|
|
VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <precalculate.h>
Public Member Functions | |
| precalculate_element (sz n, fl factor_) | |
| fl | eval_fast (fl r2) const |
| pr | eval_deriv (fl r2) const |
| void | init_from_smooth_fst (const flv &rs) |
| sz | min_smooth_fst () const |
| void | widen_smooth_fst (const flv &rs, fl left, fl right) |
| void | widen (const flv &rs, fl left, fl right) |
Public Attributes | |
| flv | fast |
| prv | smooth |
| fl | factor |
References epsilon_fl, factor, and smooth.
Referenced by widen_smooth_fst().

|
inline |
References fast, smooth, VINA_CHECK, and VINA_FOR.
Referenced by precalculate::precalculate(), and widen().

|
inline |
References smooth, and VINA_FOR_IN.
Referenced by widen_smooth_fst().

References eval_deriv(), min_smooth_fst(), smooth, sqr(), VINA_CHECK, and VINA_FOR_IN.
Referenced by widen().


References init_from_smooth_fst(), and widen_smooth_fst().

| flv precalculate_element::fast |
Referenced by eval_fast(), and init_from_smooth_fst().
| prv precalculate_element::smooth |
Referenced by eval_deriv(), init_from_smooth_fst(), min_smooth_fst(), precalculate::precalculate(), and widen_smooth_fst().
| fl precalculate_element::factor |
Referenced by eval_deriv(), and eval_fast().