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Merged
DrPaulSharp merged 2 commits into from
Jun 24, 2025
Merged

Adds controls option "numSimulationPoints" #400

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6d9bd81
Adds controls option "simulationNPoints"
DrPaulSharp Jun 16, 2025
5b2ce75
Addresses review comments
DrPaulSharp Jun 24, 2025
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116 changes: 74 additions & 42 deletions API/controlsClass.m
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1 change: 1 addition & 0 deletions compile/fullCompile/makeCompileArgsFull.m
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Expand Up @@ -85,6 +85,7 @@
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);
ARGS_1_2.display = coder.typeof('X',[1 maxArraySize],[0 1]);
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1 change: 1 addition & 0 deletions compile/reflectivityCalculation/makeCompileArgs.m
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Expand Up @@ -85,6 +85,7 @@
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);
ARGS_1_2.display = coder.typeof('X',[1 maxArraySize],[0 1]);
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1 change: 1 addition & 0 deletions examples/domains/standardLayers/domainsStandardLayersScript.m
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Expand Up @@ -95,6 +95,7 @@

% Make a controls class....
controls = controlsClass();
controls.numSimulationPoints = 500;

% Send everything to RAT....
[problem,results] = RAT(problem,controls);
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15 changes: 8 additions & 7 deletions targetFunctions/+domainsTF/customLayers.m
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Expand Up @@ -19,6 +19,7 @@

calcSld = controls.calcSldDuringFit;
parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -79,8 +80,8 @@
bulkOutValues,resolutionParamValues,domainRatioValues,dataPresent(i),...
data{i},dataLimits{i},simulationLimits{i},contrastBackgroundTypes{i},...
contrastBackgroundActions{i},contrastResolutionTypes{i},...
customFiles,nParams,parallel,resampleMinAngle,resampleNPoints, ...
resample(i),geometry,subRoughs(i),calcSld,...
customFiles,nParams,parallel,numSimulationPoints,resampleMinAngle,...
resampleNPoints,resample(i),geometry,subRoughs(i),calcSld,...
contrastLayers1{i},contrastLayers2{i});

end
Expand All @@ -100,8 +101,8 @@
bulkOutValues,resolutionParamValues,domainRatioValues,dataPresent(i),...
data{i},dataLimits{i},simulationLimits{i},contrastBackgroundTypes{i},...
contrastBackgroundActions{i},contrastResolutionTypes{i},...
customFiles,nParams,parallel,resampleMinAngle,resampleNPoints,...
resample(i),geometry,subRoughs(i),calcSld,...
customFiles,nParams,parallel,numSimulationPoints,resampleMinAngle,...
resampleNPoints,resample(i),geometry,subRoughs(i),calcSld,...
contrastLayers1{i},contrastLayers2{i});

end
Expand Down Expand Up @@ -145,8 +146,8 @@
bulkInValues,bulkOutValues,resolutionParamValues,domainRatioValues,...
dataPresent,data,dataLimits,simulationLimits,backgroundType,...
backgroundAction,resolutionType,customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample,geometry,roughness,calcSld,...
contrastLayers1,contrastLayers2)
numSimulationPoints,resampleMinAngle,resampleNPoints,resample,geometry,...
roughness,calcSld,contrastLayers1,contrastLayers2)

% Get the domain ratio for this contrast
if isempty(domainRatioIndex)
Expand All @@ -163,7 +164,7 @@
qzshiftValues,scalefactorValues,bulkInValues,bulkOutValues);

% Apply scale factors and q shifts to the data
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex,...
Expand Down
12 changes: 8 additions & 4 deletions targetFunctions/+domainsTF/customXY.m
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Expand Up @@ -12,6 +12,7 @@
~, data, dataLimits, simulationLimits, ~, ~, customFiles, ~] = extractProblemParams(problemStruct);

parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -70,7 +71,8 @@
data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,subRoughs(i),slds1{i},slds2{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
subRoughs(i),slds1{i},slds2{i});

end

Expand All @@ -90,7 +92,8 @@
data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes,contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,subRoughs(i),slds1{i},slds2{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
subRoughs(i),slds1{i},slds2{i});

end

Expand Down Expand Up @@ -135,7 +138,8 @@
bulkInValues,bulkOutValues,resolutionParamValues,domainRatioValues,...
dataPresent,data,dataLimits,simulationLimits,backgroundType,...
backgroundAction,resolutionType,customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,roughness,sldProfile1,sldProfile2)
numSimulationPoints,resampleMinAngle,resampleNPoints,roughness,...
sldProfile1,sldProfile2)

% Get the domain ratio for this contrast
if isempty(domainRatioIndex)
Expand Down Expand Up @@ -165,7 +169,7 @@
resampledLayers = {layers1, layers2};
sldProfile = {sldProfile1, sldProfile2};

shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex,...
Expand Down
16 changes: 9 additions & 7 deletions targetFunctions/+domainsTF/standardLayers.m
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Expand Up @@ -20,6 +20,7 @@

calcSld = controls.calcSldDuringFit;
parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -79,8 +80,8 @@
data{i},dataLimits{i},simulationLimits{i},repeatLayers(i),...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,domainContrastLayers1{i},...
numSimulationPoints,resampleMinAngle,resampleNPoints,resample(i),...
geometry,subRoughs(i),calcSld,domainContrastLayers1{i},...
domainContrastLayers2{i},layerValues);

end
Expand All @@ -102,8 +103,8 @@
data{i},dataLimits{i},simulationLimits{i},repeatLayers(i),...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,domainContrastLayers1{i},...
numSimulationPoints,resampleMinAngle,resampleNPoints,resample(i),...
geometry,subRoughs(i),calcSld,domainContrastLayers1{i},...
domainContrastLayers2{i},layerValues);

end
Expand Down Expand Up @@ -147,8 +148,9 @@
bulkInValues,bulkOutValues,resolutionParamValues,domainRatioValues,...
dataPresent,data,dataLimits,simulationLimits,repeatLayers,...
backgroundType,backgroundAction,resolutionType,customFiles,nParams,...
parallel,resampleMinAngle,resampleNPoints,resample,geometry,roughness,...
calcSld,domainLayersIndices1,domainLayersIndices2,layerValues)
parallel,numSimulationPoints,resampleMinAngle,resampleNPoints,resample,...
geometry,roughness,calcSld,domainLayersIndices1,domainLayersIndices2,...
layerValues)

% Get the domain ratio for this contrast
if isempty(domainRatioIndex)
Expand All @@ -171,7 +173,7 @@
contrastLayers2 = allocateLayersForContrast(domainLayersIndices2,layerValues);

% Apply scale factors and q shifts to the data
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex,...
Expand Down
15 changes: 8 additions & 7 deletions targetFunctions/+normalTF/customLayers.m
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Expand Up @@ -18,6 +18,7 @@

calcSld = controls.calcSldDuringFit;
parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -58,8 +59,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,contrastLayers{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
resample(i),geometry,subRoughs(i),calcSld,contrastLayers{i});

end

Expand All @@ -79,8 +80,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,contrastLayers{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
resample(i),geometry,subRoughs(i),calcSld,contrastLayers{i});

end

Expand All @@ -104,8 +105,8 @@
backgroundParamValues,qzshiftValues,scalefactorValues,bulkInValues,...
bulkOutValues,resolutionParamValues,dataPresent,data,dataLimits,...
simulationLimits,backgroundType,backgroundAction,resolutionType,...
customFiles,nParams,parallel,resampleMinAngle,resampleNPoints,...
resample,geometry,roughness,calcSld,contrastLayers)
customFiles,nParams,parallel,numSimulationPoints,resampleMinAngle,...
resampleNPoints,resample,geometry,roughness,calcSld,contrastLayers)

% Extract the relevant parameter values for this contrast
% from the input arrays.
Expand All @@ -116,7 +117,7 @@
qzshiftValues,scalefactorValues,bulkInValues,bulkOutValues);

% Apply scale factors and q shifts to the data
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex,...
Expand Down
12 changes: 8 additions & 4 deletions targetFunctions/+normalTF/customXY.m
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Expand Up @@ -13,6 +13,7 @@
customFiles, ~] = extractProblemParams(problemStruct);

parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -52,7 +53,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,subRoughs(i),slds{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
subRoughs(i),slds{i});
end

else
Expand All @@ -70,7 +72,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,subRoughs(i),slds{i});
numSimulationPoints,resampleMinAngle,resampleNPoints,...
subRoughs(i),slds{i});

end

Expand All @@ -95,7 +98,8 @@
backgroundParams,qzshiftValues,scalefactorValues,bulkInValues,bulkOutValues,...
resolutionParamValues,dataPresent,data,dataLimits,simulationLimits,...
backgroundType,backgroundAction,resolutionType,customFiles,nParams,...
parallel,resampleMinAngle,resampleNPoints,roughness,sldProfile)
parallel,numSimulationPoints,resampleMinAngle,resampleNPoints,roughness,...
sldProfile)

% Extract the relevant parameter values for this contrast
% from the input arrays.
Expand All @@ -113,7 +117,7 @@
layers = resampledLayers;

% Apply scale factors and q shifts to the data
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex,...
Expand Down
16 changes: 9 additions & 7 deletions targetFunctions/+normalTF/standardLayers.m
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Expand Up @@ -19,6 +19,7 @@

calcSld = controls.calcSldDuringFit;
parallel = controls.parallel;
numSimulationPoints = controls.numSimulationPoints;
resampleMinAngle = controls.resampleMinAngle;
resampleNPoints = controls.resampleNPoints;

Expand Down Expand Up @@ -65,8 +66,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},repeatLayers(i),...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,contrastLayersIndices{i},layerValues);
numSimulationPoints,resampleMinAngle,resampleNPoints,resample(i),...
geometry,subRoughs(i),calcSld,contrastLayersIndices{i},layerValues);

end

Expand All @@ -86,8 +87,8 @@
dataPresent(i),data{i},dataLimits{i},simulationLimits{i},repeatLayers(i),...
contrastBackgroundTypes{i},contrastBackgroundActions{i},...
contrastResolutionTypes{i},customFiles,nParams,parallel,...
resampleMinAngle,resampleNPoints,resample(i),geometry,...
subRoughs(i),calcSld,contrastLayersIndices{i},layerValues);
numSimulationPoints,resampleMinAngle,resampleNPoints,resample(i),...
geometry,subRoughs(i),calcSld,contrastLayersIndices{i},layerValues);

end
end
Expand All @@ -110,8 +111,9 @@
backgroundParamValues,qzshiftValues,scalefactorValues,bulkInValues,...
bulkOutValues,resolutionParamValues,dataPresent,data,dataLimits,...
simulationLimits,repeatLayers,backgroundType,backgroundAction,...
resolutionType,customFiles,nParams,parallel,resampleMinAngle,resampleNPoints,...
resample,geometry,roughness,calcSld,layerIndices,layerValues)
resolutionType,customFiles,nParams,parallel,numSimulationPoints,...
resampleMinAngle,resampleNPoints,resample,geometry,roughness,calcSld,...
layerIndices,layerValues)

% Extract the relevant parameter values for this contrast
% from the input arrays.
Expand All @@ -127,7 +129,7 @@
contrastLayers = allocateLayersForContrast(layerIndices,layerValues);

% Apply scale factors and q shifts to the data
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits);
shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints);
[simulationXData, dataIndices] = makeSimulationRange(shiftedData, simulationLimits);

background = constructBackground(backgroundType,backgroundParamIndex, ...
Expand Down
8 changes: 4 additions & 4 deletions targetFunctions/common/shiftData.m
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@@ -1,4 +1,4 @@
function shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits)
function shiftedData = shiftData(scalefactor,qzshift,dataPresent,data,dataLimits,simulationLimits,numSimulationPoints)
% Shifts the data according to scale factor. If there is no data, makes
% x-data over the simulation range.
%
Expand All @@ -9,6 +9,7 @@
% * data: problemStruct.data
% * dataLimits: problemStruct.dataLimits
% * simulationLimits: problemStruct.simulationLimits
% * numSimulationPoints: controls.numSimulationPoints
%
% OUTPUTS:
% * shiftedData: Data shifted using given scale factor
Expand Down Expand Up @@ -43,12 +44,11 @@

else

simPoints = 500;
simLo = simulationLimits(1);
simHi = simulationLimits(2);
simXData = linspace(simLo,simHi,simPoints);
simXData = linspace(simLo,simHi,numSimulationPoints);
shiftedData = zeros(length(simXData), 6);
shiftedData(:, 1) = linspace(simLo,simHi,simPoints);
shiftedData(:, 1) = linspace(simLo,simHi,numSimulationPoints);

end

Expand Down
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