BugFix: Fix hexagonal issues.

Author: CSSFrancis

diffsims/simulations/simulation2d.py

@@ -507,7 +507,10 @@ def plot(
 
         if show_labels:
             millers = np.round(
-                np.matmul(coords.hkl, self.get_current_rotation().T)
+                np.matmul(
+                    np.matmul(coords.data, self.get_current_rotation().T),
+                    coords.phase.structure.lattice.base.T,
+                )
             ).astype(np.int16)
             # only label the points inside the axes
             xlim = ax.get_xlim()

diffsims/utils/sim_utils.py

@@ -278,7 +278,7 @@ def _get_kinematical_structure_factor(
 
     # Express the atom positions in the same reference frame as the
     # Miller indices
-    mat = np.linalg.inv(np.dot(structure.lattice.stdbase, structure.lattice.recbase))
+    mat = np.linalg.inv(np.dot(structure.lattice.stdbase, structure.lattice.recbase.T))
     xyz = np.dot(xyz, mat)
 
     # Calculate the complex structure factor