RascalSoftware · DrPaulSharp · Aug 5, 2025 · Aug 4, 2025
diff --git a/3rdParty/mcmcstat/runDram.m b/3rdParty/mcmcstat/runDram.m
@@ -179,7 +179,7 @@
 % predIntRef = predIntRef.predictionIntervals;
 % 
 % % Make sure the calc SLD flag is set in controls...
-% problem{2}.calcSldDuringFit = true;
+% problem{2}.calcSLD = true;
 % predIntSld = mcmcpred_compile_sld(output.results,output.chain,[],output.data,problem,500);
 % predIntSld = predIntSld.predictionIntervals;
 % 

diff --git a/3rdParty/mcmcstat/sldModel.m b/3rdParty/mcmcstat/sldModel.m
@@ -26,7 +26,7 @@
 
 problemStruct = problem{1};
 controls = problem{2};
-controls.calcSldDuringFit = true;
+controls.calcSLD = true;
 
 problemStruct.fitParams = pars;
 problemStruct = unpackParams(problemStruct);

diff --git a/API/RATMain.m b/API/RATMain.m
@@ -34,15 +34,10 @@
     results = makeEmptyResultStruct(problemStruct.numberOfContrasts, length(problemStruct.fitParams), domains);
     bayesResults = makeEmptyBayesResultsStruct(problemStruct.numberOfContrasts, domains, controls.nChains);
 
-    % Set controls.calcSLD to 1 if we are doing customXY
-    if strcmpi(problemStruct.modelType, coderEnums.modelTypes.CustomXY)
-        controls.calcSldDuringFit = true;
-    end
-
     if problemStruct.numberOfContrasts > 0
         switch controls.procedure
             case coderEnums.procedures.Calculate % Just a single reflectivity calculation
-                controls.calcSldDuringFit = true;
+                controls.calcSLD = true;
                 results = reflectivityCalculation(problemStruct,controls);
             case coderEnums.procedures.Simplex
                 if ~strcmpi(controls.display, coderEnums.displayOptions.Off)

diff --git a/API/controlsClass.m b/API/controlsClass.m
@@ -31,8 +31,6 @@
     %     How the calculation should be parallelised (This uses the Parallel Computing Toolbox). Can be 'single', 'contrasts' or 'points'.
     % procedure : procedures, default: procedures.Calculate
     %     Which procedure RAT should execute. Can be 'calculate', 'simplex', 'de', 'ns', or 'dream'.
-    % calcSldDuringFit : logical, default: false
-    %     Whether SLD will be calculated during fit (for live plotting etc.)
     % numSimulationPoints : whole number, default: 500
     %     The number of points used for a reflectivity simulation where no data is present.
     % resampleMinAngle : float, default: 0.9
@@ -94,7 +92,6 @@
 
         procedure = procedures.Calculate.value
         parallel = parallelOptions.Single.value
-        calcSldDuringFit = false
         numSimulationPoints = 500
         resampleMinAngle = 0.9
         resampleNPoints = 50
@@ -147,11 +144,6 @@
             obj.procedure = validateOption(val, 'procedures', message).value;
         end
 
-        function set.calcSldDuringFit(obj,val)
-            validateLogical(val, 'calcSldDuringFit must be logical ''true'' or ''false''');
-            obj.calcSldDuringFit = val;
-        end
-
         function set.display(obj,val)
             message = sprintf('display must be a displayOptions enum or one of the following strings (%s)', ...
                 strjoin(displayOptions.values(), ', '));
@@ -455,7 +447,6 @@
         function groups = getPropertyGroups(obj)
             masterPropList = struct('parallel', {obj.parallel},...
                 'procedure', {obj.procedure},...
-                'calcSldDuringFit', {obj.calcSldDuringFit},...
                 'display', {obj.display},...
                 'xTolerance', {obj.xTolerance},...
                 'funcTolerance', {obj.funcTolerance},...
@@ -539,15 +530,13 @@
             %
             % The parameters that can be set when using calculate procedure are
             % 1) parallel
-            % 2) calcSldDuringFit
-            % 3) numSimulationPoints
-            % 4) resampleMinAngle
-            % 5) resampleNPoints
-            % 6) display
+            % 2) numSimulationPoints
+            % 3) resampleMinAngle
+            % 4) resampleNPoints
+            % 5) display
 
             % The default values for Calculate
             defaultParallel = parallelOptions.Single.value;
-            defaultCalcSldDuringFit = false;
             defaultNumSimulationPoints = 500;
             defaultResampleMinAngle = 0.9;
             defaultResampleNPoints = 50;
@@ -557,20 +546,18 @@
             p = inputParser;
             p.PartialMatching = false;
             addParameter(p,'parallel',  defaultParallel,   @(x) isText(x) || isenum(x));
-            addParameter(p,'calcSldDuringFit',   defaultCalcSldDuringFit,    @islogical);
             addParameter(p,'numSimulationPoints', defaultNumSimulationPoints,  @isnumeric);
             addParameter(p,'resampleMinAngle', defaultResampleMinAngle,  @isnumeric);
             addParameter(p,'resampleNPoints', defaultResampleNPoints,  @isnumeric);
             addParameter(p,'display',   defaultDisplay,    @(x) isText(x) || isenum(x));
             properties = varargin{:};
 
             % Parses the input or raises invalidOption error
-            errorMsg = 'Only parallel, calcSldDuringFit, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Calculate procedure';
+            errorMsg = 'Only parallel, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Calculate procedure';
             inputBlock = obj.parseInputs(p, properties, errorMsg);
 
             % Sets the values the for Calculate parameters
             obj.parallel = inputBlock.parallel;
-            obj.calcSldDuringFit = inputBlock.calcSldDuringFit;
             obj.numSimulationPoints = inputBlock.numSimulationPoints;
             obj.resampleMinAngle = inputBlock.resampleMinAngle;
             obj.resampleNPoints = inputBlock.resampleNPoints;
@@ -590,11 +577,10 @@
             % 5) updateFreq
             % 6) updatePlotFreq
             % 7) parallel
-            % 8) calcSldDuringFit
-            % 9) numSimulationPoints
-            % 10) resampleMinAngle
-            % 11) resampleNPoints
-            % 12) display
+            % 8) numSimulationPoints
+            % 9) resampleMinAngle
+            % 10) resampleNPoints
+            % 11) display
 
             % The simplex default values
             defaultXTolerance = 1e-6;
@@ -604,7 +590,6 @@
             defaultUpdateFreq = 1;
             defaultUpdatePlotFreq = 20;
             defaultParallel = parallelOptions.Single.value;
-            defaultCalcSldDuringFit = false;
             defaultNumSimulationPoints = 500;
             defaultResampleMinAngle = 0.9;
             defaultResampleNPoints = 50;
@@ -620,15 +605,14 @@
             addParameter(p,'updateFreq',   defaultUpdateFreq,    @isnumeric);
             addParameter(p,'updatePlotFreq',   defaultUpdatePlotFreq,    @isnumeric);
             addParameter(p,'parallel',  defaultParallel,   @(x) isText(x) || isenum(x));
-            addParameter(p,'calcSldDuringFit',   defaultCalcSldDuringFit,    @islogical);
             addParameter(p,'numSimulationPoints', defaultNumSimulationPoints,  @isnumeric);
             addParameter(p,'resampleMinAngle', defaultResampleMinAngle,  @isnumeric);
             addParameter(p,'resampleNPoints', defaultResampleNPoints,  @isnumeric);
             addParameter(p,'display',   defaultDisplay,    @(x) isText(x) || isenum(x));
             properties = varargin{:};
 
             % Parses the input or raises invalidOption error
-            errorMsg = 'Only xTolerance, funcTolerance, maxFuncEvals, maxIterations, updateFreq, updatePlotFreq, parallel, calcSldDuringFit, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Simplex procedure.';
+            errorMsg = 'Only xTolerance, funcTolerance, maxFuncEvals, maxIterations, updateFreq, updatePlotFreq, parallel, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Simplex procedure.';
             inputBlock = obj.parseInputs(p, properties, errorMsg);
 
             % Sets the values the for simplex parameters
@@ -639,7 +623,6 @@
             obj.updateFreq = inputBlock.updateFreq;
             obj.updatePlotFreq = inputBlock.updatePlotFreq;
             obj.parallel = inputBlock.parallel;
-            obj.calcSldDuringFit = inputBlock.calcSldDuringFit;
             obj.numSimulationPoints = inputBlock.numSimulationPoints;
             obj.resampleMinAngle = inputBlock.resampleMinAngle;
             obj.resampleNPoints = inputBlock.resampleNPoints;
@@ -659,13 +642,12 @@
             % 5) targetValue
             % 6) numGenerations
             % 7) parallel
-            % 8) calcSldDuringFit
-            % 9) numSimulationPoints
-            % 10) resampleMinAngle
-            % 11) resampleNPoints
-            % 12) display
-            % 13) updateFreq
-            % 14) updatePlotFreq
+            % 8) numSimulationPoints
+            % 9) resampleMinAngle
+            % 10) resampleNPoints
+            % 11) display
+            % 12) updateFreq
+            % 13) updatePlotFreq
 
             % The default values for DE
             defaultPopulationSize = 20;
@@ -675,7 +657,6 @@
             defaultTargetValue = 1;
             defaultNumGenerations = 500;
             defaultParallel = parallelOptions.Single.value;
-            defaultCalcSldDuringFit = false;
             defaultNumSimulationPoints = 500;
             defaultResampleMinAngle = 0.9;
             defaultResampleNPoints = 50;
@@ -693,7 +674,6 @@
             addParameter(p,'targetValue',   defaultTargetValue,    @isnumeric);
             addParameter(p,'numGenerations',   defaultNumGenerations,    @isnumeric);
             addParameter(p,'parallel',  defaultParallel,   @(x) isText(x) || isenum(x));
-            addParameter(p,'calcSldDuringFit',   defaultCalcSldDuringFit,    @islogical);
             addParameter(p,'numSimulationPoints', defaultNumSimulationPoints,  @isnumeric);
             addParameter(p,'resampleMinAngle', defaultResampleMinAngle,  @isnumeric);
             addParameter(p,'resampleNPoints', defaultResampleNPoints,  @isnumeric);
@@ -703,7 +683,7 @@
             properties = varargin{:};
 
             % Parses the input or raises invalidOption error
-            errorMsg = 'Only populationSize, fWeight, crossoverProbability, strategy, targetValue, numGenerations, parallel, calcSldDuringFit, numSimulationPoints, resampleMinAngle, resampleNPoints, display, updateFreq, and updatePlotFreq can be set while using the Differential Evolution procedure';
+            errorMsg = 'Only populationSize, fWeight, crossoverProbability, strategy, targetValue, numGenerations, parallel, numSimulationPoints, resampleMinAngle, resampleNPoints, display, updateFreq, and updatePlotFreq can be set while using the Differential Evolution procedure';
             inputBlock = obj.parseInputs(p, properties, errorMsg);
 
             % Sets the values the for DE parameters
@@ -714,7 +694,6 @@
             obj.targetValue = inputBlock.targetValue;
             obj.numGenerations = inputBlock.numGenerations;
             obj.parallel = inputBlock.parallel;
-            obj.calcSldDuringFit = inputBlock.calcSldDuringFit;
             obj.numSimulationPoints = inputBlock.numSimulationPoints;
             obj.resampleMinAngle = inputBlock.resampleMinAngle;
             obj.resampleNPoints = inputBlock.resampleNPoints;
@@ -734,19 +713,17 @@
             % 3) propScale
             % 4) nsTolerance
             % 5) parallel
-            % 6) calcSldDuringFit
-            % 7) numSimulationPoints
-            % 8) resampleMinAngle
-            % 9) resampleNPoints
-            % 10) display
+            % 6) numSimulationPoints
+            % 7) resampleMinAngle
+            % 8) resampleNPoints
+            % 9) display
 
             % The default values for NS
             defaultnLive = 150;
             defaultnMCMC = 0;
             defaultPropScale = 0.1;
             defaultNsTolerance = 0.1;
             defaultParallel = parallelOptions.Single.value;
-            defaultCalcSldDuringFit = false;
             defaultNumSimulationPoints = 500;
             defaultResampleMinAngle = 0.9;
             defaultResampleNPoints = 50;
@@ -760,15 +737,14 @@
             addParameter(p,'propScale', defaultPropScale,  @isnumeric);
             addParameter(p,'nsTolerance',   defaultNsTolerance,    @isnumeric);
             addParameter(p,'parallel',  defaultParallel,   @(x) isText(x) || isenum(x));
-            addParameter(p,'calcSldDuringFit',   defaultCalcSldDuringFit,    @islogical);
             addParameter(p,'numSimulationPoints', defaultNumSimulationPoints,  @isnumeric);
             addParameter(p,'resampleMinAngle', defaultResampleMinAngle,  @isnumeric);
             addParameter(p,'resampleNPoints', defaultResampleNPoints,  @isnumeric);
             addParameter(p,'display',   defaultDisplay,    @(x) isText(x) || isenum(x));
             properties = varargin{:};
 
             % Parses the input or raises invalidOption error
-            errorMsg = 'Only nLive, nMCMC, propScale, nsTolerance, parallel, calcSldDuringFit, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Nested Sampler procedure';
+            errorMsg = 'Only nLive, nMCMC, propScale, nsTolerance, parallel, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the Nested Sampler procedure';
             inputBlock = obj.parseInputs(p, properties, errorMsg);
 
             % Sets the values the for NS parameters
@@ -777,7 +753,6 @@
             obj.propScale = inputBlock.propScale;
             obj.nsTolerance = inputBlock.nsTolerance;
             obj.parallel = inputBlock.parallel;
-            obj.calcSldDuringFit = inputBlock.calcSldDuringFit;
             obj.numSimulationPoints = inputBlock.numSimulationPoints;
             obj.resampleMinAngle = inputBlock.resampleMinAngle;
             obj.resampleNPoints = inputBlock.resampleNPoints;
@@ -797,11 +772,10 @@
             % 5) boundHandling
             % 6) adaptPCR
             % 7) parallel
-            % 8) calcSldDuringFit
-            % 9) numSimulationPoints
-            % 10) resampleMinAngle
-            % 11) resampleNPoints
-            % 12) display
+            % 8) numSimulationPoints
+            % 9) resampleMinAngle
+            % 10) resampleNPoints
+            % 11) display
 
             % The default values for Dream
             defaultNSamples = 50000;
@@ -811,7 +785,6 @@
             defaultBoundHandling = boundHandlingOptions.Fold.value;
             defaultAdaptPCR = false;
             defaultParallel = parallelOptions.Single.value;
-            defaultCalcSldDuringFit = false;
             defaultNumSimulationPoints = 500;
             defaultResampleMinAngle = 0.9;
             defaultResampleNPoints = 50;
@@ -827,15 +800,14 @@
             addParameter(p,'boundHandling',   defaultBoundHandling, @(x) isText(x) || isenum(x));
             addParameter(p,'adaptPCR', defaultAdaptPCR, @islogical);
             addParameter(p,'parallel',  defaultParallel,   @(x) isText(x) || isenum(x));
-            addParameter(p,'calcSldDuringFit',   defaultCalcSldDuringFit,    @islogical);
             addParameter(p,'numSimulationPoints', defaultNumSimulationPoints,  @isnumeric);
             addParameter(p,'resampleMinAngle', defaultResampleMinAngle,  @isnumeric);
             addParameter(p,'resampleNPoints', defaultResampleNPoints,  @isnumeric);
             addParameter(p,'display',   defaultDisplay,    @(x) isText(x) || isenum(x));
             properties = varargin{:};
 
             % Parses the input or raises invalidOption error
-            errorMsg = 'Only nSamples, nChains, jumpProbability, pUnitGamma, boundHandling, adaptPCR, parallel, calcSldDuringFit, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the DREAM procedure';
+            errorMsg = 'Only nSamples, nChains, jumpProbability, pUnitGamma, boundHandling, adaptPCR, parallel, numSimulationPoints, resampleMinAngle, resampleNPoints and display can be set while using the DREAM procedure';
             inputBlock = obj.parseInputs(p, properties, errorMsg);
 
             % Sets the values the for Dream parameters
@@ -846,7 +818,6 @@
             obj.boundHandling = inputBlock.boundHandling;
             obj.adaptPCR = inputBlock.adaptPCR;
             obj.parallel = inputBlock.parallel;
-            obj.calcSldDuringFit = inputBlock.calcSldDuringFit;
             obj.numSimulationPoints = inputBlock.numSimulationPoints;
             obj.resampleMinAngle = inputBlock.resampleMinAngle;
             obj.resampleNPoints = inputBlock.resampleNPoints;

diff --git a/API/parseClassToStructs.m b/API/parseClassToStructs.m
@@ -300,6 +300,7 @@
     controls.(controlsFields{i}) = inputControls.(controlsFields{i});
 end
 
+controls.calcSLD = false;
 controls.IPCFilePath = inputControls.getIPCFilePath();
 
 %% Finally, populate the fitParams and fitLimits arrays

diff --git a/compile/fullCompile/makeCompileArgsFull.m b/compile/fullCompile/makeCompileArgsFull.m
@@ -84,7 +84,6 @@
 ARGS_1_2 = struct;
 ARGS_1_2.procedure = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS_1_2.parallel = coder.typeof('X',[1 maxArraySize],[0 1]);
-ARGS_1_2.calcSldDuringFit = coder.typeof(true);
 ARGS_1_2.numSimulationPoints = coder.typeof(0);
 ARGS_1_2.resampleMinAngle = coder.typeof(0);
 ARGS_1_2.resampleNPoints = coder.typeof(0);
@@ -111,6 +110,7 @@
 ARGS_1_2.pUnitGamma = coder.typeof(0);
 ARGS_1_2.boundHandling = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS_1_2.adaptPCR = coder.typeof(true);
+ARGS_1_2.calcSLD = coder.typeof(true);
 ARGS_1_2.IPCFilePath = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS{1}{2} = coder.typeof(ARGS_1_2);
 

diff --git a/compile/reflectivityCalculation/makeCompileArgs.m b/compile/reflectivityCalculation/makeCompileArgs.m
@@ -84,7 +84,6 @@
 ARGS_1_2 = struct;
 ARGS_1_2.procedure = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS_1_2.parallel = coder.typeof('X',[1 maxArraySize],[0 1]);
-ARGS_1_2.calcSldDuringFit = coder.typeof(true);
 ARGS_1_2.numSimulationPoints = coder.typeof(0);
 ARGS_1_2.resampleMinAngle = coder.typeof(0);
 ARGS_1_2.resampleNPoints = coder.typeof(0);
@@ -111,6 +110,7 @@
 ARGS_1_2.pUnitGamma = coder.typeof(0);
 ARGS_1_2.boundHandling = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS_1_2.adaptPCR = coder.typeof(true);
+ARGS_1_2.calcSLD = coder.typeof(true);
 ARGS_1_2.IPCFilePath = coder.typeof('X',[1 maxArraySize],[0 1]);
 ARGS{1}{2} = coder.typeof(ARGS_1_2);
 

diff --git a/examples/miscellaneous/bayesBenchmark/directCompare2D.m b/examples/miscellaneous/bayesBenchmark/directCompare2D.m
@@ -24,7 +24,6 @@
 d2oproblem = r1ToProjectClass(fullfile(root, 'utilities', 'misc', 'defaultR1ProjectTemplate.mat'));
 
 controls = controlsClass();
-controls.calcSldDuringFit = true;
 controls.nsTolerance = 1;
 controls.nLive = 500;
 d2oproblem.setScalefactor(1,'fit',false);

diff --git a/examples/miscellaneous/bayesBenchmark/directCompare3D.m b/examples/miscellaneous/bayesBenchmark/directCompare3D.m
@@ -24,7 +24,6 @@
 d2oproblem = r1ToProjectClass(fullfile(root, 'utilities', 'misc', 'defaultR1ProjectTemplate.mat'));
 
 controls = controlsClass();
-controls.calcSldDuringFit = true;
 controls.nsTolerance = 1;
 controls.nLive = 500;
 

diff --git a/minimisers/DE/runDE.m b/minimisers/DE/runDE.m
@@ -79,7 +79,7 @@
     S_struct.FVr_lim_lo = FVr_lim_lo;
 
     S_struct.I_NP         = I_NP;
-    S_struct.fWeight     = fWeight;
+    S_struct.fWeight      = fWeight;
     S_struct.F_CR         = F_CR;
     S_struct.I_D          = I_D;
     S_struct.FVr_minbound = FVr_minbound;
@@ -97,7 +97,7 @@
     problemStruct.fitParams = res;
     problemStruct = unpackParams(problemStruct);
     % Ensure SLD is calculated for final result
-    controls.calcSldDuringFit = true;
+    controls.calcSLD = true;
     result = reflectivityCalculation(problemStruct,controls);
 
     if ~strcmpi(controls.display, coderEnums.displayOptions.Off)

diff --git a/minimisers/generalUtils/bayesStats/processBayes.m b/minimisers/generalUtils/bayesStats/processBayes.m
@@ -20,7 +20,7 @@
 %     The Bayesian-specific results from the optimisation.
 
 % Need to impose that we calculate the SLD
-controls.calcSldDuringFit = true;
+controls.calcSLD = true;
 
 % ... and use the Bayes best params
 problemStruct.fitParams = bayesOutputs.bestParams;