mutate.cpp File Reference

#include "mutate.h"

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Functions
sz	count_mutable_entities (const conf &c)
void	mutate_conf (conf &c, const model &m, fl amplitude, rng &generator)

Function Documentation

sz count_mutable_entities

(

const conf &

c

)

References conf::flex, conf::ligands, and VINA_FOR_IN.

Referenced by mutate_conf().

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void mutate_conf	(	conf &	c,
		const model &	m,
		fl	amplitude,
		rng &	generator
	)

References count_mutable_entities(), epsilon_fl, conf::flex, model::gyration_radius(), conf::ligands, pi, quaternion_increment(), random_fl(), random_inside_sphere(), random_int(), VINA_CHECK, and VINA_FOR_IN.

Referenced by monte_carlo::operator()(), and monte_carlo::single_run().

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