Changeset 4461 for trunk

Timestamp:

Jun 3, 2020 5:09:35 PM (3 years ago)

Author:

vondreele

Message:

fix bugs in MakeRMC6f & MakefullrmcPDB

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIpwd.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -5974 +5974 @@
                 '_SQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) for '],
                 '_SQ2.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q)-2 for '],
-                '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP F(Q) for '],
+                '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP x-ray S(Q) for '],
                 '_FT_XFQ1.csv':[r'$\mathsf{R,\AA}$','g(R)','RMCP x-ray g(R) for '],
                 '_bragg.csv':[r'$\mathsf{TOF,\mu s}$','Normalized Intensity','RMCP bragg for ']}

trunk/GSASIIpwd.py

@@ -2230 +2230 @@
     Dups,Fracs = findDup(Phase['Atoms'])
     Sfracs = [np.cumsum(fracs) for fracs in Fracs]
-    ifSfracs = np.any(np.array(Sfracs)-1.)
+    ifSfracs = any([np.any(sfracs-1.) for sfracs in Sfracs])
     Sample = PWDdata['Sample Parameters']
     Meta['temperature'] = Sample['Temperature']
@@ -2783 +2783 @@
     Dups,Fracs = findDup(Phase['Atoms'])
     Sfracs = [np.cumsum(fracs) for fracs in Fracs]
-    ifSfracs = np.any(np.array(Sfracs)-1.)
+    ifSfracs = any([np.any(sfracs-1.) for sfracs in Sfracs])
     Supercell = RMCPdict['SuperCell']
     Cell = generalData['Cell'][1:7]