Adapt the code to the changed output 'theta' instead of 'twotheta' of gtCalculateTwotheta

A bit of formatting for gtCalculateTwotheta and gtSymmetricReflections.

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

git-svn-id: https://svn.code.sf.net/p/dct/code/trunk@963 4c865b51-4357-4376-afb4-474e03ccb993

4_grains/gtPredictPositions_3D.m

@@ -55,9 +55,7 @@ if all(isfield(geo, FEDgeofields)) && codeflag
     omstep    = 180/acq.nproj;
 
     % given a hkl plane, calculate the interplanar distance.
-    [~,twotheta] = gtCalculateDist(hkl,parameters.cryst,parameters.acq.energy);
- 
-    Theta = twotheta/2;
+    [~,Theta] = gtCalculateDist(hkl,parameters.cryst,parameters.acq.energy);
     sinth = sind(Theta);
 
     % calc Omega angles

zUtil_Cryst/gtCalculateDist.m

-function [dsp,twotheta] = gtCalculateDist(hkl,cryst,energy)
+function [dsp,theta] = gtCalculateDist(hkl,cryst,energy)
 
-% GTCALCULATEDIST  Calculates d-spacing and twice the Bragg angle for a given hkl
-%     [dsp,twotheta] = gtCalculateDist(hkl,cryst,energy)
-%     --------------------------------------------------
+% GTCALCULATEDIST  Calculates d-spacing and the Bragg angle for a given hkl
+%     [dsp,theta] = gtCalculateDist(hkl,cryst,energy)
+%     -----------------------------------------------
 %    
 %     INPUT:
-%       hkl                    - row vector of Miller indices;
-%                                size 1x3 or 1x4 for hexagonal
-%       cryst.latticepar       - lattice parameters
-%       cryst.spacegroup       - spacegroup
-%       cryst.hermann_mauguin  - Hermann-Mauguin symbol
-%       energy                 - beam energy in keV 
+%       hkl                   = row vector of Miller indices;
+%                               size 1x3 or 1x4 for hexagonal
+%       cryst.latticepar      = lattice parameters
+%       cryst.spacegroup      = spacegroup
+%       cryst.hermann_mauguin = Hermann-Mauguin symbol
+%       energy                = beam energy in keV 
 % 
 %     OUTPUT:
-%       dsp            - d-spacing of the specified hkl family
-%       twotheta       - twice the Bragg angle of the specified hkl family
-%     
+%       dsp   = d-spacing of the specified hkl family
+%       theta = the Bragg angle of the specified hkl family
+%
+%
+%     Version 006 10-12-2012 by LNervo
+%       Changed output from twotheta to theta
+%
 %     Version 005 14-05-2012 by LNervo
 %       Remove crystal_system calculation
 %
@@ -128,7 +132,7 @@ end
 % d-spacing
 dsp = 1/(invdsp2)^0.5;
 
-% 2theta
-twotheta = 2*asind(lambda/(2*dsp));
+% theta from the Bragg's law
+theta = asind(lambda/(2*dsp));
 
 end % end of function

zUtil_Cryst/gtDetectorTwotheta.m

 function results=gtDetectorTwotheta(parameters, phaseID)
 % GTCALCULATETWOTHETA  Returns reflections and theta values on detector
-%     [twotheta,results]=gtDetectorTwotheta(parameters, phaseID)
+%     results=gtDetectorTwotheta(parameters, phaseID)
 %     ----------------------------------------------------------
 %     INPUT:
 %       parameters
@@ -44,8 +44,6 @@ disp(['Saved xop reflections:    ' num2str(size(parameters.xop(phaseID).hkl,1))]
 results=[];
 
 hkl  = gtFindFamilies(parameters,'hkl', phaseID);
-%tt   = gtFindFamilies(parameters,'twotheta', phaseID);
-%d0   = gtFindFamilies(parameters,'dspacing', phaseID);
 int  = gtFindFamilies(parameters,'int', phaseID);
 mult = gtFindFamilies(parameters,'mult', phaseID);
 
@@ -89,7 +87,7 @@ disp(['Families on the detector: ' num2str(size(hkl,1))])
 disp('Now reflections are sorted by increasing theta values')
 
 results.hkl       = hkl;
-results.theta     = tt/2;
+results.theta     = tt;
 results.dspacing  = d0;
 results.int       = int;
 results.thetatype = thtype;

zUtil_Cryst/gtSymmetricReflections.m

@@ -5,26 +5,35 @@ function results = gtSymmetricReflections(cryst,energy)
 %     ----------------------------------------------
 %
 %     INPUT:
-%       cryst.hkl              - row vector of Miller indices;
-%       cryst.crystal_system   - crystal system of lattice
-%                                size nx3 or nx4 for hexagonal
-%       cryst.latticepar       - lattice parameters
-%       cryst.spacegroup       - spacegroup
-%       cryst.hermann_mauguin  - Hermann-Mauguin symbol
-%       energy                 - beam energy in keV 
+%       cryst.hkl             = row vector of Miller indices;
+%       cryst.crystal_system  = crystal system of lattice
+%                               size nx3 or nx4 for hexagonal
+%       cryst.latticepar      = lattice parameters
+%       cryst.spacegroup      = spacegroup
+%       cryst.hermann_mauguin = Hermann-Mauguin symbol
+%       energy                = beam energy in keV 
 %
-%     MODIFICATIONS
-%      14-03-2012 by PReischig
+%     OUTPUT:
+%       results = structure with fields:
+%              .hklsp       
+%              .thetasp     
+%              .dspacingsp  
+%              .thetatypesp 
+%              .intsp       
+%              .mult        
+%
+%
+%     Version 003 14-03-2012 by PReischig
 %       Adapted to gtCalculateDist.
 %
-%      08-03-2012 by PReischig
+%     Version 002 08-03-2012 by PReischig
 %       Changed input format: separated 'parameters' into 'cryst' and
 %       'energy'.
 %
-%       27-04-2012 by A King 
+%     Version 001 27-04-2012 by AKing 
 %       recalculate multiplicities here because possible errors arising
 %       from how xop dat file is processed
-%
+
 
 hkltypes_used = cryst.hkl;
 hkltypes_used = double(hkltypes_used);
@@ -56,12 +65,12 @@ end
 
 for j = 1:size(hklsp,1)
     % calculate d-spacing and twotheta for each reflection
-    [dsp(j), twoth(j)] = gtCalculateDist(hklsp(j,:), cryst, energy);
+    [dsp(j), theta(j)] = gtCalculateDist(hklsp(j,:), cryst, energy);
 end
 
 % simpler output (should ditch the hashtable)
 results.hklsp       = hklsp;
-results.thetasp     = twoth'/2;
+results.thetasp     = theta';
 results.dspacingsp  = dsp';
 results.thetatypesp = thtype;
 results.intsp       = int;