys.executable,script],cwd=GSASIIpath.path2GSAS2)
     # On linux, make a desktop icon with hard-coded paths to Python and GSAS-II
     elif script:
         sys.argv = [script]

GSASII/imports/G2phase_CIF.py

@@ -672,23 +672,31 @@ def Reader(self,filename, ParentFrame=None, usedRanIdList=[], **unused):
                 msg = 'This CIF uses a space group setting not compatible with GSAS-II.\n'
                 if self.Phase['General']['SGData']['SpGrp'] in G2spc.spg2origins:
                     msg += '\nThis is likely due to the space group being set in Origin 1 rather than 2.\n'
-                msg += '''
+                haveGUI = False
+                ans = True
+                try:
+                    from .. import GSASIIctrlGUI as G2G
+                    haveGUI = G2G.haveGUI()
+                except Exception as err: # fails if non-interactive (no wxPython)
+                    print(err)
+                if haveGUI:
+                    msg += '''
 Do you want to use Bilbao's "CIF to Standard Setting" web service to
 transform this into a standard setting?
 '''
-                if self.Phase['General']['SGData']['SpGrp'] in G2spc.spg2origins and not centro:
-                    msg += '''
+                    if self.Phase['General']['SGData']['SpGrp'] in G2spc.spg2origins and not centro:
+                        msg += '''
 If you say "no" here, later, you will get the chance to apply a simple origin
 shift later as an alternative to the above.'''
+                    else:
+                        msg += '\nIf you say "no" here you will need to do this yourself manually.'
+                    try:
+                        ans = G2G.askQuestion(ParentFrame,msg,'xform structure?')
+                    except Exception as err: # fails if non-interactive (no wxPython)
+                        print(err)
                 else:
-                    msg += '\nIf you say "no" here you will need to do this yourself manually.'
-                try:
-                    from .. import GSASIIctrlGUI as G2G
-                    ans = G2G.askQuestion(ParentFrame,msg,'xform structure?')
-                except Exception as err: # fails if non-interactive (no wxPython)
-                    print(err)
-                    print('\nCIF symops do not agree with GSAS-II, calling Bilbao "CIF to Standard Setting" web service.\n')
-                    ans = True
+                    print(msg)
+                print('\nCIF symops do not agree with GSAS-II, calling Bilbao "CIF to Standard Setting" web service.\n')
                 if ans:
                     from .. import SUBGROUPS
                     SUBGROUPS.createStdSetting(filename,self)