MolPrinter and atom maps question

How can I show atom maps when using MolPrinter? I tried using the setDispopts option but this causes the output to be in black and white without anti-aliasing.





import chemaxon.formats.MolImporter;


import chemaxon.marvin.MolPrinter;


import chemaxon.marvin.paint.DispOptConsts;


import chemaxon.struc.Molecule;





import javax.imageio.ImageIO;


import java.awt.*;


import java.awt.image.BufferedImage;


import java.io.File;


import java.io.IOException;





public class MolPrinterTest {


static BufferedImage createTestImage() throws IOException {


// Create a molecule


Molecule mol = MolImporter.importMol("[CH35][NH24].[CH33][C2]([OH6])=[O1]>>[CH35][NH4][C2]([CH33])=[O1]");


// Create a writable image


BufferedImage im = new BufferedImage(400, 400,


BufferedImage.TYPE_INT_ARGB);


Graphics2D g = im.createGraphics();


// Clear background


g.setColor(Color.white);


g.fillRect(0, 0, im.getWidth(), im.getHeight());


// Draw the bounding rectangle


g.setColor(Color.red);


Rectangle r = new Rectangle(20, 20, 360, 200);


g.draw(r);


// Paint the molecule


MolPrinter p = new MolPrinter(mol);


p.setDispopts(DispOptConsts.ATMAP_FLAG);


p.setScale(p.maxScale(r)); // fit image in the rectangle


p.paint(g, r);


return im;


}


public static void main(String[] args) throws Exception {


BufferedImage im = createTestImage();


ImageIO.write(im, "png", new File("test.png"));


}


}





Thanks,





Trevor

Instead of

Code:

p.setDispopts(DispOptConsts.ATMAP_FLAG);

write this in your code:

Code:

p.setDispopts(p.getDispopts() | DispOptConsts.ATMAP_FLAG);

It will help.

Perfect - Thanks!





Trevor