From: Christoph S. <ste...@us...> - 2004-09-23 11:58:50
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test/fingerprint In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv15241/src/org/openscience/cdk/test/fingerprint Modified Files: FingerprinterTest.java Log Message: Started adding calls to notifyChanged() in all set-methods in the core classes, in order make the cdk-listener scheme work. Index: FingerprinterTest.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/fingerprint/FingerprinterTest.java,v retrieving revision 1.14 retrieving revision 1.15 diff -u -r1.14 -r1.15 --- FingerprinterTest.java 26 Mar 2004 15:20:05 -0000 1.14 +++ FingerprinterTest.java 23 Sep 2004 11:58:39 -0000 1.15 @@ -175,6 +175,22 @@ assertTrue(isSubset); } + /** This is a test for a molecule for which the computation takes forever */ + public void testBugXXX() throws java.lang.Exception + { + Molecule structure1 = null; + String filename = "data/mdl/testbugXXX.mol"; + InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename); + MDLReader reader = new MDLReader(new InputStreamReader(ins)); + structure1 = (Molecule) reader.read((ChemObject) new Molecule()); + long before = System.currentTimeMillis(); + BitSet superBS = Fingerprinter.getFingerprint(structure1); + long after = System.currentTimeMillis(); + System.out.println("time for fingerprint calculation: " + (after - before) + " milliseconds"); + System.out.println(superBS); + MoleculeViewer2D.display(structure1, false); + + } @@ -264,10 +280,11 @@ try{ FingerprinterTest fpt = new FingerprinterTest("FingerprinterTest"); fpt.standAlone = true; - fpt.testFingerprinter(); + /*fpt.testFingerprinter(); fpt.testBug706786(); fpt.testBug771485(); - fpt.testBug853254(); + fpt.testBug853254();*/ + fpt.testBugXXX(); } catch(Exception exc) { |