Conversion from hexagonal to orthogonal system and viceversa: created...

Conversion from hexagonal to orthogonal system and viceversa: created gtHex2Cart and moved gtCart2Hex into zUtil_Cryst folder.

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

git-svn-id: https://svn.code.sf.net/p/dct/code/trunk@969 4c865b51-4357-4376-afb4-474e03ccb993

4_grains/gtCart2Hex.m → zUtil_Cryst/gtCart2Hex.m

-function hkil = gtCart2Hex(hkl)
-% GTCART2HEX  Convert a plane normal in cartesian coordinates (hkl) 
-%     hkil = gtCart2Hex(hkl)
-%     ----------------------
+function hkil = gtCart2Hex(hkl, latticepar)
+% GTCART2HEX  Convert a plane normal in cartesian coordinates (hkl) to the four
+% indexes
+%
+%     hkil = gtCart2Hex(hkl, latticepar)
+%     ----------------------------------
 %     INPUT:
-%       hkl  = plane normal indexes
+%       hkl  = plane normal Miller indexes <double Nx3>
+%       latticepar = lattice parameters <double 1x6>
 %
 %     OUTPUT:
 %       hkil = cartesian coordinates for hexagonal materials
@@ -12,16 +15,11 @@ function hkil = gtCart2Hex(hkl)
 %       *** update version ***
 %
 %     Version 001 June-2008 by AKing
-%       Four index hexagonal coordinatesa are given
+%       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.
 
 
-load('parameters.mat')
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% cart to hex
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 hkil=zeros(size(hkl,1), 4);
 
 %change to hexagonal axes
@@ -31,27 +29,7 @@ hkil(:,3) = -(hkil(:,1)+hkil(:,2));
 hkil(:,4) = hkl(:,3);
 
 %allow for unit cell parameters
-hkil(:,1:3) = hkil(:,1:3)*(parameters.cryst.latticepar(1)*sqrt(3))/2;
-hkil(:,4)   = hkil(:,4)*parameters.cryst.latticepar(3);
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% hex to orthogonal    
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% i=1
-% hkil=[1 1 -2 1]
-% 
-% for i=1:8
-% hkl(i,1)= hkil(i,1) + 0.5 * hkil(i,2);
-% hkl(i,2)= 3^0.5/2 *hkil(i,2);
-% hkl(i,3)= hkil(i,4);
-% 
-% hkl(i,1)=hkl(i,1)*2/(sqrt(3)*parameters.cryst.latticepar(1));
-% hkl(i,2)=hkl(i,2)*2/(sqrt(3)*parameters.cryst.latticepar(1));
-% hkl(i,3)=hkl(i,3)/parameters.cryst.latticepar(3);
-% 
-% %normalise
-% tmp = sqrt(sum((hkl.*hkl),2));
-% hkl = hkl./(repmat(tmp,1,3))
-% end
+hkil(:,1:3) = hkil(:,1:3)*(latticepar(1)*sqrt(3))/2;
+hkil(:,4)   = hkil(:,4)*latticepar(3);
 
 end % end function

zUtil_Cryst/gtHex2Cart.m

+function cartesian = gtHex2Cart(hkil, latticepar)
+% GTHEX2CART  
+%     cartesian = gtHex2Cart(hkil, latticepar)
+%     ----------------------------------------
+%     Transforms from direct hexagonal to cartesian coordinates
+%     and normalise
+%
+% Same as the old function gtCrystHKL2Cart
+
+
+for i=1:size(hkil,1)
+    cartesian(i,1) = hkil(i,1) + 0.5 * hkil(i,2);
+    cartesian(i,2) = 3^0.5/2 *hkil(i,2);
+    cartesian(i,3) = hkil(i,4);
+
+    % allow lattice parameters
+    cartesian(i,1) = cartesian(i,1)*2/(sqrt(3)*latticepar(1));
+    cartesian(i,2) = cartesian(i,2)*2/(sqrt(3)*latticepar(1));
+    cartesian(i,3) = cartesian(i,3)/latticepar(3);
+end
+
+
+% normalise
+tmp = sqrt(sum((cartesian.*cartesian),2));
+cartesian = cartesian./(repmat(tmp,1,3));
+
+end