fix self-test & improve docs

Author: briantoby

GSASII/GSASIIscriptable.py

@@ -5588,16 +5588,22 @@ def addDistRestraint(self, origin, target, bond, factor=1.1, ESD=0.01):
         return count
 
     def Origin1to2Shift(self):
-        '''Applied an Origin 1 to Origin 2 shift to the selected phase
+        '''Applies an Origin 1 to Origin 2 shift to the selected phase, 
+        if defined. Note that GSAS-II only uses Origin 2 settings when 
+        both are offered in the International Tables. 
+        (These are space groups where the centre of symmetry is not 
+        at the highest symmetry site in the cell.) 
+        If the structure is not in the Origin 1 setting, 
+        this routine will create garbage.
 
         A copy of the phase is made where the new phase name has the string 
         "_shifted" added to it. The routine returns a reference to the 
         new :class:`G2Phase` object for the new phase. 
 
         If the phase is not one of the space groups that has Origin 1 & Origin 2
-        settings, None is return.
+        settings, None is returned.
 
-        :returns: returns a newly created phase object or None
+        :returns: the newly created phase object or None
         '''
         gpx = self.proj
         SGData = self.data['General']['SGData']

GSASII/imports/G2phase_RRUFF.py

@@ -7,8 +7,6 @@
 import numpy as np
 import random as ran
 from .. import GSASIIobj as G2obj
-from .. import GSASIIspc as G2spc
-from .. import GSASIIlattice as G2lat
 
 class PhaseReaderClass(G2obj.ImportPhase):
     '''A quickly-written importer to open a .txt file from the RRUFF database 
@@ -45,6 +43,8 @@ def ContentsValidator(self, filename):
     def Reader(self,filename,ParentFrame=None, **unused):
         'Read a DIF file from RRUFF'
         #self.errors = 'Error opening file'
+        from .. import GSASIIspc as G2spc
+        from .. import GSASIIlattice as G2lat
         Title = ''
         atomsmode = False
         fp = open(filename, 'r')

docs/source/GSASIIscriptable.rst

@@ -329,6 +329,7 @@ method                                                      Use
 :meth:`~GSASIIscriptable.G2Phase.clearDistRestraint`        Clears any previously defined bond distance restraint(s) for the selected phase
 :meth:`~GSASIIscriptable.G2Phase.addDistRestraint`          Finds and defines new bond distance restraint(s) for the selected phase
 :meth:`~GSASIIscriptable.G2Phase.setDistRestraintWeight`    Sets the weighting factor for the bond distance restraints
+:meth:`~GSASIIscriptable.G2Phase.Origin1to2Shift`           Shifts the atom coordinates from an Origin 1 setting to the Origin 2 setting
 ========================================================    ===============================================================================================================
 
 .. _Class_G2PwdrData: