/*
* Creates a structure PDF based on a MOL string
*/
public final void writeMOL2PDFFile(IMolecule molSource, File epsFile) throws Exception {
// creates CDK Molecule object and get the renderer
// Molecule mol = prepareMolecule(MOLString);
StructureDiagramGenerator sdg = new StructureDiagramGenerator();
sdg.setMolecule(molSource);
sdg.generateCoordinates();
IMolecule mol = sdg.getMolecule();
Java2DRenderer renderer = prepareRenderer(mol);
try {
// paint molecule to java.awt.BufferedImage
VectorGraphics vg = new PDFGraphics2D(epsFile, new Dimension(vRenderSizeX, vRenderSizeY));
Properties p = new Properties();
p.setProperty("PageSize", "A5");
vg.setProperties(p);
vg.startExport();
renderer.paintMolecule(mol, vg, new Rectangle(vRenderSizeX, vRenderSizeY));
vg.endExport();
} catch (Exception e) {
e.printStackTrace();
throw new Exception("PDF rendering of structure(s) failed");
}
}
public void paint(Graphics g) {
vg[0] = VectorGraphics.create(g);
vg[0].setCreator("FreeHEP JAVAGraphics2D");
Paint0s0.paint(vg);
} // paint
public void paintComponent(Graphics g) {
if (g != null) {
VectorGraphics vg = VectorGraphics.create(g);
Dimension dim = getSize();
Insets insets = getInsets();
vg.setColor(Color.white);
vg.fillRect(
insets.left,
insets.top,
dim.width - insets.left - insets.right,
dim.height - insets.top - insets.bottom);
int dw = dim.width / 17;
int dh = dim.height / 17;
vg.setColor(Color.black);
fontsize = dh * 2 / 3;
Font font = new Font(fontname, Font.ITALIC, fontsize);
vg.setFont(font);
StringBuffer character = new StringBuffer(" ");
int iy = dh / 2 + dh;
int ix = dw / 2 + dw;
for (int i = 0; i < 16; i++) {
vg.drawString(
label[i],
dw / 2,
iy,
VectorGraphics.TEXT_CENTER,
VectorGraphics.TEXT_CENTER,
false,
Color.cyan,
2,
false,
Color.yellow);
vg.drawString(
label[i],
ix,
dh / 2,
VectorGraphics.TEXT_CENTER,
VectorGraphics.TEXT_CENTER,
false,
Color.cyan,
2,
false,
Color.yellow);
iy += dh;
ix += dw;
}
iy = dh / 2 + dh;
ix = dw / 2;
for (int i = (int) startString.charAt(0); i <= (int) endString.charAt(0); i++) {
if (i % 16 == 0) {
iy = dh / 2 + dh;
ix += dw;
}
character.setCharAt(0, (char) i);
vg.drawString(
character.toString(),
ix,
iy,
VectorGraphics.TEXT_CENTER,
VectorGraphics.TEXT_CENTER,
false,
Color.cyan,
2,
true,
Color.yellow);
iy += dh;
}
}
}
