gtHex2Cart / gtCart2Hex : added option to change convention for hexagonal materials

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

zUtil_Cryst/gtCart2Hex.m

-function hkil = gtCart2Hex(hkl, latticepar)
-% GTCART2HEX  Convert a plane normal in cartesian coordinates (hkl) to the four
-% indexes
+function hkil = gtCart2Hex(uvw, latticepar, convention)
+% GTCART2HEX  Converts a plane normal in cartesian coordinates (uvw) to the
+%             Miller-Bravais indexes in the direct space (hkil)
+%
+%     hkil = gtCart2Hex(uvw, latticepar, convention)
+%     ----------------------------------------------
+%     It follows the X-convention using right handed CS.
+%     From (uvw) direction in cartesian space to (hkil) plane normal in hexagonal real space 
 %
-%     hkil = gtCart2Hex(hkl, latticepar)
-%     ----------------------------------
 %     INPUT:
-%       hkl  = plane normal Miller indexes <double Nx3>
-%       latticepar = lattice parameters <double 1x6>
+%       uvw        = <double>   plane normal in cartesian coordinates (N,3)
+%       latticepar = <double>   lattice parameters (row vector 1,6)
+%       convention = <string>   hexagonal unit cell convention {'X'}/'Y'
 %
 %     OUTPUT:
-%       hkil = cartesian coordinates for hexagonal materials
-%
-%     Version 002 25-11-2011 by LNervo
-%       *** update version ***
+%       hkil       = <double>   plane normal in hexagonal direct space described by 
+%                               Miller-Bravais indexes (N,4)
 %
-%     Version 001 June-2008 by AKing
-%       Four index hexagonal coordinates are given!
-%       reverse of the formulae implemented by Sabine in gtForwardSimulate_360
-%       the output {hkil} is not normalised in any way.
+%     Version 002 25-10-2013 by LNervo
+
+
+if ~exist('convention','var') || isempty(convention)
+    convention = 'X';
+end
 
+if strcmp(convention, 'X')
+% rotates counterclockwise
+    uvw = rotateVectors(uvw,'angle',30,'axis',[0 0 1]);
+end
 
-hkil=zeros(size(hkl,1), 4);
+hkil = zeros(size(uvw,1), 4);
 
-%change to hexagonal axes
-hkil(:,1) = hkl(:,1) - (hkl(:,2)/sqrt(3));
-hkil(:,2) = hkl(:,2)*2/sqrt(3);
-hkil(:,3) = -(hkil(:,1)+hkil(:,2));
-hkil(:,4) = hkl(:,3);
+% change to hexagonal axes
+hkil(:,1) = uvw(:,1)*sqrt(3)/2 - uvw(:,2)/2;
+hkil(:,2) = uvw(:,2);
+hkil(:,3) = -(hkil(:,1) + hkil(:,2));
+hkil(:,4) = uvw(:,3);
 
-%allow for unit cell parameters
-hkil(:,1:3) = hkil(:,1:3)*(latticepar(1)*sqrt(3))/2;
+% allow for unit cell parameters
+hkil(:,1:3) = hkil(:,1:3)*latticepar(1);
 hkil(:,4)   = hkil(:,4)*latticepar(3);
 
-end % end function
+end % end of function

zUtil_Cryst/gtHex2Cart.m

-function normalised_hkls = gtHex2Cart(all_hkils, latticepar)
-% GTHEX2CART  
-%     normalised_hkls = gtHex2Cart(all_hkils, latticepar)
-%     ---------------------------------------------------
-%     Transforms from direct hexagonal to cartesian coordinates
-%     and normalise
+function uvw = gtHex2Cart(hkil, latticepar, convention)
+% GTHEX2CART  Converts a plane normal in direct hexagonal space described by 
+%             Miller-Bravais indexes (hkil) to the cartesian coordinates in the 
+%             real space (uvw) normalising it
+%     uvw = gtHex2Cart(hkil, latticepar, convention)
+%     ----------------------------------------------
+%     It follows the X-convention using right handed CS
+%     From (hkil) plane normal in real space to (uvw) direction in cartesian space
 %
-% Same as the old function gtCrystHKL2Cart
+%     INPUT:
+%       hkil       = <double>   Miller-Bravais indexes (N,4)
+%       latticepar = <double>   Lattice parameters (1,6)
+%       convention = <string>   hexagonal unit cell convention {'X'}/'Y'
+%
+%     OUTPUT:
+%       uvw        = <double>   Direction of plane normal in the cartesian
+%                               normalised space (N,3)
+%
+%     Version 002 25-10-2013 by LNervo
 
 
+if ~exist('convention','var') || isempty(convention)
+    convention = 'X';
+end
+
 % going to cartesian reciprocal space + normalisation of the cartesian
 % space
-all_hkls(:, 1) = all_hkils(:, 1) + 0.5 * all_hkils(:, 2);
-all_hkls(:, 2) = sqrt(3)/2 * all_hkils(:, 2);
-all_hkls(:, 3) = all_hkils(:, 4);
+uvw(:,1) = hkil(:,1)*2/sqrt(3) + hkil(:,2)/sqrt(3);
+uvw(:,2) = hkil(:,2);
+uvw(:,3) = hkil(:,4);
 
-all_hkls(:, 1) = all_hkls(:, 1)*2/(sqrt(3)*latticepar(1));
-all_hkls(:, 2) = all_hkls(:, 2)*2/(sqrt(3)*latticepar(1));
-all_hkls(:, 3) = all_hkls(:, 3)/latticepar(3);
+%scale with unit cell parameters
+uvw(:,1) = uvw(:,1)/latticepar(1);
+uvw(:,2) = uvw(:,2)/latticepar(1);
+uvw(:,3) = uvw(:,3)/latticepar(3);
 
 % normalise hkls vector
-tmp = sqrt(sum((all_hkls.*all_hkls),2));
-normalised_hkls = all_hkls./(repmat(tmp,1,3));
+tmp = sqrt(sum((uvw.*uvw),2));
+uvw = uvw./(repmat(tmp,1,3));
 
+if strcmp(convention, 'X')
+% rotates counterclockwise
+    uvw = rotateVectors(uvw,'angle',30,'axis',[0 0 1]);
 end
+
+end % end of function