VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <parallel_mc.h>
Public Member Functions | |
parallel_mc () | |
void | operator() (const model &m, output_container &out, const precalculate &p, const igrid &ig, const precalculate &p_widened, const igrid &ig_widened, const vec &corner1, const vec &corner2, rng &generator) const |
Public Attributes | |
monte_carlo | mc |
sz | num_tasks |
sz | num_threads |
bool | display_progress |
|
inline |
void parallel_mc::operator() | ( | const model & | m, |
output_container & | out, | ||
const precalculate & | p, | ||
const igrid & | ig, | ||
const precalculate & | p_widened, | ||
const igrid & | ig_widened, | ||
const vec & | corner1, | ||
const vec & | corner2, | ||
rng & | generator | ||
) | const |
References display_progress, parallel_progress::init(), mc, merge_output_containers(), monte_carlo::min_rmsd, monte_carlo::num_saved_mins, monte_carlo::num_steps, num_tasks, num_threads, random_int(), parallel_iter< F, Container, Input, Sync >::run(), and VINA_FOR.
monte_carlo parallel_mc::mc |
Referenced by do_search(), main_procedure(), and operator()().
sz parallel_mc::num_tasks |
Referenced by main_procedure(), and operator()().
sz parallel_mc::num_threads |
Referenced by main_procedure(), and operator()().
bool parallel_mc::display_progress |
Referenced by main_procedure(), and operator()().