--- trunk/OOPSE-2.0/src/types/MoleculeStamp.cpp 2005/12/06 21:01:08 2493 +++ trunk/OOPSE-2.0/src/types/MoleculeStamp.cpp 2005/12/10 16:54:40 2507 @@ -202,14 +202,6 @@ struct BendLessThan : public std::binary_function { - bool operator()(IntTuple3 b1, IntTuple3 b2) { - return b1.first < b2.first - || (!(b2.first < b1.first) && b1.second < b2.second) - || (!(b2.first < b1.first) && !(b2.second < b2.second) && b1.third < b2.third); - } -}; - void MoleculeStamp::checkBends() { for(int i = 0; i < getNBends(); ++i) { BendStamp* bendStamp = getBendStamp(i); @@ -257,8 +249,8 @@ void MoleculeStamp::checkBends() { } - std::set allBends; - std::set::iterator iter; + std::set allBends; + std::set::iterator iter; for(int i = 0; i < getNBends(); ++i) { BendStamp* bendStamp= getBendStamp(i); std::vector bend = bendStamp->getMembers(); @@ -344,21 +336,7 @@ void MoleculeStamp::checkBends() { } } - -struct TorsionLessThan : public std::binary_function { - bool operator()(IntTuple4 t1, IntTuple4 t2) { - - return t1.first < t2.first - || (!(t2.first < t1.first) && t1.second < t2.second) - || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third) - ||(!(t2.first < t1.first) && !(t2.second < t2.second) && !(t2.third < t1.third) && t1.fourth < t2.fourth); - } - - -}; - - void MoleculeStamp::checkTorsions() { for(int i = 0; i < getNTorsions(); ++i) { TorsionStamp* torsionStamp = getTorsionStamp(i); @@ -385,8 +363,8 @@ void MoleculeStamp::checkTorsions() { } } - std::set allTorsions; - std::set::iterator iter; + std::set allTorsions; + std::set::iterator iter; for(int i = 0; i < getNTorsions(); ++i) { TorsionStamp* torsionStamp= getTorsionStamp(i); std::vector torsion = torsionStamp->getMembers();