Changeset 1975

Timestamp:

Sep 21, 2015 4:52:57 PM (7 years ago)

Author:

toby

Message:

Address unit test problem with MoveToUnitCell?

File:

• trunk/GSASIIspc.py (modified) (2 diffs)

trunk/GSASIIspc.py

@@ -1063 +1063 @@
     :returns: XYZ - numpy array of new coordinates now 0 or greater and less than 1
     '''
-    XYZ = (xyz+10.)%1.
+    XYZ = (np.array(xyz)+10.)%1.
     cell = np.asarray(np.rint(xyz-XYZ),dtype=np.int32)
     return XYZ,cell
@@ -3077 +3077 @@
     _ReportTest()
     msg = "MoveToUnitCell failed"
-    assert (MoveToUnitCell([1,2,3]) == [0,0,0]).all, msg
-    assert (MoveToUnitCell([2,-1,-2]) == [0,0,0]).all, msg
-    assert abs(MoveToUnitCell(np.array([-.1]))[0]-0.9) < 1e-6, msg
-    assert abs(MoveToUnitCell(np.array([.1]))[0]-0.1) < 1e-6, msg
+    assert (MoveToUnitCell([1,2,3])[0] == [0,0,0]).all, msg
+    assert (MoveToUnitCell([2,-1,-2])[0] == [0,0,0]).all, msg
+    assert abs(MoveToUnitCell(np.array([-.1]))[0]-0.9)[0] < 1e-6, msg
+    assert abs(MoveToUnitCell(np.array([.1]))[0]-0.1)[0] < 1e-6, msg
 selftestlist.append(test0)