gtCalculateDist : removing lattice_system calculation

(implemented in gtSetup directly)

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

git-svn-id: https://svn.code.sf.net/p/dct/code/trunk@379 4c865b51-4357-4376-afb4-474e03ccb993

zUtil_Cryst/gtCalculateDist.m

-function [dsp,twotheta,crystal_system,lattice_system] = gtCalculateDist(hkl,cryst,energy)
+function [dsp,twotheta,crystal_system] = gtCalculateDist(hkl,cryst,energy)
 
 % GTCALCULATEDIST  Calculates d-spacing and twice the Bragg angle for a
 %     given hkl. Also gives crystal and lattice system of the spacegroup. 
-%     [dsp,twotheta,crystal_system,lattice_system] = gtCalculateDist(hkl,cryst,energy)
-%     --------------------------------------------------------------
+%     [dsp,twotheta,crystal_system] = gtCalculateDist(hkl,cryst,energy)
+%     -----------------------------------------------------------------
 %    
 %     INPUT
 %       hkl                    - row vector of Miller indices;
@@ -18,8 +18,6 @@ function [dsp,twotheta,crystal_system,lattice_system] = gtCalculateDist(hkl,crys
 %       twotheta       - twice the Bragg angle of the specified hkl family
 %       crystal_system - crystallographic crystal system of the specified
 %                        spacegroup
-%       lattice_system - crystallographic lattice system of the specified
-%                        spacegroup
 %     
 %     Version 004 14-03-2012 by PReischig
 %       Addition of lattice system as output; formatting.
@@ -37,8 +35,10 @@ function [dsp,twotheta,crystal_system,lattice_system] = gtCalculateDist(hkl,crys
 %[use]- gtConvEnergyToWavelength
 
 if ~exist('hkl','var') || isempty(hkl)
-    hkl = [0 0 0];
-    disp('Verifying only the crystal and lattice systems.')
+    hkl = input('Insert the Miller indeces as row vector: ');
+end
+if ~exist('energy','var') || isempty(energy)
+    energy = input('Insert the beam energy in keV: ');
 end
 
 latticepar = cryst.latticepar;
@@ -70,8 +70,7 @@ end
 % Spacegroups
 
 if between(spacegroup,1,2)
-    crystal = 'triclinic';
-    lattice = 'triclinic'; % a ~= b ~= c;  alpha ~= beta ~= gamma ~= 90
+    crystal = 'triclinic'; % a ~= b ~= c;  alpha ~= beta ~= gamma ~= 90
     
     Y = h^2/a^2*(sind(alpha))^2 + k^2/b^2*(sind(beta))^2 + l^2/c^2*(sind(gamma))^2;
     Z = 2*k*l/b/c*(cosd(beta) *cosd(gamma) - cosd(alpha)) + ...
@@ -83,23 +82,20 @@ if between(spacegroup,1,2)
 end
 
 if between(spacegroup,3,15)
-    crystal = 'monoclinic'; 
-    lattice = 'monoclinic'; % a ~= b ~= c;  alpha = gamma = 90 ~= beta
+    crystal = 'monoclinic'; % a ~= b ~= c;  alpha = gamma = 90 ~= beta
     
     invdsp2 = h^2/(a*sind(beta))^2 + k^2/b^2 + l^2/(c*sind(beta))^2 - ...
               (2*h*l*cosd(beta)) / (a*c*(sind(beta))^2);
 end
 
 if between(spacegroup,16,74)
-    crystal = 'orthorhombic';
-    lattice = 'orthorhombic'; % a ~= b ~= c;  alpha = beta = gamma = 90
+    crystal = 'orthorhombic'; % a ~= b ~= c;  alpha = beta = gamma = 90
     
     invdsp2 = h^2/a^2 + k^2/b^2 + l^2/c^2;
 end
 
 if between(spacegroup,75,142)
-    crystal = 'tetragonal';
-    lattice = 'tetragonal'; % a = b ~= c;  alpha = beta = gamma = 90
+    crystal = 'tetragonal'; % a = b ~= c;  alpha = beta = gamma = 90
  
     invdsp2=(h^2+k^2)/a^2+l^2/c^2;
 end
@@ -108,12 +104,12 @@ if between(spacegroup,143,167)
     crystal = 'trigonal';
     
     if ~isempty(strfind(hermann,'P')) % hexagonal lattice 
-        lattice = 'hexagonal'; % a1 = a2 = a3 ~= c;  alpha = beta = 90; gamma = 120
+        % a1 = a2 = a3 ~= c;  alpha = beta = 90; gamma = 120
         
         invdsp2 = 4/(3*a^2) * (h^2 + k^2 + h*k) + l^2/c^2;
     
     elseif ~isempty(strfind(hermann,'R')) % rhombohedral lattice
-        lattice = 'rhombohedral'; % a = b = c;  alpha = beta = gamma ~= 90
+        % a = b = c;  alpha = beta = gamma ~= 90
         
         Y1 = h^2 + k^2 + h*k;
         Y2 = 2*(h*k + h*l + k*l);
@@ -126,15 +122,13 @@ if between(spacegroup,143,167)
 end
 
 if between(spacegroup,168,194) || spacegroup==663 % snow case
-    crystal = 'hexagonal'; 
-    lattice = 'hexagonal'; % a1 = a2 = a3 ~= c;  alpha = beta = 90; gamma = 120
+    crystal = 'hexagonal'; % a1 = a2 = a3 ~= c;  alpha = beta = 90; gamma = 120
     
     invdsp2 = 4/(3*a^2)*(h^2 + k^2 + h*k) + l^2/c^2;
 end
 
 if between(spacegroup,195,230)
-    crystal = 'cubic'; 
-    lattice = 'cubic'; % a = b = c;  alpha = beta = gamma = 90
+    crystal = 'cubic'; % a = b = c;  alpha = beta = gamma = 90
     
     invdsp2 = (h^2+k^2+l^2)/a^2;
 end
@@ -147,7 +141,5 @@ dsp = 1/(invdsp2)^0.5;
 twotheta = 2*asind(lambda/(2*dsp));
 
 crystal_system = crystal;
-lattice_system = lattice;
-
 
 end % end of function