Added a wavy bond type for unset stereobonds.

Change-Id: Ied54df213317d58d19f5e9c56b78ecbc18c16f8b Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Feb 20, 2013 · 1e67f59 · 1e67f59
1 parent 3386be2
commit 1e67f59
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Showing 4 changed files with 85 additions and 34 deletions.
diff --git a/src/main/org/openscience/cdk/renderer/elements/WedgeLineElement.java b/src/main/org/openscience/cdk/renderer/elements/WedgeLineElement.java
@@ -33,12 +33,19 @@
 @TestClass("org.openscience.cdk.renderer.elements.WedgeLineElementTest")
 public class WedgeLineElement extends LineElement {
 
-    /**
-     * If true, the wedge should be rendered as a dashed triangle.
-     */
-    public final boolean isDashed;
+	/**
+	 * If the bond is dashed ,wedged, or "up_or_down", i.e., not defined.
+	 */
+	public enum TYPE {
+		DASHED, WEDGED, INDIFF
+	}
 
-    /**
+	/**
+	 * The type of the bond (dashed, wedged, not defined).
+	 */
+	public final TYPE type;
+
+	/**
      * The direction indicates which way the wedge gets thicker.
      */
     public final Direction direction;
@@ -60,34 +67,34 @@ public enum Direction {
      * @param x2 the x-coordinate of the second point
      * @param y2 the y-coordinate of the second point
      * @param width the width of the wedge
-     * @param dashed if true, the wedge should be dashed
+     * @param type the bond is dashed ,wedged, or "up_or_down", i.e., not defined.
      * @param direction the direction of the thickness
      * @param color the color of the wedge
      */
     @TestMethod("testConstructor")
     public WedgeLineElement(double x1, double y1, double x2, double y2,
-            double width, boolean dashed, Direction direction, Color color) {
+            double width, TYPE type, Direction direction, Color color) {
         super(x1, y1, x2, y2, width, color);
-        this.isDashed = dashed;
+        this.type = type;
         this.direction = direction;
     }
 
     /**
      * Make a wedge along the given line element.
      * 
      * @param element the line element to use as the basic geometry
-     * @param dashed if true, the wedge should be dashed
+     * @param type if the bond is dashed ,wedged, or "up_or_down", i.e., not defined
      * @param direction the direction of the thickness
      * @param color the color of the wedge
      */
     @TestMethod("testConstructor_LineElement")
-    public WedgeLineElement(LineElement element, boolean dashed,
+    public WedgeLineElement(LineElement element, TYPE type,
             Direction direction, Color color) {
         this(direction == Direction.toFirst ? element.secondPointX : element.firstPointX,
              direction == Direction.toFirst ? element.secondPointY : element.firstPointY,
              direction == Direction.toFirst ? element.firstPointX : element.secondPointX,
              direction == Direction.toFirst ? element.firstPointY : element.secondPointY,
-             element.width, dashed, direction, color);
+             element.width, type, direction, color);
     }
 
     /**

diff --git a/src/main/org/openscience/cdk/renderer/generators/BasicBondGenerator.java b/src/main/org/openscience/cdk/renderer/generators/BasicBondGenerator.java
@@ -431,24 +431,28 @@ public LineElement generateInnerElement(
         return new LineElement(u.x, u.y, w.x, w.y, width, color);
     }
 
-    private IRenderingElement generateStereoElement(
-            IBond bond, RendererModel model) {
-
-        IBond.Stereo stereo = bond.getStereo();
-        boolean dashed = false;
-        Direction dir = Direction.toSecond;
-        if (stereo == IBond.Stereo.DOWN ||
-                stereo == IBond.Stereo.DOWN_INVERTED)
-            dashed = true;
-        if (stereo == IBond.Stereo.DOWN_INVERTED ||
-                stereo == IBond.Stereo.UP_INVERTED)
-            dir = Direction.toFirst;
-
-        IRenderingElement base = generateBondElement(
-                bond, IBond.Order.SINGLE, model);
-        return new WedgeLineElement(
-                (LineElement)base, dashed, dir, getColorForBond(bond, model));
-    }
+	private IRenderingElement generateStereoElement(
+			IBond bond, RendererModel model) {
+
+		IBond.Stereo stereo = bond.getStereo();
+		WedgeLineElement.TYPE type = WedgeLineElement.TYPE.WEDGED;
+		Direction dir = Direction.toSecond;
+		if (stereo == IBond.Stereo.DOWN ||
+				stereo == IBond.Stereo.DOWN_INVERTED)
+			type = WedgeLineElement.TYPE.DASHED;
+		if (stereo == IBond.Stereo.UP_OR_DOWN ||
+				stereo == IBond.Stereo.UP_OR_DOWN_INVERTED)
+			type = WedgeLineElement.TYPE.INDIFF;
+		if (stereo == IBond.Stereo.DOWN_INVERTED ||
+				stereo == IBond.Stereo.UP_INVERTED ||
+				stereo == IBond.Stereo.UP_OR_DOWN_INVERTED)
+			dir = Direction.toFirst;
+
+		IRenderingElement base = generateBondElement(
+				bond, IBond.Order.SINGLE, model);
+		return new WedgeLineElement(
+				(LineElement) base, type, dir, getColorForBond(bond, model));
+	}
 
     /**
      * Check to see if a bond is a double bond.

diff --git a/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java b/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java
@@ -235,11 +235,13 @@ private void visit(WedgeLineElement wedge) {
         vertexB.add(normal);
         vertexC.sub(normal);
         this.graphics.setColor(wedge.color);
-        if (wedge.isDashed) {
+        if (wedge.type == WedgeLineElement.TYPE.DASHED) {
             this.drawDashedWedge(vertexA, vertexB, vertexC);
-        } else {
+        } else if (wedge.type == WedgeLineElement.TYPE.WEDGED) {
             this.drawFilledWedge(vertexA, vertexB, vertexC);
-        }
+        } else if (wedge.type == WedgeLineElement.TYPE.INDIFF) {
+			this.drawIndiffWedge(vertexA, vertexB, vertexC);
+		}
     }
 
     private void drawFilledWedge(
@@ -283,6 +285,44 @@ private void drawDashedWedge(
         }
         this.graphics.setStroke(storedStroke);
     }
+
+	private void drawIndiffWedge(Point2d vertexA, Point2d vertexB, Point2d vertexC) {
+		// store the current stroke
+		Stroke storedStroke = this.graphics.getStroke();
+		this.graphics.setStroke(new BasicStroke(1, BasicStroke.CAP_ROUND, BasicStroke.JOIN_ROUND));
+
+		// calculate the distances between lines
+		double distance = vertexB.distance(vertexA);
+		double gapFactor = 0.05;
+		double gap = distance * gapFactor;
+		double numberOfDashes = distance / gap;
+		double displacement = 0;
+
+		// draw by interpolating along the edges of the triangle
+		Point2d point1 = new Point2d();
+		boolean flip = false;
+		point1.interpolate(vertexA, vertexB, displacement);
+		int[] p1T = this.transformPoint(point1.x, point1.y);
+		displacement += gapFactor;
+		for (int i = 0; i < numberOfDashes; i++) {
+			Point2d point2 = new Point2d();
+			if (flip) {
+				point2.interpolate(vertexA, vertexC, displacement);
+			} else {
+				point2.interpolate(vertexA, vertexB, displacement);
+			}
+			flip = !flip;
+			int[] p2T = this.transformPoint(point2.x, point2.y);
+			this.graphics.drawLine(p1T[0], p1T[1], p2T[0], p2T[1]);
+			if (distance * (displacement + gapFactor) >= distance) {
+				break;
+			} else {
+				p1T = p2T;
+				displacement += gapFactor;
+			}
+		}
+		this.graphics.setStroke(storedStroke);
+	}
 
     private void visit(AtomSymbolElement atomSymbol) {
         this.graphics.setFont(this.fontManager.getFont());

diff --git a/src/test/org/openscience/cdk/renderer/elements/WedgeLineElementTest.java b/src/test/org/openscience/cdk/renderer/elements/WedgeLineElementTest.java
@@ -35,7 +35,7 @@ public class WedgeLineElementTest extends AbstractElementTest {
 	@BeforeClass
 	public static void setup() {
 		IRenderingElement element = new WedgeLineElement(
-			0,0,1,1, 1.0, true,
+			0,0,1,1, 1.0, WedgeLineElement.TYPE.DASHED,
 			WedgeLineElement.Direction.toFirst,
 			Color.orange
 		);
@@ -46,7 +46,7 @@ public static void setup() {
 	public void testConstructor_LineElement() {
 		IRenderingElement element = new WedgeLineElement(
 			new LineElement(0,0,1,1, 1.0, Color.red),
-			true,
+				WedgeLineElement.TYPE.DASHED,
 			WedgeLineElement.Direction.toFirst,
 			Color.orange
 		);