tree.h File Reference

#include "conf.h"
#include "atom.h"

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Classes
struct	frame
struct	atom_range
struct	atom_frame
struct	rigid_body
struct	axis_frame
struct	segment
struct	first_segment
struct	tree< T >
struct	heterotree< Node >
struct	vector_mutable< T >

Typedefs
typedef tree< segment >	branch
typedef std::vector< branch >	branches
typedef heterotree< rigid_body >	flexible_body
typedef heterotree< first_segment >	main_branch

Functions
template<typename T >
void	branches_set_conf (std::vector< T > &b, const frame &parent, const atomv &atoms, vecv &coords, flv::const_iterator &c)
template<typename T >
void	branches_derivative (const std::vector< T > &b, const vec &origin, const vecv &coords, const vecv &forces, vecp &out, flv::iterator &d)
template<typename T >
void	count_torsions (const T &t, sz &s)
template<typename T , typename F >
void	transform_ranges (T &t, const F &f)

Typedef Documentation

typedef tree<segment> branch

typedef std::vector<branch> branches

typedef heterotree<rigid_body> flexible_body

typedef heterotree<first_segment> main_branch

Function Documentation

template<typename T >

void branches_set_conf	(	std::vector< T > &	b,
		const frame &	parent,
		const atomv &	atoms,
		vecv &	coords,
		flv::const_iterator &	c
	)

References VINA_FOR_IN.

Referenced by tree< T >::set_conf(), and heterotree< Node >::set_conf().

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template<typename T >

void branches_derivative	(	const std::vector< T > &	b,
		const vec &	origin,
		const vecv &	coords,
		const vecv &	forces,
		vecp &	out,
		flv::iterator &	d
	)

References cross_product(), and VINA_FOR_IN.

Referenced by tree< T >::derivative(), and heterotree< Node >::derivative().

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template<typename T >

void count_torsions	(	const T &	t,
		sz &	s
	)

References VINA_FOR_IN.

template<typename T , typename F >

void transform_ranges	(	T &	t,
		const F &	f
	)

References VINA_FOR_IN.

Referenced by appender::update().

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