3 #ifndef BALL_SCORING_FUNCTIONS_SLICKENERGY_H
4 #define BALL_SCORING_FUNCTIONS_SLICKENERGY_H
10 #ifndef BALL_MOLMEC_COMMON_SCORING_FUNCTION_H
14 #ifndef BALL_KERNEL_SYSTEM_H
18 #ifndef BALL_DATATYPE_HASHMAP_H
48 static const char*
HB;
52 static const char*
VDW;
79 static const float HB;
83 static const float VDW;
137 virtual
void clear();
156 double getCHPIScore() const;
160 double getHydrogenBondScore() const;
164 double getVDWScore() const;
168 double getPolarSolvationScore() const;
172 double getNonpolarSolvationScore() const;
179 void registerComponents_();
#define BALL_CREATE(name)
static const char * POLAR
static const char * CONST
static const char * NONPOLAR
static const float NONPOLAR