atom_frame Struct Reference

#include <tree.h>

Inheritance diagram for atom_frame:

Collaboration diagram for atom_frame:

Public Member Functions
	atom_frame (const vec &origin_, sz begin_, sz end_)
void	set_coords (const atomv &atoms, vecv &coords) const
vecp	sum_force_and_torque (const vecv &coords, const vecv &forces) const
vec	local_to_lab (const vec &local_coords) const
vec	local_to_lab_direction (const vec &local_direction) const
const qt &	orientation () const
const vec &	get_origin () const
template<typename F >
void	transform (const F &f)

Public Attributes
sz	begin
sz	end

Protected Member Functions
void	set_orientation (const qt &q)

Protected Attributes
vec	origin
mat	orientation_m
qt	orientation_q

Constructor & Destructor Documentation

atom_frame::atom_frame ( const vec &  origin_, sz  begin_, sz  end_  )

inline

Member Function Documentation

void atom_frame::set_coords ( const atomv &  atoms, vecv &  coords  ) const

inline

References atom_range::begin, atom_range::end, frame::local_to_lab(), and VINA_RANGE.

Referenced by rigid_body::set_conf(), segment::set_conf(), and first_segment::set_conf().

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vecp atom_frame::sum_force_and_torque ( const vecv &  coords, const vecv &  forces  ) const

inline

References atom_range::begin, cross_product(), atom_range::end, frame::origin, and VINA_RANGE.

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vec frame::local_to_lab ( const vec &  local_coords ) const

inlineinherited

References frame::orientation_m, and frame::origin.

Referenced by segment::set_conf(), and set_coords().

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vec frame::local_to_lab_direction ( const vec &  local_direction ) const

inlineinherited

References frame::orientation_m.

Referenced by segment::set_conf().

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const qt& frame::orientation ( ) const

inlineinherited

References frame::orientation_q.

Referenced by segment::segment(), and segment::set_conf().

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const vec& frame::get_origin ( ) const

inlineinherited

References frame::origin.

Referenced by segment::segment().

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void frame::set_orientation ( const qt &  q )

inlineprotectedinherited

References frame::orientation_m, frame::orientation_q, and quaternion_to_r3().

Referenced by rigid_body::set_conf(), segment::set_conf(), and first_segment::set_conf().

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template<typename F >

void atom_range::transform ( const F &  f )

inlineinherited

References atom_range::begin, and atom_range::end.

Referenced by appender::update().

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Member Data Documentation

vec frame::origin

protectedinherited

Referenced by axis_frame::axis_frame(), frame::get_origin(), frame::local_to_lab(), segment::segment(), rigid_body::set_conf(), segment::set_conf(), and sum_force_and_torque().

mat frame::orientation_m

protectedinherited

Referenced by frame::local_to_lab(), frame::local_to_lab_direction(), and frame::set_orientation().

qt frame::orientation_q

protectedinherited

Referenced by frame::orientation(), and frame::set_orientation().

sz atom_range::begin

inherited

Referenced by add_bonds(), model::check_internal_pairs(), conf_independent_inputs::conf_independent_inputs(), terms::evale_robust(), get_atom_range(), model::get_ligand_coords(), model::get_ligand_internal_coords(), model::rmsd_ligands_upper_bound(), set_coords(), ligand::set_range(), sum_force_and_torque(), and atom_range::transform().

sz atom_range::end

inherited

Referenced by add_bonds(), model::check_internal_pairs(), conf_independent_inputs::conf_independent_inputs(), terms::evale_robust(), get_atom_range(), model::get_ligand_coords(), model::get_ligand_internal_coords(), model::rmsd_ligands_upper_bound(), set_coords(), ligand::set_range(), sum_force_and_torque(), and atom_range::transform().

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The documentation for this struct was generated from the following file:

• tree.h