Nmr 10102 show atom id when clicking on ppm plot

nmrfx-analyst-gui/src/main/java/org/nmrfx/analyst/gui/TablePlotGUI.java

@@ -23,9 +23,11 @@
 import javafx.collections.FXCollections;
 import javafx.collections.ListChangeListener;
 import javafx.collections.ObservableList;
+import javafx.scene.Node;
 import javafx.scene.Scene;
 import javafx.scene.canvas.Canvas;
 import javafx.scene.control.*;
+import javafx.scene.input.MouseEvent;
 import javafx.scene.layout.BorderPane;
 import javafx.scene.layout.VBox;
 import javafx.stage.FileChooser;
@@ -100,6 +102,9 @@
     public record ParItem(String columnName, int group, String parName, double value, double error) {
     }
 
+    public void setBottom(Node node) {
+        borderPane.setBottom(node);
+    }
     /**
      * Creates and populates a new stage for the TablePlotGUI, if not already
      * created. The stage is displayed and raised to front.
@@ -177,6 +182,7 @@
             borderPane.setCenter(chartPane);
             borderPane.setRight(null);
             stage.setScene(stageScene);
+            activeChart.getCanvas().setOnMouseClicked(this::mouseClicked);
         }
         updateAxisChoices();
         if (extraMode == ExtraMode.DIFFUSION) {
@@ -188,6 +194,8 @@
         updatePlot();
     }
 
+    public void mouseClicked(MouseEvent e) {
+    }
 
     private void toggleFitPane(CheckBox showFitBox) {
         if (showFitBox.isSelected()) {

nmrfx-analyst-gui/src/main/java/org/nmrfx/analyst/gui/molecule/PPMPlotGUI.java

@@ -1,6 +1,9 @@
 package org.nmrfx.analyst.gui.molecule;
 
+import javafx.scene.control.Label;
 import javafx.scene.control.TableView;
+import javafx.scene.control.TextField;
+import javafx.scene.input.MouseEvent;
 import org.nmrfx.analyst.gui.TablePlotGUI;
 import org.nmrfx.chart.*;
 import org.nmrfx.chemistry.Atom;
@@ -10,19 +13,23 @@
 
 public class PPMPlotGUI extends TablePlotGUI {
 
+    Label statusField = new Label();
     public PPMPlotGUI(TableView<Atom> atomTableView) {
         super(atomTableView, null, false);
         setChartTypeChoice(Arrays.asList("ScatterPlot", "BarChart", "BarChart-Euclidean"));
         skipColumns = Arrays.asList("Index", "Entity", "Res", "Atom");
+        statusField.setPrefWidth(300);
+        setBottom(statusField);
         xZeroIncluded(false);
         yZeroIncluded(false);
     }
 
-@Override
+    @Override
     protected DataSeries getBarChartData(List<TableItem> items, String yElem) {
         Map<String, String> nameMap = getNameMap();
         DataSeries series = new DataSeries();
         series.clear();
+        series.setName(yElem);
         String xElem = getXElem();
         String firstAtomType = ((Atom) items.getFirst()).getName();
         if (!items.stream().allMatch(item ->
@@ -34,9 +41,11 @@
             Double yValue = item.getDouble(nameMap.get(yElem));
             if (xValue != null && yValue != null) {
                 if (item.getGroup() != 1) {
-                    yValue /= 10.0;
+                    yValue /= 5.0;
                 }
-                series.add(new XYValue(xValue, yValue));
+                XYValue xyValue = new XYValue(xValue, yValue);
+                xyValue.setExtraValue(item);
+                series.add(xyValue);
             }
         });
         return series;
@@ -48,19 +57,26 @@
         String yElem = getYElem().getFirst();
         DataSeries series = new DataSeries();
         series.clear();
+        series.setName(yElem);
         HashMap<Integer, Double> values = new HashMap<>();
+        HashMap<Integer, TableItem> plotItems = new HashMap<>();
 
         items.forEach(item -> {
             int xValue = item.getDouble(nameMap.get(xElem)).intValue();
             Double yValue = item.getDouble(nameMap.get(yElem));
             if (yValue != null) {
                 if (item.getGroup() != 1) {
-                    yValue /= 10.0;}
+                    yValue /= 10.0;
+                }
                 values.put(xValue, values.getOrDefault(xValue, 0.0) + Math.pow(yValue, 2.0));
+                plotItems.put(xValue, item);
             }
         });
-        values.forEach((key, value) ->
-                series.add(new XYValue(key, Math.sqrt(value))));
+        values.forEach((key, value) -> {
+            XYValue xyValue = new XYValue(key, Math.sqrt(value));
+            xyValue.setExtraValue(plotItems.get(key));
+            series.add(xyValue);
+        });
         return series;
     }
 
@@ -70,16 +86,30 @@
         String xElem = getXElem();
         DataSeries series = new DataSeries();
         series.clear();
+        series.setName(yElem);
         items.forEach(item -> {
             Double ppm1 = item.getDouble(nameMap.get(xElem));
             Double ppm2 = item.getDouble(nameMap.get(yElem));
             if (ppm1 != null && ppm2 != null) {
-                series.add(new XYValue(ppm1, ppm2));
+                XYValue xyValue = new XYValue(ppm1, ppm2);
+                xyValue.setExtraValue(item);
+                series.add(xyValue);
             }
         });
         setYAxisLabel(yElem);
         return series;
     }
 
+    @Override
+    public void mouseClicked(MouseEvent e) {
+        Optional<XYCanvasChart.Hit> hitOpt = activeChart.pickChart(e.getX(), e.getY(), 5);
+        if (hitOpt.isPresent()) {
+            XYCanvasChart.Hit hit = hitOpt.get();
+            Atom atom = (Atom) hit.getValue().getExtraValue();
+            statusField.setText("HIT: " + hit + " " + atom);
+        } else {
+            statusField.setText("");
+        }
+    }
 
 }