Changeset 3801 for trunk/GSASIIlattice.py

Timestamp:

Jan 27, 2019 9:04:12 AM (4 years ago)

Author:

vondreele

Message:

combine cell2AB & Gmat2AB in G2lat
fixes to mag. str. fctr. math. Correct sym. op. transformation of moments & fix moment to cartesian axis problem

File:

• trunk/GSASIIlattice.py (modified) (1 diff)

trunk/GSASIIlattice.py

@@ -590 +590 @@
 
     """
-    cellstar = Gmat2cell(G)
+#    cellstar = Gmat2cell(G)
     g = nl.inv(G)
     cell = Gmat2cell(g)
-    A = np.zeros(shape=(3,3))
-    # from Giacovazzo (Fundamentals 2nd Ed.) p.75
-    A[0][0] = cell[0]                # a
-    A[0][1] = cell[1]*cosd(cell[5])  # b cos(gamma)
-    A[0][2] = cell[2]*cosd(cell[4])  # c cos(beta)
-    A[1][1] = cell[1]*sind(cell[5])  # b sin(gamma)
-    A[1][2] = -cell[2]*cosd(cellstar[3])*sind(cell[4]) # - c cos(alpha*) sin(beta)
-    A[2][2] = 1./cellstar[2]         # 1/c*
-    B = nl.inv(A)
-    return A,B
+#    A = np.zeros(shape=(3,3))
+    return cell2AB(cell)
+#    # from Giacovazzo (Fundamentals 2nd Ed.) p.75
+#    A[0][0] = cell[0]                # a
+#    A[0][1] = cell[1]*cosd(cell[5])  # b cos(gamma)
+#    A[0][2] = cell[2]*cosd(cell[4])  # c cos(beta)
+#    A[1][1] = cell[1]*sind(cell[5])  # b sin(gamma)
+#    A[1][2] = -cell[2]*cosd(cellstar[3])*sind(cell[4]) # - c cos(alpha*) sin(beta)
+#    A[2][2] = 1./cellstar[2]         # 1/c*
+#    B = nl.inv(A)
+#    return A,B
     
 def cell2AB(cell):