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Merge pull request #1997 from lorenzgerber/pca_highlighting
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PCA, flexible highlight selection scoreplot, samplelist
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@eselmeister
eselmeister authored Dec 10, 2024
2 parents a4820ef + 7d1ae41 commit 80c68d7
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Showing 2 changed files with 126 additions and 22 deletions.
30 changes: 15 additions & 15 deletions ...a.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedLoadingsPlot.java
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Original file line number Diff line number Diff line change
Expand Up @@ -275,10 +275,10 @@ public void handleEvent(BaseChart baseChart, Event event) {
/*
* Get all currently selected features
*/
List<Feature> selected = new ArrayList<>();
List<Feature> highlighted = new ArrayList<>();
for(Feature feature : evaluationPCA.getFeatureDataMatrix().getFeatures()) {
if(evaluationPCA.getHighlightedVariables().contains(feature.getVariable())) {
selected.add(feature);
highlighted.add(feature);
}
}
/*
Expand All @@ -288,19 +288,19 @@ public void handleEvent(BaseChart baseChart, Event event) {
double[] variableLoading = getVariableLoading(resultsPCA, i);
IPoint pointResult = getPoint(variableLoading, pcX, pcY, i);
if(pointResult.getX() > pXStart && pointResult.getX() < pXStop && pointResult.getY() < pYStart && pointResult.getY() > pYStop) {
if(selected.contains(featuresSelected.get(i))) {
int index = selected.indexOf(featuresSelected.get(i));
selected.remove(index);
if(highlighted.contains(featuresSelected.get(i))) {
int index = highlighted.indexOf(featuresSelected.get(i));
highlighted.remove(index);
} else {
selected.add(featuresSelected.get(i));
highlighted.add(featuresSelected.get(i));
}
}
}
/*
* Get the closest result.
*/
if(!selected.isEmpty()) {
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_PLOT_VARIABLE, selected.toArray());
if(!highlighted.isEmpty()) {
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_PLOT_VARIABLE, highlighted.toArray());
}
/*
* Finish User Selection Process
Expand Down Expand Up @@ -464,10 +464,10 @@ public void handleEvent(BaseChart baseChart, Event event) {
/*
* Get all currently selected features
*/
List<Feature> selected = new ArrayList<>();
List<Feature> highlighted = new ArrayList<>();
for(Feature feature : evaluationPCA.getFeatureDataMatrix().getFeatures()) {
if(evaluationPCA.getHighlightedVariables().contains(feature.getVariable())) {
selected.add(feature);
highlighted.add(feature);
}
}
/*
Expand All @@ -476,13 +476,13 @@ public void handleEvent(BaseChart baseChart, Event event) {
if(!featureDeltas.isEmpty()) {
Collections.sort(featureDeltas, Comparator.comparing(FeatureDelta::getDistance));
FeatureDelta featureDelta = featureDeltas.get(0);
if(selected.contains(featureDelta.getFeature())) {
int index = selected.indexOf(featureDelta.getFeature());
selected.remove(index);
if(highlighted.contains(featureDelta.getFeature())) {
int index = highlighted.indexOf(featureDelta.getFeature());
highlighted.remove(index);
} else {
selected.add(featureDelta.getFeature());
highlighted.add(featureDelta.getFeature());
}
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_PLOT_VARIABLE, selected.toArray());
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_PLOT_VARIABLE, highlighted.toArray());
highlightClick = true;
}
userSelection.reset();
Expand Down
118 changes: 111 additions & 7 deletions ...ca.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedScorePlot2D.java
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Original file line number Diff line number Diff line change
Expand Up @@ -233,7 +233,7 @@ public int getStateMask() {
@Override
public void handleEvent(BaseChart baseChart, Event event) {

if(evaluationPCA != null) {
if(evaluationPCA != null && isBoxSelection()) {
/*
* Prepare Data viewport
*/
Expand Down Expand Up @@ -273,24 +273,28 @@ public void handleEvent(BaseChart baseChart, Event event) {
int pcX = principalComponentUI.getPCX();
int pcY = principalComponentUI.getPCY();
IResultsPCA<? extends IResultPCA, ? extends IVariable> resultsPCA = evaluationPCA.getResults();
List<ISample> sampleSelected = new ArrayList<>();
List<ISample> samplesHighlighted = evaluationPCA.getHighlightedSamples();
List<? extends IResultPCA> resultList = resultsPCA.getPcaResultList();
/*
* get samples within selection
* get samples within box selection
*/
for(int i = 0; i < resultList.size(); i++) {
IResultPCA pcaResult = resultList.get(i);
IPoint pointResult = getPoint(pcaResult, pcX, pcY, i);
if(pointResult.getX() > pXStart && pointResult.getX() < pXStop && pointResult.getY() < pYStart && pointResult.getY() > pYStop) {
sampleSelected.add(resultList.get(i).getSample());
if(samplesHighlighted.contains(resultList.get(i).getSample())) {
samplesHighlighted.remove(samplesHighlighted.indexOf(resultList.get(i).getSample()));
} else {
samplesHighlighted.add(resultList.get(i).getSample());
}
}
}
/*
* Send Update event.
*/
if(!sampleSelected.isEmpty()) {
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_RESULT, sampleSelected.toArray());
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_SAMPLE, sampleSelected.toArray());
if(!samplesHighlighted.isEmpty()) {
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_RESULT, samplesHighlighted.toArray());
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_SAMPLE, samplesHighlighted.toArray());
}
/*
* Finish User Selection Process
Expand Down Expand Up @@ -381,6 +385,98 @@ public void handleEvent(BaseChart baseChart, Event event) {
}
});
scorePlot.applySettings(chartSettings);
chartSettings.addHandledEventProcessor(new IHandledEventProcessor() {

@Override
public int getEvent() {

return IMouseSupport.EVENT_MOUSE_DOUBLE_CLICK;
}

@Override
public int getButton() {

return IMouseSupport.MOUSE_BUTTON_LEFT;
}

@Override
public int getStateMask() {

return SWT.MOD1;
}

@Override
public void handleEvent(BaseChart baseChart, Event event) {

if(evaluationPCA != null) {
/*
* Determine the x|y coordinates.
*/
Rectangle rectangle = baseChart.getPlotArea().getBounds();
double x = event.x;
double y = event.y;
double width = rectangle.width;
double height = rectangle.height;
/*
* Calculate the selected point.
*/
Range rangeX = baseChart.getAxisSet().getXAxis(BaseChart.ID_PRIMARY_X_AXIS).getRange();
Range rangeY = baseChart.getAxisSet().getYAxis(BaseChart.ID_PRIMARY_Y_AXIS).getRange();
/*
* Map the result deltas.
*/
PrincipalComponentUI principalComponentUI = principalComponentControl.get();
int pcX = principalComponentUI.getPCX();
int pcY = principalComponentUI.getPCY();
IResultsPCA<? extends IResultPCA, ? extends IVariable> resultsPCA = evaluationPCA.getResults();
List<? extends IResultPCA> resultList = resultsPCA.getPcaResultList();
List<ResultDelta> resultDeltas = new ArrayList<>();
/*
* prepare result object with score vectors per variable
*/
for(int i = 0; i < resultsPCA.getPcaResultList().size(); i++) {
IPoint pointResult = getPoint(resultList.get(i), pcX, pcY, i);
if(pointResult.getX() > rangeX.lower && pointResult.getX() < rangeX.upper && pointResult.getY() > rangeY.lower && pointResult.getY() < rangeY.upper) {
double deltaX = 0;
double deltaY = 0;
if(rangeX.upper < 0 || rangeX.lower > 0) {
deltaX = Math.abs(1.00 / Math.abs((Math.abs(rangeX.upper) - Math.abs(rangeX.lower))) * (pointResult.getX() - rangeX.lower) * width - x);
} else {
deltaX = Math.abs(1.00 / (rangeX.upper - rangeX.lower) * (pointResult.getX() - rangeX.lower) * width - x);
}
if(rangeY.upper < 0 || rangeY.lower > 0) {
deltaY = Math.abs(1.00 / Math.abs((Math.abs(rangeY.upper) - Math.abs(rangeY.lower))) * (pointResult.getY() - rangeY.lower) * height - (height - y));
} else {
deltaY = Math.abs(1.00 / (rangeY.upper - rangeY.lower) * (pointResult.getY() - rangeY.lower) * height - (height - y));
}
resultDeltas.add(new ResultDelta(resultList.get(i), deltaX, deltaY));
}
}
/*
* Get all currently selected Samples
*/
List<ISample> highlightedSamples = evaluationPCA.getHighlightedSamples();
/*
* Get the closest result.
*/
if(!resultDeltas.isEmpty()) {
Collections.sort(resultDeltas, Comparator.comparing(ResultDelta::getDistance));
ResultDelta resultDelta = resultDeltas.get(0);
if(highlightedSamples.contains(resultDelta.getResultPCA().getSample())) {
int index = highlightedSamples.indexOf(resultDelta.getResultPCA().getSample());
highlightedSamples.remove(index);
} else {
highlightedSamples.add(resultDelta.getResultPCA().getSample());
}
// List<ISample> highlightedSamples = new ArrayList<>();
// highlightedSamples.add(resultDelta.getResultPCA().getSample());
UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_HIGHLIGHT_SAMPLE, highlightedSamples.toArray());
}
}
userSelection.reset();
}
});
scorePlot.applySettings(chartSettings);
/*
* Paint Listener
*/
Expand Down Expand Up @@ -499,4 +595,12 @@ private void updatePlot(int pcX, int pcY) {
scorePlot.setInput(null, pcX, pcY);
}
}

private boolean isBoxSelection() {

if(userSelection.getStartX() != 0 && userSelection.getStartY() != 0 && userSelection.getStopX() != 0 && userSelection.getStopY() != 0) {
return true;
}
return false;
}
}

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