--- trunk/OOPSE-2.0/src/io/AtomTypesSectionParser.cpp 2005/04/15 22:04:00 2204 +++ trunk/OOPSE-2.0/src/io/AtomTypesSectionParser.cpp 2005/06/13 18:25:30 2257 @@ -67,16 +67,19 @@ namespace oopse { AtomType* atomType = ff.getAtomType(atomTypeName); if (atomType == NULL) { - atomType = new AtomType(); - int ident = ff.getNAtomType() + 1; - atomType->setIdent(ident); - atomType->setName(atomTypeName); - ff.addAtomType(atomTypeName, atomType); + atomType = new AtomType(); + int ident = ff.getNAtomType() + 1; + atomType->setIdent(ident); + atomType->setName(atomTypeName); + ff.addAtomType(atomTypeName, atomType); } double mass = tokenizer.nextTokenAsDouble(); atomType->setMass(mass); - + if (tokenizer.hasMoreTokens()) { + double nelectron = tokenizer.nextTokenAsDouble(); + atomType->addProperty(new DoubleGenericData("nelectron", nelectron)); + } }