From: Egon W. <eg...@us...> - 2003-02-25 17:26:25
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/io In directory sc8-pr-cvs1:/tmp/cvs-serv26087/src/org/openscience/cdk/io Modified Files: CMLWriter.java ChemFileCDO.java Log Message: Worked a bit on ID reading/writing Index: CMLWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/CMLWriter.java,v retrieving revision 1.17 retrieving revision 1.18 diff -u -r1.17 -r1.18 --- CMLWriter.java 23 Feb 2003 17:45:00 -0000 1.17 +++ CMLWriter.java 25 Feb 2003 17:26:18 -0000 1.18 @@ -85,7 +85,7 @@ * * @param out Writer to redirect the output to. */ - public CMLWriter(Writer out) { + public CMLWriter(Writer out) { this(out, false); } @@ -137,8 +137,8 @@ } else { logger.error("This object type is not supported."); throw new CDKException("This object type is not supported."); - } - if (!fragment) { + } + if (!fragment) { done = true; } } else {}; @@ -183,7 +183,7 @@ } private void write(SetOfMolecules som) { - logger.debug("Writing SOM"); + logger.debug("Writing SOM"); int count = som.getMoleculeCount(); logger.debug("Found " + count + " molecule(s) in set"); if (count > 1) { Index: ChemFileCDO.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/ChemFileCDO.java,v retrieving revision 1.7 retrieving revision 1.8 diff -u -r1.7 -r1.8 --- ChemFileCDO.java 21 Feb 2003 17:57:03 -0000 1.7 +++ ChemFileCDO.java 25 Feb 2003 17:26:19 -0000 1.8 @@ -51,6 +51,7 @@ private int bond_a2; private double bond_order; private int bond_stereo; + private int bond_id; private double crystal_axis_x; private double crystal_axis_y; @@ -255,6 +256,7 @@ currentAtom.setHydrogenCount(new Integer(propertyValue).intValue()); } else if (propertyType.equals("id")) { logger.debug("id" + propertyValue); + // currentAtom.setID(propertyValue); atomEnumeration.put(propertyValue, new Integer(numberOfAtoms)); } } else if (objectType.equals("Bond")) { @@ -262,6 +264,9 @@ bond_a1 = new Integer(propertyValue).intValue(); } else if (propertyType.equals("atom2")) { bond_a2 = new Integer(propertyValue).intValue(); + } else if (propertyType.equals("id")) { + logger.debug("id" + propertyValue); + bond_id = propertyValue; } else if (propertyType.equals("order")) { try { bond_order = Double.parseDouble(propertyValue); |