Fix use of gtCrystHKL2CartesianMatrix

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

git-svn-id: https://svn.code.sf.net/p/dct/code/trunk@874 4c865b51-4357-4376-afb4-474e03ccb993

zUtil_Cryst/gtCrystHKL2CartesianMatrix.m

 function [Bmat, Amat] = gtCrystHKL2CartesianMatrix(lp)
 %
-% FUNCTION  Bmat = gtCrystHKL2CartesianMatrix(lp)
+%     [Bmat, Amat] = gtCrystHKL2CartesianMatrix(lp)
+%     ---------------------------------------------
+%     Returns a 3x3 matrix that can be used for coordinate transform from 
+%     a signed HKL into a Cartesian vector in real space and for any lattice 
+%     and unit cell.
 %
-% Returns a 3x3 matrix that can be used for coordinate transform from 
-% a signed HKL into a Cartesian vector in real space and for any lattice 
-% and unit cell.
-%
-% The Cartesian (orthogonal) basis (X,Y,Z) is defined such that:
-%   - lattice vectors of the unit cell are a1, a2, a3 (not orthogonal)
-%   - X is parallel with a1
-%   - Y lies in the a1-a2 plane
-%   - Z is cross(X,Y)
+%     The Cartesian (orthogonal) basis (X,Y,Z) is defined such that:
+%       - lattice vectors of the unit cell are a1, a2, a3 (not orthogonal)
+%       - X is parallel with a1
+%       - Y lies in the a1-a2 plane
+%       - Z is cross(X,Y)
 % 
-% The definition corresponds to the one in Poulsen's 3DRXRD book, Chapter
-% 3. This function essentially computes the B matrix in the equation 
-% Gc = B*Ghkl  (used with column vectors!)
-%
-% INPUT  lp    - unit cell lattice parameters in real space 
-%                [a b c alpha beta gamma] (angles are in degrees)
+%     The definition corresponds to the one in Poulsen's 3DRXRD book, Chapter
+%     3. This function essentially computes the B matrix in the equation 
+%     Gc = B*Ghkl  (used with column vectors!)
 %
-% OUTPUT Bmat  - the transformation matrix for column vectors (!)
+%     INPUT:
+%       lp = unit cell lattice parameters in real space 
+%            [a b c alpha beta gamma] (angles are in degrees)
 %
-% mod Andy - return the A matrix too (real space) for dealing with UVW 
-% lattice directions.
+%     OUTPUT:
+%       Bmat = the transformation matrix for column vectors (!)
+%       Amat = the A matrix too (real space) for dealing with UVW 
+%              lattice directions.
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %% Lattice vectors in real space, in a Cartesian basis
@@ -42,6 +43,11 @@ z3 = sqrt(lp(3)^2 - x3^2 - y3^2);
 % Assemble 'a3'
 a3 = [x3 y3 z3];
 
+
+% Volume of spanned by 'a'-s (determinant of matrix of a-s)
+crossa2a3 = [a2(2)*a3(3)-a2(3)*a3(2); a2(3)*a3(1)-a2(1)*a3(3); a2(1)*a3(2)-a2(2)*a3(1)];
+avol = a1*crossa2a3;
+
 % for output
 Amat=[a1 a2 a3];
 
@@ -53,9 +59,7 @@ Amat=[a1 a2 a3];
 %  b2 = cross(a3,a1)/avol
 %  b3 = cross(a1,a2)/avol
 
-% Volume of spanned by 'a'-s (determinant of matrix of a-s)
-crossa2a3 = [a2(2)*a3(3)-a2(3)*a3(2); a2(3)*a3(1)-a2(1)*a3(3); a2(1)*a3(2)-a2(2)*a3(1)];
-avol = a1*crossa2a3;
+
 
 b1 = crossa2a3/avol;
 b2 = [a3(2)*a1(3)-a3(3)*a1(2); a3(3)*a1(1)-a3(1)*a1(3); a3(1)*a1(2)-a3(2)*a1(1)]/avol;

zUtil_Twins/gtTwinOrientations.m

@@ -65,7 +65,7 @@ elseif spacegroup==194 % hexagonal case
     % UVW direction)
     
     % Miller notation for directions <UVW>
-    Amat = gtCrystUVW2CartesianMatrix(lp);
+    [~,Amat] = gtCrystHKL2CartesianMatrix(lp);
     
     for ii=1:size(twin_axis, 1)
         twin_axis_cart(ii, :) = Amat*twin_axis(ii, :)';