From: Stefan K. <sh...@us...> - 2003-05-21 15:01:31
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/tools In directory sc8-pr-cvs1:/tmp/cvs-serv15040 Modified Files: SaturationChecker.java Log Message: Made the exceptions the constructor can throw more specific Index: SaturationChecker.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/tools/SaturationChecker.java,v retrieving revision 1.19 retrieving revision 1.20 diff -u -r1.19 -r1.20 --- SaturationChecker.java 11 Apr 2003 14:29:57 -0000 1.19 +++ SaturationChecker.java 21 May 2003 15:01:27 -0000 1.20 @@ -53,9 +53,10 @@ /** * Constructor for the SaturationChecker object * - *@exception java.lang.Exception Description of the Exception + *@exception IOException Description of the Exception + *@exception ClassNotFoundException Description of the Exception */ - public SaturationChecker() throws java.lang.Exception + public SaturationChecker() throws IOException, ClassNotFoundException { atf = new AtomTypeFactory(); logger = new org.openscience.cdk.tools.LoggingTool(this.getClass().getName()); @@ -369,7 +370,7 @@ int missingHydrogen = (int) (defaultAtom.getMaxBondOrderSum() - container.getBondOrderSum(atom) + atom.getFormalCharge()); - if (atom.flags[CDKConstants.ISAROMATIC]) missingHydrogen--; + if (atom.flags[CDKConstants.ISAROMATIC]) missingHydrogen--; logger.debug("Atom: " + atom.getSymbol()); logger.debug(" max bond order: " + defaultAtom.getMaxBondOrderSum()); logger.debug(" bond order sum: " + container.getBondOrderSum(atom)); @@ -438,6 +439,7 @@ int missingHydrogens = calculateMissingHydrogen(atom, container); for (int i = 1; i <= missingHydrogens; i++) { Atom hydrogen = new Atom("H"); + hydrogen.setPoint2D(atom.getPoint2D()); IsotopeFactory.getInstance().configure(hydrogen, isotope); container.addAtom(hydrogen); Bond newBond = new Bond(atom, hydrogen, 1.0); |