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[Cdk-commits] CVS: cdk/src/org/openscience/cdk/io CMLReader.java,1.42,1.43 CMLWriter.java,1.80,1.81 ChemicalRSSReader.java,1.24,1.25 CrystClustReader.java,1.18,1.19 Gaussian03Reader.java,1.27,1.28 Gaussian98Reader.java,1.33,1.34 HINWriter.java,1.18,1.19 IChIReader.java,1.31,1.32 INChIPlainTextReader.java,1.12,1.13 MACiEReader.java,1.45,1.46 MDLRXNReader.java,1.32,1.33 MDLRXNV3000Reader.java,1.24,1.25 MDLRXNWriter.java,1.9,1.10 MDLReader.java,1.89,1.90 MDLV3000Reader.java,1.27,1.28 MDLWriter.java,1.70,1.71 Mol2Reader.java,1.23,1.24 PDBWriter.java,1.25,1.26 ShelXReader.java,1.31,1.32 VASPReader.java,1.27,1.28 XYZWriter.java,1.22,1.23
Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/io In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv972/src/org/openscience/cdk/io Modified Files: CMLReader.java CMLWriter.java ChemicalRSSReader.java CrystClustReader.java Gaussian03Reader.java Gaussian98Reader.java HINWriter.java IChIReader.java INChIPlainTextReader.java MACiEReader.java MDLRXNReader.java MDLRXNV3000Reader.java MDLRXNWriter.java MDLReader.java MDLV3000Reader.java MDLWriter.java Mol2Reader.java PDBWriter.java ShelXReader.java VASPReader.java XYZWriter.java Log Message: Set the causing Throwable in the constructed CDKException (closes #1309530) Index: CMLReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/CMLReader.java,v retrieving revision 1.42 retrieving revision 1.43 diff -u -r1.42 -r1.43 --- CMLReader.java 22 Oct 2005 16:25:44 -0000 1.42 +++ CMLReader.java 23 Oct 2005 08:12:56 -0000 1.43 @@ -205,18 +205,18 @@ String error = "Error while reading file: " + e.getMessage(); logger.error(error); logger.debug(e); - throw new CDKException(error); + throw new CDKException(error, e); } catch (SAXParseException saxe) { SAXParseException spe = (SAXParseException)saxe; String error = "Found well-formedness error in line " + spe.getLineNumber(); logger.error(error); logger.debug(saxe); - throw new CDKException(error); + throw new CDKException(error, saxe); } catch (SAXException saxe) { String error = "Error while parsing XML: " + saxe.getMessage(); logger.error(error); logger.debug(saxe); - throw new CDKException(error); + throw new CDKException(error, saxe); } return cdo; } Index: CMLWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/CMLWriter.java,v retrieving revision 1.80 retrieving revision 1.81 diff -u -r1.80 -r1.81 --- CMLWriter.java 22 Oct 2005 16:25:44 -0000 1.80 +++ CMLWriter.java 23 Oct 2005 08:12:56 -0000 1.81 @@ -188,7 +188,7 @@ prefix); cmldoc.appendChild(convertor.convert(object,cmldoc)); } catch (CMLException ex){ - throw new CDKException(ex.getMessage()); + throw new CDKException(ex.getMessage(), ex); } if (!fragment) { @@ -216,7 +216,7 @@ String error = "Error while transforming XML string: " + ex.getMessage(); logger.error(error); logger.debug(ex); - throw new CDKException(error); + throw new CDKException(error, ex); } }; Index: ChemicalRSSReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/ChemicalRSSReader.java,v retrieving revision 1.24 retrieving revision 1.25 diff -u -r1.24 -r1.25 --- ChemicalRSSReader.java 22 Oct 2005 16:25:44 -0000 1.24 +++ ChemicalRSSReader.java 23 Oct 2005 08:12:56 -0000 1.25 @@ -200,19 +200,19 @@ String error = "Error while reading file: " + e.toString(); logger.error(error); logger.debug(e); - throw new CDKException(error); + throw new CDKException(error, e); } catch (SAXParseException saxe) { saxe.printStackTrace(); SAXParseException spe = (SAXParseException)saxe; String error = "Found well-formedness error in line " + spe.getLineNumber(); logger.error(error); logger.debug(saxe); - throw new CDKException(error); + throw new CDKException(error, saxe); } catch (SAXException saxe) { String error = "Error while parsing XML: " + saxe.toString(); logger.error(error); logger.debug(saxe); - throw new CDKException(error); + throw new CDKException(error, saxe); } return handler.getChemSequence(); } Index: CrystClustReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/CrystClustReader.java,v retrieving revision 1.18 retrieving revision 1.19 diff -u -r1.18 -r1.19 --- CrystClustReader.java 22 Oct 2005 16:25:44 -0000 1.18 +++ CrystClustReader.java 23 Oct 2005 08:12:56 -0000 1.19 @@ -216,7 +216,7 @@ String message = "Error while parsing CrystClust file: " + exception.getMessage(); logger.error(message); logger.debug(exception); - throw new CDKException(message); + throw new CDKException(message, exception); } return file; } Index: Gaussian03Reader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/Gaussian03Reader.java,v retrieving revision 1.27 retrieving revision 1.28 diff -u -r1.27 -r1.28 --- Gaussian03Reader.java 22 Oct 2005 16:25:44 -0000 1.27 +++ Gaussian03Reader.java 23 Oct 2005 08:12:56 -0000 1.28 @@ -155,7 +155,7 @@ try { readCoordinates(model); } catch (IOException exception) { - throw new CDKException("Error while reading coordinates: " + exception.toString()); + throw new CDKException("Error while reading coordinates: " + exception.toString(), exception); } break; } @@ -180,7 +180,7 @@ try { readFrequencies(model); } catch (IOException exception) { - throw new CDKException("Error while reading frequencies: " + exception.toString()); + throw new CDKException("Error while reading frequencies: " + exception.toString(), exception); } } else if (line.indexOf("Mulliken atomic charges") >= 0) { readPartialCharges(model); @@ -189,7 +189,7 @@ try { readNMRData(model, line); } catch (IOException exception) { - throw new CDKException("Error while reading NMR data: " + exception.toString()); + throw new CDKException("Error while reading NMR data: " + exception.toString(), exception); } } else if (line.indexOf("GINC") >= 0) { // Found calculation level of theory @@ -204,7 +204,7 @@ fireFrameRead(); } } catch (IOException exception) { - throw new CDKException("Error while reading general structure: " + exception.toString()); + throw new CDKException("Error while reading general structure: " + exception.toString(), exception); } return sequence; } Index: Gaussian98Reader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/Gaussian98Reader.java,v retrieving revision 1.33 retrieving revision 1.34 diff -u -r1.33 -r1.34 --- Gaussian98Reader.java 22 Oct 2005 16:25:44 -0000 1.33 +++ Gaussian98Reader.java 23 Oct 2005 08:12:56 -0000 1.34 @@ -193,8 +193,9 @@ } catch (IOException exception) { throw new CDKException( - "Error while reading file: " + exception.toString() - ); + "Error while reading file: " + exception.toString(), + exception + ); } return file; } else Index: HINWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/HINWriter.java,v retrieving revision 1.18 retrieving revision 1.19 diff -u -r1.18 -r1.19 --- HINWriter.java 22 Oct 2005 16:25:44 -0000 1.18 +++ HINWriter.java 23 Oct 2005 08:12:56 -0000 1.19 @@ -81,7 +81,7 @@ som.addMolecule((Molecule)object); writeMolecule(som); } catch(Exception ex) { - throw new CDKException("Error while writing HIN file: " + ex.getMessage()); + throw new CDKException("Error while writing HIN file: " + ex.getMessage(), ex); } } else if (object instanceof SetOfMolecules) { try { Index: IChIReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/IChIReader.java,v retrieving revision 1.31 retrieving revision 1.32 diff -u -r1.31 -r1.32 --- IChIReader.java 22 Oct 2005 16:25:44 -0000 1.31 +++ IChIReader.java 23 Oct 2005 08:12:56 -0000 1.32 @@ -191,11 +191,11 @@ } catch (IOException e) { logger.error("IOException: ", e.getMessage()); logger.debug(e); - throw new CDKException("Error while reading IChI: " + e.getMessage()); + throw new CDKException("Error while reading IChI: " + e.getMessage(), e); } catch (SAXException saxe) { logger.error("SAXException: ", saxe.getClass().getName()); logger.debug(saxe); - throw new CDKException("Error while reading IChI: " + saxe.getMessage()); + throw new CDKException("Error while reading IChI: " + saxe.getMessage(), saxe); } return cf; } Index: INChIPlainTextReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/INChIPlainTextReader.java,v retrieving revision 1.12 retrieving revision 1.13 diff -u -r1.12 -r1.13 --- INChIPlainTextReader.java 22 Oct 2005 16:25:44 -0000 1.12 +++ INChIPlainTextReader.java 23 Oct 2005 08:12:56 -0000 1.13 @@ -172,7 +172,7 @@ line = input.readLine(); } } catch (Exception exception) { - throw new CDKException("Error while reading INChI file: " + exception.getMessage()); + throw new CDKException("Error while reading INChI file: " + exception.getMessage(), exception); } return cf; } Index: MACiEReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MACiEReader.java,v retrieving revision 1.45 retrieving revision 1.46 diff -u -r1.45 -r1.46 --- MACiEReader.java 22 Oct 2005 16:25:44 -0000 1.45 +++ MACiEReader.java 23 Oct 2005 08:12:56 -0000 1.46 @@ -180,7 +180,7 @@ String message = "Error while reading file, line number: " + input.getLineNumber(); logger.error(message); logger.debug(exception); - throw new CDKException(message); + throw new CDKException(message, exception); } throw new CDKException("Only supported are ChemSequence and ChemModel."); } Index: MDLRXNReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLRXNReader.java,v retrieving revision 1.32 retrieving revision 1.33 diff -u -r1.32 -r1.33 --- MDLRXNReader.java 22 Oct 2005 16:25:44 -0000 1.32 +++ MDLRXNReader.java 23 Oct 2005 08:12:56 -0000 1.33 @@ -156,7 +156,7 @@ input.readLine(); // fourth line } catch (IOException exception) { logger.debug(exception); - throw new CDKException("Error while reading header of RXN file"); + throw new CDKException("Error while reading header of RXN file", exception); } int reactantCount = 0; @@ -172,7 +172,7 @@ logger.info("Expecting " + productCount + " products in file"); } catch (Exception exception) { logger.debug(exception); - throw new CDKException("Error while counts line of RXN file"); + throw new CDKException("Error while counts line of RXN file", exception); } // now read the reactants @@ -201,7 +201,7 @@ throw exception; } catch (Exception exception) { logger.debug(exception); - throw new CDKException("Error while reading reactant"); + throw new CDKException("Error while reading reactant", exception); } // now read the products @@ -230,7 +230,7 @@ throw exception; } catch (Exception exception) { logger.debug(exception); - throw new CDKException("Error while reading products"); + throw new CDKException("Error while reading products", exception); } // now try to map things, if wanted Index: MDLRXNV3000Reader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLRXNV3000Reader.java,v retrieving revision 1.24 retrieving revision 1.25 diff -u -r1.24 -r1.25 --- MDLRXNV3000Reader.java 22 Oct 2005 16:25:44 -0000 1.24 +++ MDLRXNV3000Reader.java 23 Oct 2005 08:12:56 -0000 1.25 @@ -136,7 +136,7 @@ String error = "Unexpected error while reading file: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } return line; } @@ -163,7 +163,7 @@ logger.info("Expecting " + productCount + " products in file"); } catch (Exception exception) { logger.debug(exception); - throw new CDKException("Error while counts line of RXN file"); + throw new CDKException("Error while counts line of RXN file", exception); } foundCOUNTS = true; } else { @@ -200,7 +200,7 @@ String error = "Error while reading reactant: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } @@ -233,7 +233,7 @@ String error = "Error while reading product: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } @@ -247,7 +247,7 @@ String error = "Unexpected error while reading file: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } Index: MDLRXNWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLRXNWriter.java,v retrieving revision 1.9 retrieving revision 1.10 diff -u -r1.9 -r1.10 --- MDLRXNWriter.java 22 Oct 2005 16:25:44 -0000 1.9 +++ MDLRXNWriter.java 23 Oct 2005 08:12:56 -0000 1.10 @@ -160,7 +160,7 @@ logger.error(ex.getMessage()); logger.debug(ex); System.out.println("HUHU2"); - throw new CDKException("Exception while writing MDL file: " + ex.getMessage()); + throw new CDKException("Exception while writing MDL file: " + ex.getMessage(), ex); } } @@ -182,7 +182,7 @@ } catch (Exception ex) { logger.error(ex.getMessage()); logger.debug(ex); - throw new CDKException("Exception while creating MDLWriter: " + ex.getMessage()); + throw new CDKException("Exception while creating MDLWriter: " + ex.getMessage(), ex); } mdlwriter.write(mol); writer.write(sw.toString()); Index: MDLReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLReader.java,v retrieving revision 1.89 retrieving revision 1.90 diff -u -r1.89 -r1.90 --- MDLReader.java 22 Oct 2005 16:25:44 -0000 1.89 +++ MDLReader.java 23 Oct 2005 08:12:56 -0000 1.90 @@ -252,14 +252,14 @@ String error = "Error while parsing SDF"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } try { input.close(); } catch (Exception exc) { String error = "Error while closing file: " + exc.getMessage(); logger.error(error); - throw new CDKException(error); + throw new CDKException(error, exc); } chemFile.addChemSequence(chemSequence); @@ -493,7 +493,7 @@ String error = "Error (" + exception.getMessage() + ") while parsing line " + linecount + ": " + line + " in property block."; logger.error(error); - throw new CDKException("NumberFormatException in isotope information on line: " + line); + throw new CDKException("NumberFormatException in isotope information on line: " + line, exception); } } else if (line.startsWith("M RAD")) { try { @@ -516,7 +516,7 @@ String error = "Error (" + exception.getMessage() + ") while parsing line " + linecount + ": " + line + " in property block."; logger.error(error); - throw new CDKException("NumberFormatException in radical information on line: " + line); + throw new CDKException("NumberFormatException in radical information on line: " + line, exception); } } else if (line.startsWith("G ")) { try { @@ -540,7 +540,7 @@ String error = "Error (" + exception.toString() + ") while parsing line " + linecount + ": " + line + " in property block."; logger.error(error); - throw new CDKException("NumberFormatException in group information on line: " + line); + throw new CDKException("NumberFormatException in group information on line: " + line, exception); } } if (!lineRead) { @@ -554,7 +554,7 @@ String error = "Error while parsing line " + linecount + ": " + line + " in property block: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } return molecule; } @@ -569,7 +569,7 @@ "no"); } - private void customizeJob() { + public void customizeJob() { fireIOSettingQuestion(forceReadAs3DCoords); } Index: MDLV3000Reader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLV3000Reader.java,v retrieving revision 1.27 retrieving revision 1.28 diff -u -r1.27 -r1.28 --- MDLV3000Reader.java 22 Oct 2005 16:25:44 -0000 1.27 +++ MDLV3000Reader.java 23 Oct 2005 08:12:56 -0000 1.28 @@ -178,7 +178,7 @@ String error = "Error while parsing atom index"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // parse the element String element = tokenizer.nextToken(); @@ -205,7 +205,7 @@ String error = "Error while parsing atom coordinates"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // atom-atom mapping String mapping = tokenizer.nextToken(); @@ -234,7 +234,7 @@ value + ": " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } } @@ -267,7 +267,7 @@ String error = "Error while parsing bond index"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // parse the order try { @@ -282,7 +282,7 @@ String error = "Error while parsing bond index"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // parse index atom 1 try { @@ -294,7 +294,7 @@ String error = "Error while parsing index atom 1 in bond"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // parse index atom 2 try { @@ -306,7 +306,7 @@ String error = "Error while parsing index atom 2 in bond"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } // the rest are key=value fields if (command.indexOf("=") != -1) { @@ -335,7 +335,7 @@ value + ": " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } } @@ -397,7 +397,7 @@ value + ": " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } if (atomID != -1 && label.length() > 0) { org.openscience.cdk.interfaces.Atom atom = readData.getAtomAt(atomID-1); @@ -485,7 +485,7 @@ String error = "Unexpected error while reading file: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } return line; } @@ -497,7 +497,7 @@ String error = "Unexpected error while reading file: " + exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } } Index: MDLWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLWriter.java,v retrieving revision 1.70 retrieving revision 1.71 diff -u -r1.70 -r1.71 --- MDLWriter.java 22 Oct 2005 16:25:44 -0000 1.70 +++ MDLWriter.java 23 Oct 2005 08:12:56 -0000 1.71 @@ -177,7 +177,7 @@ catch (Exception ex) { logger.error(ex.getMessage()); logger.debug(ex); - throw new CDKException("Exception while writing MDL file: " + ex.getMessage()); + throw new CDKException("Exception while writing MDL file: " + ex.getMessage(), ex); } } else { throw new CDKException("Only supported is writing of ChemFile, SetOfMolecules and Molecule objects."); Index: Mol2Reader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/Mol2Reader.java,v retrieving revision 1.23 retrieving revision 1.24 diff -u -r1.23 -r1.24 --- Mol2Reader.java 22 Oct 2005 16:25:44 -0000 1.23 +++ Mol2Reader.java 23 Oct 2005 08:12:56 -0000 1.24 @@ -163,7 +163,7 @@ String error = "Could not instantiate an AtomTypeFactory"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } try { String line = input.readLine(); @@ -182,7 +182,7 @@ String error = "Error while reading atom count from MOLECULE block"; logger.error(error); logger.debug(nfExc); - throw new CDKException(error); + throw new CDKException(error, nfExc); } if (tokenizer.hasMoreTokens()) { try { @@ -191,7 +191,7 @@ String error = "Error while reading atom and bond counts"; logger.error(error); logger.debug(nfExc); - throw new CDKException(error); + throw new CDKException(error, nfExc); } } else { bondCount = 0; @@ -229,7 +229,7 @@ String error = "Error while reading atom coordinates"; logger.error(error); logger.debug(nfExc); - throw new CDKException(error); + throw new CDKException(error, nfExc); } molecule.addAtom(atom); } @@ -271,7 +271,7 @@ String error = "Error while reading bond information"; logger.error(error); logger.debug(nfExc); - throw new CDKException(error); + throw new CDKException(error, nfExc); } } } @@ -281,7 +281,7 @@ String error = "Error while reading general structure"; logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } return molecule; } Index: PDBWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/PDBWriter.java,v retrieving revision 1.25 retrieving revision 1.26 diff -u -r1.25 -r1.26 --- PDBWriter.java 22 Oct 2005 16:25:44 -0000 1.25 +++ PDBWriter.java 23 Oct 2005 08:12:56 -0000 1.26 @@ -143,7 +143,7 @@ writer.write(terRecordName, 0, terRecordName.length()); writer.newLine(); } catch (IOException exception) { - throw new CDKException("Error while writing file: " + exception.getMessage()); + throw new CDKException("Error while writing file: " + exception.getMessage(), exception); } } @@ -176,7 +176,7 @@ } writeMolecule(crystal.getBuilder().newMolecule(crystal)); } catch (IOException exception) { - throw new CDKException("Error while writing file: " + exception.getMessage()); + throw new CDKException("Error while writing file: " + exception.getMessage(), exception); } } Index: ShelXReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/ShelXReader.java,v retrieving revision 1.31 retrieving revision 1.32 diff -u -r1.31 -r1.32 --- ShelXReader.java 22 Oct 2005 16:25:44 -0000 1.31 +++ ShelXReader.java 23 Oct 2005 08:12:56 -0000 1.32 @@ -126,7 +126,7 @@ return readCrystal((Crystal)object); } catch (IOException e) { logger.error("Input/Output error while reading from input: " + e.getMessage()); - throw new CDKException(e.getMessage()); + throw new CDKException(e.getMessage(), e); } } else { throw new CDKException("Only supported is reading of ChemFile."); Index: VASPReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/VASPReader.java,v retrieving revision 1.27 retrieving revision 1.28 diff -u -r1.27 -r1.28 --- VASPReader.java 22 Oct 2005 16:25:44 -0000 1.27 +++ VASPReader.java 23 Oct 2005 08:12:56 -0000 1.28 @@ -133,7 +133,7 @@ exception.getMessage(); logger.error(error); logger.debug(exception); - throw new CDKException(error); + throw new CDKException(error, exception); } return cf; } else { Index: XYZWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/XYZWriter.java,v retrieving revision 1.22 retrieving revision 1.23 diff -u -r1.22 -r1.23 --- XYZWriter.java 22 Oct 2005 16:25:44 -0000 1.22 +++ XYZWriter.java 23 Oct 2005 08:12:56 -0000 1.23 @@ -77,7 +77,7 @@ try { writeMolecule((Molecule)object); } catch(Exception ex) { - throw new CDKException("Error while writing XYZ file: " + ex.getMessage()); + throw new CDKException("Error while writing XYZ file: " + ex.getMessage(), ex); } } else { throw new CDKException("XYZWriter only supports output of Molecule classes."); |