Center() | OBScoreGrid | [inline, virtual] |
CenterMol(OBMol &) | OBScoreGrid | [inline, virtual] |
Clear(void) | OBScoreGrid | [inline, virtual] |
Config(std::string) | OBScoreGrid | [inline, virtual] |
Eval(double *) | OBScoreGrid | [inline, virtual] |
Eval(OBMol &mol) | OBScoreGrid | [inline, virtual] |
GetType(void) | OBScoreGrid | [inline] |
gridtype | OBScoreGrid | [protected] |
Init(OBMol &, OBMol &, std::string &, double) | OBScoreGrid | [inline, virtual] |
OBScoreGrid(void) | OBScoreGrid | [inline] |
Read(std::string) | OBScoreGrid | [inline, virtual] |
score | OBScoreGrid | |
SetType(score_t type) | OBScoreGrid | [inline] |
Setup(OBMol &) | OBScoreGrid | [inline, virtual] |
Setup(OBMol &, std::vector< int > &) | OBScoreGrid | [inline, virtual] |
Setup(std::vector< int > &) | OBScoreGrid | [inline, virtual] |
SetVerbose(bool v) | OBScoreGrid | [inline] |
verbose | OBScoreGrid | [protected] |
Write(std::string) | OBScoreGrid | [inline, virtual] |
~OBScoreGrid(void) | OBScoreGrid | [inline, virtual] |