misc fixes related to running self-tests; docs updates

Author: briantoby

GSASII/GSASII.py

@@ -11,14 +11,12 @@
     pkginfo = importlib.util.find_spec('GSASII.GSASIIGUI')
 except ModuleNotFoundError:
     pkginfo = None
-    
-if pkginfo is None:  # fixup path if GSASII not installed into Python
-    os.environ["GSASII_YOLO_PATH"] = "True"
-    sys.path.insert(0,os.path.dirname(os.path.dirname(__file__)))
-
-from GSASII.GSASIIGUI import main
 
 if __name__ == '__main__':
+    if pkginfo is None:  # fixup path if GSASII not installed into Python
+        os.environ["GSASII_YOLO_PATH"] = "True"
+        sys.path.insert(0,os.path.dirname(os.path.dirname(__file__)))
+    from GSASII.GSASIIGUI import main
     if pkginfo is None:  # fixup path if GSASII not installed into Python
         print('GSAS-II not installed in Python: Hacking sys.path')
     main()

GSASII/GSASIIphsGUI.py

@@ -3294,7 +3294,9 @@ def _selectSuperGroups(rowdict,csdict,msg,depth=0,key=0):
             mainSizer = wx.BoxSizer(wx.VERTICAL)
             dlg.SetSizer(mainSizer)
             mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,
-                                            SUBGROUPS.BilbaoSymSearchCite))
+                f'''Using the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
+program; Please cite:
+{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}'''))
             mainSizer.Add((-1,5))
             G2G.HorizontalLine(mainSizer,dlg)
             txt = wx.StaticText(dlg,wx.ID_ANY,
@@ -3367,7 +3369,9 @@ def _selectHiSymCell(rowdict,csdict):
             mainSizer = wx.BoxSizer(wx.VERTICAL)
             dlg.SetSizer(mainSizer)
             mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,
-                                            SUBGROUPS.BilbaoSymSearchCite))
+                    f'''Using the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
+program; Please cite:
+{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}'''))
             mainSizer.Add((-1,5))
             G2G.HorizontalLine(mainSizer,dlg)
             showSizer = wx.BoxSizer(wx.HORIZONTAL)
@@ -3470,7 +3474,10 @@ def _showWebPage(event):
                                 style=wx.DEFAULT_DIALOG_STYLE|wx.RESIZE_BORDER)
             mainSizer = wx.BoxSizer(wx.VERTICAL)
             dlg.SetSizer(mainSizer)
-            mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,SUBGROUPS.BilbaoSymSearchCite))
+            mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,
+                    f'''Using the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
+program; Please cite:
+{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}'''))
             if msg:
                 txt = wx.StaticText(dlg,wx.ID_ANY,'Starting from '+msg.replace('\n',' '))
             txt.Wrap(width)
@@ -3563,7 +3570,9 @@ def _showSummary(G2frame,msgs,gpxList):
             mainSizer = wx.BoxSizer(wx.VERTICAL)
             dlg.SetSizer(mainSizer)
             mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,
-                                            SUBGROUPS.BilbaoSymSearchCite))
+                f'''Using the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
+program; Please cite:
+{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}'''))
             mainSizer.Add((-1,10))
             mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,
                 f'From the starting model, {len(gpxList)} possible supergroups were located.'))

GSASII/SUBGROUPS.py

@@ -465,10 +465,6 @@ def applySym(xform,cell):
             ))
     return cellsList
 
-BilbaoSymSearchCite = f'''Using the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
-program; Please cite:
-{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}'''
-
 def BilbaoSymSearch1(sgnum, phase, maxdelta=2, angtol=None,
                          pagelist=None, keepCell=False):
     '''Perform a search for a supergroup consistent with a phase
@@ -509,7 +505,9 @@ def BilbaoSymSearch1(sgnum, phase, maxdelta=2, angtol=None,
         contain possible supergroup settings.
     '''
 
-    print('\n'+BilbaoSymSearchCite+'\n')
+    print(f'''\nUsing the Bilbao Crystallographic Server Pseudosymmetry search (PSEUDO) 
+program; Please cite:
+{G2G.GetCite('Bilbao: PSEUDO',wrap=70,indent=5)}\n''')
 
     postdict = {
         "formulae":'',

docs/ReadTheDocs_build.sh

@@ -174,9 +174,12 @@ Python extension packages are required:
 * matplotlib (http://matplotlib.org/contents.html)  and
 * PyOpenGL (http://pyopengl.sourceforge.net/documentation). 
 
-GSAS-II will not start if the above packages are not available. In
-addition, several Python packages are referenced in sections of the
-GUI code, but are not required. If these packages are not present, warning
+GSAS-II will not start or will start but will not be able to do much
+if the above packages are not available.
+
+In addition to the previous required packages, several Python packages
+are utilized in limited sections of the GUI code, but are not
+required. If these packages are not present, warning
 messages may be generated if they would be needed, or menu items may
 be omitted, but the vast bulk of GSAS-II will function normally. These
 optional packages are:

docs/source/packages.rst

@@ -10,7 +10,13 @@
 
 skip = False
 import importlib.util  # fixup path if GSASII not installed into Python
-if importlib.util.find_spec('GSASII.GSASIIscriptable') is None:
+G2loc = None
+try: 
+    G2loc = importlib.util.find_spec('GSASII.GSASIIscriptable')
+except ModuleNotFoundError:
+    print('ModuleNotFound for GSASII.GSASIIscriptable')
+
+if G2loc is None:
     print('GSAS-II not installed in Python: Hacking sys.path')
     os.environ["GSASII_YOLO_PATH"] = "True"
     sys.path.append(os.path.dirname(home))
@@ -21,6 +27,7 @@
         print("unable to run inside testing suite?!")
         skip = True
 
+import GSASII
 import GSASII.GSASIIscriptable as G2sc
 
 def test_refine():