G'day,
Following on from my previous post - my before (CDK 1.0.1) and after
(CDK 1.2.1) code for structure diagram rendering is given below.
One problem I have with the CDK 1.2.1 version is that for large
structures the text can be unreadably small, while for small structures
the text is comically large. I can't seem to find a happy medium.
Comments?
Thanks,
Chris.
----
*****
Before (CDK 1.0.1):
*****
public class MoleculeRenderer
extends JPanel
{
////////////
// CONSTANTS
////////////
/**
* Dimensions of a small structure diagram.
*/
public static final Dimension2D STRUCTURES_DIMENSIONS_SMALL = new
Dimension(150, 150);
/**
* Dimensions of a medium structure diagram.
*/
public static final Dimension STRUCTURES_DIMENSIONS_MEDIUM = new
Dimension(200, 200);
/**
* Dimensions of a large structure diagram.
*/
public static final Dimension STRUCTURES_DIMENSIONS_LARGE = new
Dimension(250, 250);
private static final Font STRUCTURES_FONT = new Font("sanserif",
Font.PLAIN, 9);
private static final String STRUCTURES_MISSING_LABEL = "[no
structure]";
private static final double STRUCTURES_SCALE = 0.85;
private static final double BOND_WIDTH = 1.0;
private static final double BOND_DISTANCE = 3.0;
/////////
// FIELDS
/////////
private IAtomContainer molecule;
private final Renderer2D renderer;
private final Renderer2DModel model;
///////////////
// CONSTRUCTORS
///////////////
/**
* Creates a new molecule renderer.
*/
public MoleculeRenderer()
{
DVLogger.fine("Create MoleculeRenderer.");
molecule = null; // initialise.
// Renderer.
model = new Renderer2DModel();
model.setBondDistance(BOND_DISTANCE);
model.setBondWidth(BOND_WIDTH);
model.setShowAromaticity(true);
model.setAtomColorer(new DaylightCOWAtomColors());
renderer = new Renderer2D(model);
setFont(STRUCTURES_FONT);
setLayout(new BorderLayout());
}
//////////
// METHODS
//////////
/**
* Draws the component's molecule. '[no molecule]' is displayed if
* the molecule is null.
*
* @param g the component's graphics context.
*/
public void paint(final Graphics g)
{
super.paint(g);
if (molecule != null)
{
// Draw structure.
model.setBackgroundDimension(getSize());
final HashMap coords = model.getRenderingCoordinates();
GeometryTools.translateAllPositive(molecule, coords);
GeometryTools.scaleMolecule(molecule,
model.getBackgroundDimension(), STRUCTURES_SCALE, coords);
GeometryTools.center(molecule,
model.getBackgroundDimension(), coords);
renderer.paintMolecule(molecule, (Graphics2D) g);
}
}
...
}
*****
After (CDK 1.2.1)
*****
public class MoleculeRenderer
extends JPanel
{
////////////
// CONSTANTS
////////////
private static final Font STRUCTURES_FONT = new Font("sanserif",
Font.PLAIN, 12);
private static final String STRUCTURES_MISSING_LABEL = "[no
structure]";
private static final double STRUCTURES_SCALE = 1.1;
private static final double BOND_WIDTH = 1.0;
private static final double BOND_DISTANCE = 3.0;
/////////
// FIELDS
/////////
private IAtomContainer molecule;
private final Java2DRenderer renderer;
private final Renderer2DModel model;
///////////////
// CONSTRUCTORS
///////////////
/**
* Creates a new molecule renderer.
*/
public MoleculeRenderer()
{
molecule = null; // initialise.
// Renderer.
model = new Renderer2DModel();
model.setBondDistance(BOND_DISTANCE);
model.setBondWidth(BOND_WIDTH);
model.setShowAromaticity(true);
model.setUseAntiAliasing(true);
model.setShowExplicitHydrogens(false);
model.setShowImplicitHydrogens(false);
model.setAtomColorer(new DaylightCOWAtomColors());
model.setZoomFactor(STRUCTURES_SCALE);
model.setFont(STRUCTURES_FONT);
renderer = new Java2DRenderer(model);
setLayout(new BorderLayout());
}
//////////
// METHODS
//////////
/**
* Draws the component's molecule. '[no molecule]' is displayed if
* the molecule is null.
*
* @param g the component's graphics context.
*/
public void paint(final Graphics g)
{
super.paint(g);
if (molecule != null)
{
renderer.paintMolecule(molecule, (Graphics2D) g, getBounds());
}
}
...
}
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