Changeset 4906

Timestamp:

May 18, 2021 8:19:22 AM (2 years ago)

Author:

vondreele

Message:

 

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (3 diffs)
• imports/G2phase_xyz.py (modified) (1 diff)

trunk/GSASIIconstrGUI.py

@@ -93 +93 @@
         Sets the focus.
         '''
+        if grid.GetTable().GetValue(row,col) not in [True,False]:
+            return
         self.startValue = int(grid.GetTable().GetValue(row, col))
         self.saveVals = row, col, grid
@@ -2292 +2294 @@
                 XZ = copy.copy(XYZ)
                 XZ[:,1] = 1
-                (a,d,b), resd, rank, sing = nl.lstsq(XZ, -Y)
+                (a,d,b), resd, rank, sing = nl.lstsq(XZ, -Y,rcond=-1)
                 resid_min = resd
                 normal = a,1,b
                 YZ = copy.copy(XYZ)
                 YZ[:,0] = 1
-                (d,a,b), resd, rank, sing = nl.lstsq(YZ, -X)
+                (d,a,b), resd, rank, sing = nl.lstsq(YZ, -X,rcond=-1)
                 if resid_min > resd:
                     resid_min = resd
@@ -2303 +2305 @@
                 XY = copy.copy(XYZ)
                 XY[:,2] = 1
-                (a,b,d), resd, rank, sing = nl.lstsq(XY, -Z)
+                (a,b,d), resd, rank, sing = nl.lstsq(XY, -Z,rcond=-1)
                 if resid_min > resd:
                     resid_min = resd

trunk/imports/G2phase_xyz.py

@@ -52 +52 @@
         'Read a PDF file using :meth:`ReadPDBPhase`'
         self.errors = 'Error opening file'
-        fp = open(filename, 'Ur')
+        fp = open(filename, 'r')
         self.Phase = {}
         natom = int(fp.readline().strip())