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