VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

axis_frame Struct Reference

#include <tree.h>

Inheritance diagram for axis_frame:
Collaboration diagram for axis_frame:

Public Member Functions

 axis_frame (const vec &origin_, sz begin_, sz end_, const vec &axis_root)
 
void set_derivative (const vecp &force_torque, fl &c) const
 
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 qtorientation () const
 
const vecget_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 axis
 
vec origin
 
mat orientation_m
 
qt orientation_q
 

Constructor & Destructor Documentation

axis_frame::axis_frame ( const vec origin_,
sz  begin_,
sz  end_,
const vec axis_root 
)
inline

References axis, epsilon_fl, vec::norm(), frame::origin, and VINA_CHECK.

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Member Function Documentation

void axis_frame::set_derivative ( const vecp force_torque,
fl c 
) const
inline

References axis.

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

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
inlineinherited

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 atom_frame::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

mat frame::orientation_m
protectedinherited
qt frame::orientation_q
protectedinherited

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