#ifndef SASURFACE_H #define SASURFACE_H #include "DotSphere.h" //#include "Torus.h" #include "MolIntersection.h" #include #include "ChemMolecule.h" #include "Interface.h" #include /* Class that computes solvent accessible surface for the molecule */ class SASurface { public: SASurface(ChemMolecule& mol, float probe_radius, float d); unsigned int buildCapsSurface(Surface& surface); // unsigned int buildBeltsSurface(Surface& surface); //// computes ASA for each atom in ChemMolecule and returns ASA of the molecule float computeASAForAtoms(); private: ChemMolecule& molecule_; float probeRadius_; float density_; MolIntersection molIntersection_; }; #endif