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[Cdk-commits] SF.net SVN: cdk:[14607]
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From: <gil...@us...> - 2009-06-11 12:06:57
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Revision: 14607
http://cdk.svn.sourceforge.net/cdk/?rev=14607&view=rev
Author: gilleain
Date: 2009-06-11 12:06:55 +0000 (Thu, 11 Jun 2009)
Log Message:
-----------
More general implementation of atom labelling, allowing more combinations of charge/isotope/atomnumber/implicit hydrogens.
Modified Paths:
--------------
cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/BasicAtomGenerator.java
cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java
jchempaint/trunk/src/main/org/openscience/jchempaint/RenderPanel.java
Added Paths:
-----------
cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/elements/TextGroupElement.java
cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/ExtendedAtomGenerator.java
Added: cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/elements/TextGroupElement.java
===================================================================
--- cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/elements/TextGroupElement.java (rev 0)
+++ cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/elements/TextGroupElement.java 2009-06-11 12:06:55 UTC (rev 14607)
@@ -0,0 +1,52 @@
+package org.openscience.cdk.renderer.elements;
+
+import java.awt.Color;
+import java.util.ArrayList;
+import java.util.List;
+
+public class TextGroupElement extends TextElement {
+
+ public enum Position { NW, SW, SE, NE, S, N, W, E };
+
+ public class Child {
+
+ public final String text;
+
+ public final String subscript;
+
+ public final Position position;
+
+ public Child(String text, Position position) {
+ this.text = text;
+ this.position = position;
+ this.subscript = null;
+ }
+
+ public Child(String text, String subscript, Position position) {
+ this.text = text;
+ this.position = position;
+ this.subscript = subscript;
+ }
+
+ }
+
+ public final List<Child> children;
+
+ public TextGroupElement(double x, double y, String text, Color color) {
+ super(x, y, text, color);
+ this.children = new ArrayList<Child>();
+ }
+
+ public void addChild(String text, Position position) {
+ this.children.add(new Child(text, position));
+ }
+
+ public void addChild(String text, String subscript, Position position) {
+ this.children.add(new Child(text, subscript, position));
+ }
+
+ public void accept(IRenderingVisitor v) {
+ v.visit(this);
+ }
+
+}
Modified: cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/BasicAtomGenerator.java
===================================================================
--- cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/BasicAtomGenerator.java 2009-06-10 19:09:35 UTC (rev 14606)
+++ cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/BasicAtomGenerator.java 2009-06-11 12:06:55 UTC (rev 14607)
@@ -51,38 +51,46 @@
}
return elementGroup;
}
+
+ public boolean canDraw(IAtom atom, IAtomContainer ac, RendererModel model) {
+ // don't draw atoms without coordinates
+ if (atom == null || atom.getPoint2d() == null) {
+ return false;
+ }
+ // don't draw hydrogens unless explicitly asked to
+ if (isHydrogen(atom) && !model.getShowExplicitHydrogens()) {
+ return false;
+ }
+
+ // don't draw carbons unless
+ if (isCarbon(atom) && !showCarbon(atom, ac, model)) {
+ return false;
+ }
+
+ return true;
+ }
+
protected Color getColorForAtom(IAtom atom, RendererModel model) {
return model.getAtomColor(atom, Color.BLACK);
}
public IRenderingElement generate(
IAtomContainer ac, IAtom atom, RendererModel model) {
- if (atom == null || atom.getPoint2d() == null)
- return null;
-
- if (isHydrogen(atom) && !model.getShowExplicitHydrogens()) {
- // don't draw hydrogen
- return null;
- }
-
- if (isCarbon(atom) && !showCarbon(atom, ac, model)) {
- // don't draw carbon
- return null;
- }
-
- if (model.getIsCompact()) {
+ if (!canDraw(atom, ac, model)) {
+ return null;
+ } else if (model.getIsCompact()) {
return this.generateCompactElement(atom, model);
- }
-
- int alignment = 0;
- if (isCarbon(atom)) {
- alignment = GeometryTools.getBestAlignmentForLabel(ac, atom);
} else {
- alignment = GeometryTools.getBestAlignmentForLabelXY(ac, atom);
+ int alignment = 0;
+ if (isCarbon(atom)) {
+ alignment = GeometryTools.getBestAlignmentForLabel(ac, atom);
+ } else {
+ alignment = GeometryTools.getBestAlignmentForLabelXY(ac, atom);
+ }
+
+ return generateElements(atom, alignment, model);
}
-
- return generateElements(atom, alignment, model);
}
public IRenderingElement generateCompactElement(
Added: cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/ExtendedAtomGenerator.java
===================================================================
--- cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/ExtendedAtomGenerator.java (rev 0)
+++ cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/generators/ExtendedAtomGenerator.java 2009-06-11 12:06:55 UTC (rev 14607)
@@ -0,0 +1,130 @@
+package org.openscience.cdk.renderer.generators;
+
+import java.awt.Color;
+import java.util.Stack;
+
+import javax.vecmath.Point2d;
+
+import org.openscience.cdk.interfaces.IAtom;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import org.openscience.cdk.interfaces.IPseudoAtom;
+import org.openscience.cdk.renderer.RendererModel;
+import org.openscience.cdk.renderer.elements.IRenderingElement;
+import org.openscience.cdk.renderer.elements.TextGroupElement;
+import org.openscience.cdk.renderer.elements.TextGroupElement.Position;
+
+/**
+ * A generator for atoms with mass, charge, etc.
+ *
+ * @author maclean
+ * @cdk.module render
+ *
+ */
+public class ExtendedAtomGenerator extends BasicAtomGenerator {
+
+ public IRenderingElement generate(
+ IAtomContainer ac, IAtom atom, RendererModel model) {
+
+ if (!canDraw(atom, ac, model)) {
+ return null;
+ } else if (model.getIsCompact()) {
+ return this.generateCompactElement(atom, model);
+ } else {
+ String text;
+ if (atom instanceof IPseudoAtom) {
+ text = ((IPseudoAtom) atom).getLabel();
+ } else {
+ text = atom.getSymbol();
+ }
+ Point2d p = atom.getPoint2d();
+ Color c = getColorForAtom(atom, model);
+ TextGroupElement textGroup = new TextGroupElement(p.x, p.y, text, c);
+ decorate(textGroup, ac, atom, model);
+ return textGroup;
+ }
+ }
+
+ public void decorate(TextGroupElement textGroup,
+ IAtomContainer ac,
+ IAtom atom,
+ RendererModel model) {
+ Stack<Position> unused = getUnusedPositions(ac, atom);
+
+ if (model.getDrawNumbers()) {
+ Position position = getNextPosition(unused);
+ String number = String.valueOf(ac.getAtomNumber(atom) + 1);
+ textGroup.addChild(number, position);
+ }
+
+ if (model.getShowImplicitHydrogens()) {
+ int nH = atom.getHydrogenCount();
+ if (nH > 0) {
+ Position position = getNextPosition(unused);
+ if (nH == 1) {
+ textGroup.addChild("H", position);
+ } else {
+ textGroup.addChild("H", String.valueOf(nH), position);
+ }
+ }
+ }
+ }
+
+ private Position getNextPosition(Stack<Position> unused) {
+ if (unused.size() > 0) {
+ return unused.pop();
+ } else {
+ return Position.N;
+ }
+ }
+
+ public Stack<Position> getUnusedPositions(IAtomContainer ac, IAtom atom) {
+ Stack<Position> unused = new Stack<Position>();
+ for (Position p : Position.values()) {
+ unused.add(p);
+ }
+
+ for (IAtom connectedAtom : ac.getConnectedAtomsList(atom)) {
+ Position used = getPosition(atom, connectedAtom);
+ if (unused.contains(used)) {
+ unused.remove(used);
+ }
+ }
+ return unused;
+ }
+
+ public Position getPosition(IAtom atom, IAtom connectedAtom) {
+ Point2d pA = atom.getPoint2d();
+ Point2d pB = connectedAtom.getPoint2d();
+ double dx = pB.x - pA.x;
+ double dy = pB.y - pA.y;
+
+ final double DELTA = 0.2;
+
+ if (dx < -DELTA) { // generally west
+ if (dy < -DELTA) {
+ return Position.NW;
+ } else if (dy > -DELTA && dy < DELTA) {
+ return Position.W;
+ } else {
+ return Position.SW;
+ }
+ } else if (dx > -DELTA && dx < DELTA) { // north or south
+ if (dy < -DELTA) {
+ return Position.N;
+ } else if (dy > -DELTA && dy < DELTA) { // right on top of the atom!
+ return Position.N; // XXX
+ } else {
+ return Position.S;
+ }
+ } else { // generally east
+ if (dy < -DELTA) {
+ return Position.NE;
+ } else if (dy > -DELTA && dy < DELTA) {
+ return Position.E;
+ } else {
+ return Position.SE;
+ }
+ }
+ }
+
+}
Modified: cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java
===================================================================
--- cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java 2009-06-10 19:09:35 UTC (rev 14606)
+++ cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/renderer/visitor/AWTDrawVisitor.java 2009-06-11 12:06:55 UTC (rev 14607)
@@ -23,12 +23,15 @@
import java.awt.BasicStroke;
import java.awt.Color;
+import java.awt.Font;
import java.awt.Graphics2D;
import java.awt.Point;
import java.awt.RenderingHints;
import java.awt.Stroke;
+import java.awt.font.TextAttribute;
import java.awt.geom.Rectangle2D;
import java.util.HashMap;
+import java.util.Hashtable;
import java.util.Map;
import javax.vecmath.Point2d;
@@ -44,6 +47,7 @@
import org.openscience.cdk.renderer.elements.PathElement;
import org.openscience.cdk.renderer.elements.RectangleElement;
import org.openscience.cdk.renderer.elements.TextElement;
+import org.openscience.cdk.renderer.elements.TextGroupElement;
import org.openscience.cdk.renderer.elements.WedgeLineElement;
import org.openscience.cdk.renderer.font.AWTFontManager;
import org.openscience.cdk.renderer.font.IFontManager;
@@ -69,12 +73,17 @@
private final Map<Integer, BasicStroke> strokeMap =
new HashMap<Integer, BasicStroke>();
+ private final Map<TextAttribute, Object> map =
+ new Hashtable<TextAttribute, Object>();
+
private final Graphics2D g;
public AWTDrawVisitor(Graphics2D g) {
this.g = g;
this.fontManager = null;
this.rendererModel = null;
+
+ map.put(TextAttribute.SUPERSCRIPT, TextAttribute.SUPERSCRIPT_SUB);
}
public void visitElementGroup(ElementGroup elementGroup) {
@@ -298,7 +307,84 @@
this.g.drawLine(p1[0], p1[1], p2[0], p2[1]);
}
}
+
+ public void visit(TextGroupElement textGroup) {
+ this.g.setFont(this.fontManager.getFont());
+ Point p =
+ super.getTextBasePoint(
+ textGroup.text, textGroup.x, textGroup.y, g);
+ Rectangle2D textBounds =
+ this.getTextBounds(textGroup.text, textGroup.x, textGroup.y, g);
+ this.g.setColor(this.rendererModel.getBackColor());
+ this.g.fill(textBounds);
+ this.g.setColor(textGroup.color);
+ this.g.drawString(textGroup.text, p.x, p.y);
+
+ int x = (int) textBounds.getCenterX();
+ int y = (int) textBounds.getCenterY();
+ int x1 = (int) textBounds.getMinX();
+ int y1 = (int) textBounds.getMinY();
+ int x2 = p.x + (int)textBounds.getWidth();
+ int y2 = (int) textBounds.getMaxY();
+ int oW = x2 - x1;
+ int oH = y2 - y1;
+ for (TextGroupElement.Child child : textGroup.children) {
+ int cx;
+ int cy;
+
+ switch (child.position) {
+ case NE:
+ cx = x2;
+ cy = y1;
+ break;
+ case N:
+ cx = x1;
+ cy = y1;
+ break;
+ case NW:
+ cx = x1 - oW;
+ cy = y1;
+ break;
+ case W:
+ cx = x1 - oW;
+ cy = p.y;
+ break;
+ case SW:
+ cx = x1 - oW;
+ cy = y1 + oH;
+ break;
+ case S:
+ cx = x1;
+ cy = y2 + oH;
+ break;
+ case SE:
+ cx = x2;
+ cy = y2 + oH;
+ break;
+ case E:
+ cx = x2;
+ cy = p.y;
+ break;
+ default:
+ cx = x;
+ cy = y;
+ break;
+ }
+
+ this.g.drawString(child.text, cx, cy);
+ if (child.subscript != null) {
+ Rectangle2D childBounds = getTextBounds(child.text, cx, cy, g);
+ int scx = (int)(cx + (childBounds.getWidth() * 0.75));
+ int scy = (int)(cy + (childBounds.getHeight() / 3));
+ Font f = this.g.getFont(); // TODO : move to font manager
+ Font subscriptFont = f.deriveFont(f.getStyle(), f.getSize() - 2);
+ this.g.setFont(subscriptFont);
+ this.g.drawString(child.subscript, scx, scy);
+ }
+ }
+ }
+
public void visit(IRenderingElement element) {
Color savedColor = this.g.getColor();
if (element instanceof ElementGroup)
@@ -311,6 +397,8 @@
visit((ArrowElement) element);
else if (element instanceof OvalElement)
visit((OvalElement) element);
+ else if (element instanceof TextGroupElement)
+ visit((TextGroupElement) element);
else if (element instanceof AtomSymbolElement)
visit((AtomSymbolElement) element);
else if (element instanceof TextElement)
Modified: jchempaint/trunk/src/main/org/openscience/jchempaint/RenderPanel.java
===================================================================
--- jchempaint/trunk/src/main/org/openscience/jchempaint/RenderPanel.java 2009-06-10 19:09:35 UTC (rev 14606)
+++ jchempaint/trunk/src/main/org/openscience/jchempaint/RenderPanel.java 2009-06-11 12:06:55 UTC (rev 14607)
@@ -66,6 +66,7 @@
import org.openscience.cdk.renderer.font.AWTFontManager;
import org.openscience.cdk.renderer.generators.AtomContainerBoundsGenerator;
import org.openscience.cdk.renderer.generators.BasicAtomGenerator;
+import org.openscience.cdk.renderer.generators.ExtendedAtomGenerator;
import org.openscience.cdk.renderer.generators.ExternalHighlightGenerator;
import org.openscience.cdk.renderer.generators.HighlightAtomGenerator;
import org.openscience.cdk.renderer.generators.HighlightBondGenerator;
@@ -168,7 +169,8 @@
if(debug)
generators.add(new AtomContainerBoundsGenerator());
generators.add(new RingGenerator());
- generators.add(new BasicAtomGenerator());
+// generators.add(new BasicAtomGenerator());
+ generators.add(new ExtendedAtomGenerator());
generators.add(new LonePairGenerator());
generators.add(new RadicalGenerator());
generators.add(new ExternalHighlightGenerator());
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