User c23c5e9da4
15-10-2007 22:05:08
Caused by: java.lang.NullPointerException
at chemaxon.marvin.modules.Parity.getParity(Parity.java:286)
at chemaxon.marvin.modules.Parity.modfunc(Parity.java:137)
at chemaxon.struc.MoleculeGraph.getParity(MoleculeGraph.java:1821)
at chemaxon.marvin.modules.SmilesExport.tetrahedralMol2Smi(SmilesExport.java:2357)
at chemaxon.marvin.modules.SmilesExport.generateSmilesString(SmilesExport.java:1780)
at chemaxon.marvin.modules.SmilesExport.singleMolToSMILES(SmilesExport.java:742)
at chemaxon.marvin.modules.SmilesExport.exportReaction(SmilesExport.java:3943)
at chemaxon.marvin.modules.SmilesExport.toSMILES(SmilesExport.java:616)
at chemaxon.marvin.modules.SmilesExport.convert(SmilesExport.java:579)
at chemaxon.struc.Molecule.exportToObject(Molecule.java:1324)
at chemaxon.struc.Molecule.exportToObject(Molecule.java:1289)
at chemaxon.struc.Molecule.exportToFormat(Molecule.java:1138)
at chemaxon.struc.Molecule.toFormat(Molecule.java:1116)
Note that when redrawing the structure involved I can't reproduce this error.
at chemaxon.marvin.modules.Parity.getParity(Parity.java:286)
at chemaxon.marvin.modules.Parity.modfunc(Parity.java:137)
at chemaxon.struc.MoleculeGraph.getParity(MoleculeGraph.java:1821)
at chemaxon.marvin.modules.SmilesExport.tetrahedralMol2Smi(SmilesExport.java:2357)
at chemaxon.marvin.modules.SmilesExport.generateSmilesString(SmilesExport.java:1780)
at chemaxon.marvin.modules.SmilesExport.singleMolToSMILES(SmilesExport.java:742)
at chemaxon.marvin.modules.SmilesExport.exportReaction(SmilesExport.java:3943)
at chemaxon.marvin.modules.SmilesExport.toSMILES(SmilesExport.java:616)
at chemaxon.marvin.modules.SmilesExport.convert(SmilesExport.java:579)
at chemaxon.struc.Molecule.exportToObject(Molecule.java:1324)
at chemaxon.struc.Molecule.exportToObject(Molecule.java:1289)
at chemaxon.struc.Molecule.exportToFormat(Molecule.java:1138)
at chemaxon.struc.Molecule.toFormat(Molecule.java:1116)
Note that when redrawing the structure involved I can't reproduce this error.