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_();
184 #endif // BALL_SCORING_FUNCTIONS_SLICKENERGY_H
#define BALL_CREATE(name)
static const float NONPOLAR
static const char * POLAR
static const char * NONPOLAR
static const char * CONST
-*- Mode: C++; tab-width: 2; -*-