Come back to hklsp (and other sp fields) without entries for -h-k-l reflections

Signed-off-by: Wolfgang Ludwig <wolfgang.ludwig@esrf.fr>

5_reconstruction/gtSetupReconstruction.m

@@ -58,7 +58,7 @@ if exist(samplefile, 'file')
    sample = GtSample.loadFromFile(samplefile);
 else
    disp('Can not find 4_grains/sample.mat - have you run gtSetupForwardSimulation?');
-   exit;
+   return;
 end
 
 % Get reconstruction parameters

zUtil_Cryst/gtCrystHKL2Cartesian.m

@@ -31,7 +31,7 @@ function xyz = gtCrystHKL2Cartesian(hklsp, Bmat)
     % plane):
     % The [b1 b2 b3] matrix is in principal equal to the B matrix as defined in
     % Poulsen's 3DXRD book, Chapter 3, page 26.
-    xyz = Bmat * hklsp;
+    xyz = Bmat * double(hklsp);
 
     % Normalise xyz
     xyzl = sqrt(sum(xyz .* xyz, 1));

zUtil_Cryst/gtSymmetricReflections.m

@@ -41,6 +41,10 @@ function results = gtSymmetricReflections(cryst,energy)
 %       from how xop dat file is processed
 
 
+[~,crystal_system,~] = gtReadSpaceGroup(cryst.spacegroup);
+% Get symmetry operators
+symm = gtCrystGetSymmetryOperators(crystal_system, cryst.spacegroup);
+
 hkltypes_used = double(cryst.hkl);
 if size(hkltypes_used,2) > size(hkltypes_used,1)
     hkltypes_used = hkltypes_used';
@@ -61,13 +65,13 @@ mult   = [];
 
 % 4 columns needed for hexagonal
 for ii = 1:size(hkltypes_used,1)
-    allhkls_i = gtCrystSignedHKLs(hkltypes_used(ii,:));
-    nhkls     = size(allhkls_i,1);
-    hklsp     = [hklsp; allhkls_i];
+    allhkls_i = gtCrystSignedHKLs(hkltypes_used(ii,:), symm);
+    nhkls     = size(allhkls_i,1)/2;
+    hklsp     = [hklsp; allhkls_i(nhkls+1:end,:)];
     hkl       = [hkl; repmat(hkltypes_used(ii,:),nhkls,1)];
     thtype    = [thtype; repmat(ii,nhkls,1)];
     intensity = [intensity; repmat(cryst.int(ii),nhkls,1)];
-    mult      = [mult; nhkls];
+    mult      = [mult; nhkls*2];
 end
 
 Bmat = gtCrystHKL2CartesianMatrix(cryst.latticepar);