--- trunk/OOPSE-4/src/UseTheForce/DUFF.cpp 2005/04/13 20:36:45 2189 +++ trunk/OOPSE-4/src/UseTheForce/DUFF.cpp 2005/04/15 22:04:00 2204 @@ -57,7 +57,7 @@ DUFF::DUFF(){ namespace oopse { -DUFF::DUFF(){ + DUFF::DUFF(){ //set default force field filename setForceFieldFileName("DUFF2.frc"); @@ -82,9 +82,9 @@ DUFF::DUFF(){ spMan_.push_back(new BendTypesSectionParser()); spMan_.push_back(new TorsionTypesSectionParser()); -} + } -void DUFF::parse(const std::string& filename) { + void DUFF::parse(const std::string& filename) { ifstrstream* ffStream; ffStream = openForceFieldFile(filename); @@ -94,19 +94,19 @@ void DUFF::parse(const std::string& filename) { AtomType* at; for (at = atomTypeCont_.beginType(i); at != NULL; at = atomTypeCont_.nextType(i)) { - at->makeFortranAtomType(); + at->makeFortranAtomType(); } for (at = atomTypeCont_.beginType(i); at != NULL; at = atomTypeCont_.nextType(i)) { - at->complete(); + at->complete(); } delete ffStream; -} + } -DUFF::~DUFF(){ - destroyLJTypes(); - destroyStickyTypes(); -} + DUFF::~DUFF(){ + destroyLJTypes(); + destroyStickyTypes(); + } } //end namespace oopse