--- trunk/OOPSE/libmdtools/SRI.hpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/SRI.hpp 2003/06/24 19:57:54 564 @@ -103,6 +103,8 @@ class ConstrainedBond : public Bond{ (public) void printMe( void ){ std::cerr << c_p_a->getType() << " - " << c_p_b->getType() + << ": " << c_p_a->getIndex() << " - " + << c_p_b->getIndex() << ", d0 = " << d0 << "\n"; } @@ -111,6 +113,26 @@ class QuadraticBend : public Bend{ double d0; }; +class HarmonicBond : public Bond{ + +public: + HarmonicBond(Atom &a, Atom &b, double theR0, double theK0 ); + ~HarmonicBond(){} + + void printMe( void ){ + std::cerr << c_p_a->getType() << " - " << c_p_b->getType() + << ": " << c_p_a->getIndex() << " - " + << c_p_b->getIndex() + << ", d0 = " << d0 << ", k0" << k0 <<"\n"; + } + + private: + double bond_force( double r_ab ); + double d0; + double k0; + +}; + class QuadraticBend : public Bend{ public: @@ -172,7 +194,9 @@ class CubicTorsion : public Torsion{ (public) double the_k4 ); void printMe( void ){ std::cerr << c_p_a->getType() << " - " << c_p_b->getType() << " - " - << c_p_c->getType() << " - " << c_p_d->getType() + << c_p_c->getType() << " - " << c_p_d->getType() << ": " + << c_p_a->getIndex() << " - " << c_p_b->getIndex() << " - " + << c_p_c->getIndex() << " - " << c_p_d->getIndex() << ", k1 = " << k1 << "; k2 = " << k2 << "; k3 = " << k3 << "; k4 =" << k4 << "\n"; }