Examples of org.openscience.cdk.io.SMILESReader

                  e.printStackTrace();
                }
            } else if (type.equals(JCPFileFilter.rxn)) {
                cor = new MDLRXNV2000Reader(getReader(url));
            } else if (type.equals(JCPFileFilter.smi) || type.equals("smiles")) {
                cor = new SMILESReader(getReader(url));
            }


        }
        if (cor == null) {
            throw new CDKException(GT.get("Could not determine file format"));

              okbutton.click();
              DialogFixture coordsdialog = new DialogFixture(applet.robot, applet.robot.finder().find(new DialogTitleComponentMatcher("No 2D coordinates")));
              JButtonFixture okbuttoncoordsdialog = new JButtonFixture(coordsdialog.robot, coordsdialog.robot.finder().find(new ButtonTextComponentMatcher("Yes")));
              okbuttoncoordsdialog.click();
                  ins = this.getClass().getClassLoader().getResourceAsStream(filename);
                  SMILESReader reader = new SMILESReader(ins);
                  ChemFile chemFile = (ChemFile)reader.read((ChemObject)new ChemFile());
                  Assert.assertNotNull(chemFile);
                  List<IAtomContainer> containersList = ChemFileManipulator.getAllAtomContainers(chemFile);
                  JPanelFixture jcppanel=applet.panel("appletframe");
                  JChemPaintPanel panel = (JChemPaintPanel)jcppanel.target;
                  Assert.assertEquals(containersList.size(), containersList.size());

Examples of org.openscience.cdk.io.SMILESReader

Related Classes of org.openscience.cdk.io.SMILESReader