diff options
author | Christoph Helma <helma@in-silico.ch> | 2010-07-23 14:21:57 +0200 |
---|---|---|
committer | Christoph Helma <helma@in-silico.ch> | 2010-07-23 14:21:57 +0200 |
commit | 101b7144584f697b0381873fe40296020eec62b6 (patch) | |
tree | 731f6cd8860d378b5a4a64a5e2918e590732503d /public | |
parent | 5f67daad951bdf141f08f44b725a5272970d646a (diff) |
code cleanup
Diffstat (limited to 'public')
-rw-r--r-- | public/java/Structure.java | 22 |
1 files changed, 10 insertions, 12 deletions
diff --git a/public/java/Structure.java b/public/java/Structure.java index e1b229d..c46ea05 100644 --- a/public/java/Structure.java +++ b/public/java/Structure.java @@ -54,11 +54,11 @@ public class Structure{ generators.add(new RingGenerator()); generators.add(new BasicBondGenerator()); generators.add(new BasicAtomGenerator()); - //generators.add(new AtomNumberGenerator()); generators.add(new SelectBondGenerator()); generators.add(new SelectAtomGenerator()); renderer = new Renderer(generators, new AWTFontManager()); + renderer.getRenderer2DModel().set( SelectBondGenerator.SelectionBondColor.class,Color.RED); try { molecule = sp.parseSmiles(smiles); } catch (Exception ex) { ex.printStackTrace(); } @@ -74,10 +74,15 @@ public class Structure{ g2.fillRect(0, 0, size, size); layout(); + } public byte[] show() { try { + // create a fake ChemModel to make the LogicalSelection happy + selectionChemModel.setMoleculeSet(selectionMoleculeSet); + selection.select(selectionChemModel); + renderer.getRenderer2DModel().setSelection(selection); renderer.paintMoleculeSet(moleculeSet, new AWTDrawVisitor(g2), drawArea, true); ImageIO.write(image, "png", out); } @@ -104,20 +109,19 @@ public class Structure{ } public void match_activating(String[] smarts) { - Color color = Color.RED; for (int i = 0; i < smarts.length; i++) { - match(smarts[i], color); + match(smarts[i]); } } public void match_deactivating(String[] smarts) { - Color color = Color.GREEN; + renderer.getRenderer2DModel().set( SelectBondGenerator.SelectionBondColor.class,Color.GREEN); for (int i = 0; i < smarts.length; i++) { - match(smarts[i], color); + match(smarts[i]); } } - public void match(String smarts, Color color) { + public void match(String smarts) { try { SMARTSQueryTool querytool = new SMARTSQueryTool(smarts); @@ -152,12 +156,6 @@ public class Structure{ } } - // create a fake ChemModel to make the LogicalSelection happy - selectionChemModel.setMoleculeSet(selectionMoleculeSet); - selection.select(selectionChemModel); - renderer.getRenderer2DModel().setSelection(selection); - renderer.getRenderer2DModel().set( SelectBondGenerator.SelectionBondColor.class,color); - } catch (Exception exc) { exc.printStackTrace(); } |