Twins: finally fixed orientation prediction also for hexagonal, in case of Cartesian axis

Signed-off-by: Nicola Vigano <nicola.vigano@esrf.fr>

zUtil_Cryst/gtCrystSignedHKLs.m

@@ -71,6 +71,10 @@ function [allshkls, allhklinds, mult, hklsp, thtype]  = gtCrystSignedHKLs(hkl, s
 
     % Loop through input hkl types
     for ii = 1:num_axes
+%         for ii_hkl = 1:num_symm_ops
+%             old_shkls(ii_hkl * 2 - 1, :) = hkl(ii, :) * symm(:, :, ii_hkl);
+%             old_shkls(ii_hkl * 2,     :) = - old_shkls(ii_hkl * 2 - 1, :);
+%         end
         % Apply all symmmetry operators to the hkl type to get signed hkl-s
         shkls = zeros(num_symm_ops * 2, num_indexes);
         tmp_shkl = hkl(ii, :) * reshape(symm, num_indexes, num_indexes * num_symm_ops);

zUtil_Twins/gtTwinOrientations.m

-function g_twins = gtTwinOrientations(R_vector, twin_angle, twin_axis, spacegroup, lp, plot_variants)
+function g_twins = gtTwinOrientations(R_vector, twin_angle, twin_axis, spacegroup, lp, axis_in_cart, plot_variants)
 % GTTWINORIENTATIONS
 %     g_twins = gtTwinOrientations(R_vector, twin_angle, twin_axis, spacegroup, lp, [plot_variants])
 %     ------------------------------------------------------------------------------------------------
@@ -20,6 +20,9 @@ function g_twins = gtTwinOrientations(R_vector, twin_angle, twin_axis, spacegrou
 %
 %     Version 002 10-01-2013 by LNervo
 
+    if (~exist('axis_in_cart', 'var') || isempty(axis_in_cart))
+        axis_in_cart = true;
+    end
     if (~exist('plot_variants', 'var') || isempty(plot_variants))
         plot_variants = false;
     end
@@ -32,6 +35,10 @@ function g_twins = gtTwinOrientations(R_vector, twin_angle, twin_axis, spacegrou
 
     % Symmetry equivalents
     symm = gtCrystGetSymmetryOperators(crystal_system, spacegroup);
+
+    if (strcmpi(crystal_system, 'hexagonal') && axis_in_cart)
+        twin_axis = gtCart2Hex(twin_axis, lp);
+    end
     [twin_axes, ~, num_axes] = gtCrystSignedHKLs(twin_axis, symm);
     num_axes_comps = size(twin_axes, 2);