diff --git a/modules/mol/alg/src/clash_score.cc b/modules/mol/alg/src/clash_score.cc index 3bac0cd842d4f30ddd31c35a8b80b3561fe8982c..48b4d64be9aee9554142df2533cdfe119d994203 100644 --- a/modules/mol/alg/src/clash_score.cc +++ b/modules/mol/alg/src/clash_score.cc @@ -24,28 +24,6 @@ namespace ost { namespace mol { namespace alg { -namespace { - -template <typename T, typename I> -Real do_clash_score(const T& ent_a, const EntityView& ent_b) -{ - Real energy=0.0; - for (I i=ent_a.AtomsBegin(), e=ent_a.AtomsEnd(); i!=e; ++i) { - - AtomViewList clashees=ent_b.FindWithin((*i).GetPos(), - (*i).GetRadius()+1.7); - - for (AtomViewList::iterator j=clashees.begin(), - e2=clashees.end(); j!=e2; ++j) { - energy+=StericEnergy((*j).GetPos(), (*j).GetRadius()-0.25, - (*i).GetPos(), (*i).GetRadius()-0.25); - } - } - return energy; -} - -} - Real StericEnergy(const geom::Vec3& pos1, Real r1, const geom::Vec3& pos2, Real r2) {