--- trunk/OOPSE/libmdtools/Molecule.cpp 2003/03/27 20:40:01 426 +++ trunk/OOPSE/libmdtools/Molecule.cpp 2003/03/31 21:50:59 438 @@ -1,7 +1,8 @@ -#include +#include #include "Molecule.hpp" +#include "simError.h" @@ -60,7 +61,7 @@ void Molecule::initialize( molInit &theInit ){ myBonds = theInit.myBonds; myBends = theInit.myBends; myTorsions = theInit.myTorsions; - myExcludes = theInit.myExcludses; + myExcludes = theInit.myExcludes; } @@ -82,7 +83,7 @@ void Molecule::calcForces( void ){ } -void Molecule::getPotential( void ){ +double Molecule::getPotential( void ){ int i; double myPot = 0.0; @@ -101,3 +102,20 @@ void Molecule::getPotential( void ){ return myPot; } + +void Molecule::printMe( void ){ + + int i; + + for(i=0; iprintMe(); + } + + for(i=0; iprintMe(); + } + + for(i=0; iprintMe(); + } +}