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root/group/branches/new_design/OOPSE-2.0/src/primitives/Molecule.cpp
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Comparing branches/new_design/OOPSE-2.0/src/primitives/Molecule.cpp (file contents):
Revision 1695 by tim, Mon Nov 1 22:52:57 2004 UTC vs.
Revision 1701 by tim, Wed Nov 3 16:08:43 2004 UTC

# Line 204 | Line 204 | void Molecule::calcForces() {
204      }
205  
206      for (bond = beginBond(bondIter); bond != NULL; bond = nextBond(bondIter)) {
207 <        bond->calcForce();
207 >        bond->calc_forces();
208      }
209  
210      for (bend = beginBend(bendIter); bend != NULL; bend = nextBend(bendIter)) {
211 <        bend->calcForce();
211 >        bend->calc_forces();
212      }
213  
214      for (torsion = beginTorsion(torsionIter); torsion != NULL; torsion = nextTorsion(torsionIter)) {
215 <        torsion->calcForce();
215 >        torsion->calc_forces();
216      }
217      
218   }
# Line 234 | Line 234 | double Molecule::getPotential() {
234      //}
235  
236      for (bond = beginBond(bondIter); bond != NULL; bond = nextBond(bondIter)) {
237 <        potential += bond->getPotential();
237 >        potential += bond->get_potential();
238      }
239  
240      for (bend = beginBend(bendIter); bend != NULL; bend = nextBend(bendIter)) {
241 <        potential += bend->getPotential();
241 >        potential += bend->get_potential();
242      }
243  
244      for (torsion = beginTorsion(torsionIter); torsion != NULL; torsion = nextTorsion(torsionIter)) {
245 <        potential += torsion->getPotential();
245 >        potential += torsion->get_potential();
246      }
247      
248      return potential;

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