19 #ifndef OST_MOL_ALG_CLASH_SCORE_HH
20 #define OST_MOL_ALG_CLASH_SCORE_HH
30 namespace ost {
namespace mol {
namespace alg {
48 const mol::EntityView& ent_b);
54 const mol::EntityView& ent_b);
#define DLLEXPORT_OST_MOL_ALG
Three dimensional vector class, using Real precision.
Real DLLEXPORT_OST_MOL_ALG StericEnergy(const geom::Vec3 &pos1, Real r1, const geom::Vec3 &pos2, Real r2)
calculate steric energy of two atoms
Real DLLEXPORT_OST_MOL_ALG ClashScore(const mol::EntityView &ent_a, const mol::EntityView &ent_b)
calculate clash score between two entity views