4#ifndef BALL_SCORING_COMPONENTS_HYDROGENBONDSLICK_H
5#define BALL_SCORING_COMPONENTS_HYDROGENBONDSLICK_H
176 std::vector<
std::pair<const
Atom*, const
Atom*> > possible_hydrogen_bonds_;
193 double h_bond_distance_lower_;
197 double h_bond_distance_upper_;
201 double h_bond_angle_lower_;
205 double h_bond_angle_upper_;
209 double ideal_hbond_length_;
213 double ideal_hbond_angle_;
#define BALL_CREATE(name)
HashMap class based on the STL map (containing serveral convenience functions)
virtual double updateScore()
void update(const vector< std::pair< Atom *, Atom * > > &)
static const char * HB_DIST_UPPER
static const char * HB_IDEAL_LENGTH
static const char * VERBOSITY
static const char * HB_IDEAL_ANGLE
static const char * HB_ANG_LOWER
static const char * HB_DIST_LOWER
static const char * HB_ANG_UPPER
static const float HB_DIST_UPPER
static const float HB_IDEAL_ANGLE
static const float HB_ANG_LOWER
static const float HB_ANG_UPPER
static const float HB_DIST_LOWER
static const float HB_IDEAL_LENGTH
static const Size VERBOSITY