gtCrystSignedHKLs : given input 'symm' if needed; sorted hkls according to h > k > l

Signed-off-by: Laura Nervo <laura.nervo@esrf.fr>

zUtil_Cryst/gtCrystSignedHKLs.m

-function [allshkls, allhklinds, mult]  = gtCrystSignedHKLs(hkl,spacegroup)
+function [allshkls, allhklinds, mult]  = gtCrystSignedHKLs(hkl, symm)
 % GTCRYSTSIGNEDHKLS  Gives a complete list of signed hkl planes, by
 %     applying symmetry operators of the specified spacegroup to the input
 %     list of plane families.
@@ -6,20 +6,21 @@ function [allshkls, allhklinds, mult]  = gtCrystSignedHKLs(hkl,spacegroup)
 %     'lattice_system' and 'crystal_system' instead of spacegroups should
 %     be considered.
 %
-%     [allshkls, allhklinds, mult] = gtCrystSignedHKLs(hkl,spacegroup)
-%     ----------------------------------------------------------------
+%     [allshkls, allhklinds, mult] = gtCrystSignedHKLs(hkl,symm)
+%     ----------------------------------------------------------
 %
 %     INPUT:
-%       hkl        = plane families (one in a row)
-%                    nx3,class double for cubic lattices 
-%                    nx4,class double for hexagonal lattices
-%       spacegroup = space group
+%       hkl        = <double>     plane families (one in a column)
+%                                 (3,n) for cubic lattices 
+%                                 (4,n) for hexagonal lattices
+%       symm       = <struct>     structure containing .g3/.g with symmetry
+%                                 operators
 %
 %     OUTPUT:
-%       allshkls   = complete list of signed hkl planes
-%                    (including Friedel pairs)
-%       allhklinds = indices in allshkls according to input hkl 
-%       mult       = multiplicity of hkl families
+%       allshkls   =              complete list of signed hkl planes
+%                                 (including Friedel pairs)
+%       allhklinds =              indices in allshkls according to input hkl 
+%       mult       = <int8>       multiplicity of hkl families (1,k)
 %
 %     Version 002 10-07-2013 by LNervo
 %       Added check of class for hkl list
@@ -28,15 +29,26 @@ function [allshkls, allhklinds, mult]  = gtCrystSignedHKLs(hkl,spacegroup)
 if ~isa(hkl,'double')
     hkl = double(hkl);
 end
+% reflections in rows
+hkl = hkl';
+
+if ~exist('symm','var') || isempty(symm)
+    load parameters
+    spacegroup = parameters.cryst.spacegroup;
+    [~,crystal_system,~] = gtReadSpaceGroup(spacegroup);
+    % Get symmetry operators
+    symm = gtCrystGetSymmetryOperators(crystal_system, spacegroup);
+
+end
 
-% Get symmetry operators
-symm = gtCrystGetSymmetryOperators([], spacegroup);
 if size(hkl,2) == 4
     symm = {symm.g};
 elseif size(hkl,2) == 3
     symm = {symm.g3};
 end
 
+ncols = size(hkl,2);
+
 allshkls   = [];
 allhklinds = [];
 
@@ -51,8 +63,11 @@ for ii = 1:size(hkl,1)
 	    	shkls(2*jj,:)   = -shkls(2*jj-1,:);  % Friedel pair of previous one
     end
 
-	% Remove duplicates and add to the complete list
+	  % Remove duplicates and add to the complete list
     newshkls = unique(shkls, 'rows');
+    % sort according to h > k > l
+    newshkls = sortrows(newshkls, [-1 -2 -ncols]);
+    
 	  allshkls = [allshkls; newshkls];
     
     mult(ii,1)  = size(newshkls,1);