VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

rigid_conf Struct Reference

#include <conf.h>

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Public Member Functions

 rigid_conf ()
 
void set_to_null ()
 
void increment (const rigid_change &c, fl factor)
 
void randomize (const vec &corner1, const vec &corner2, rng &generator)
 
bool too_close (const rigid_conf &c, fl position_cutoff, fl orientation_cutoff) const
 
void mutate_position (fl spread, rng &generator)
 
void mutate_orientation (fl spread, rng &generator)
 
void generate (fl position_spread, fl orientation_spread, fl rp, const rigid_conf *rs, rng &generator)
 
void apply (const vecv &in, vecv &out, sz begin, sz end) const
 
void print () const
 

Public Attributes

vec position
 
qt orientation
 

Private Member Functions

template<class Archive >
void serialize (Archive &ar, const unsigned version)
 

Friends

class boost::serialization::access
 

Constructor & Destructor Documentation

rigid_conf::rigid_conf ( )
inline

Member Function Documentation

void rigid_conf::set_to_null ( )
inline

References orientation, position, qt_identity(), and zero_vec().

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void rigid_conf::increment ( const rigid_change c,
fl  factor 
)
inline

References rigid_change::orientation, orientation, rigid_change::position, position, and quaternion_increment().

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void rigid_conf::randomize ( const vec corner1,
const vec corner2,
rng generator 
)
inline

References orientation, position, random_in_box(), and random_orientation().

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bool rigid_conf::too_close ( const rigid_conf c,
fl  position_cutoff,
fl  orientation_cutoff 
) const
inline

References orientation, position, quaternion_difference(), sqr(), and vec_distance_sqr().

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void rigid_conf::mutate_position ( fl  spread,
rng generator 
)
inline

References position, and random_inside_sphere().

Referenced by generate().

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void rigid_conf::mutate_orientation ( fl  spread,
rng generator 
)
inline

References orientation, quaternion_increment(), and random_inside_sphere().

Referenced by generate().

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void rigid_conf::generate ( fl  position_spread,
fl  orientation_spread,
fl  rp,
const rigid_conf rs,
rng generator 
)
inline

References mutate_orientation(), mutate_position(), orientation, position, and random_fl().

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void rigid_conf::apply ( const vecv in,
vecv out,
sz  begin,
sz  end 
) const
inline

References orientation, position, quaternion_to_r3(), and VINA_RANGE.

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void rigid_conf::print ( ) const
inline

References orientation, and position.

template<class Archive >
void rigid_conf::serialize ( Archive &  ar,
const unsigned  version 
)
inlineprivate

References orientation, and position.

Friends And Related Function Documentation

friend class boost::serialization::access
friend

Member Data Documentation


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