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numeric::geometry::hashing::xyzStripeHash Class Reference

#include <xyzStripeHash.hh>

Inheritance diagram for numeric::geometry::hashing::xyzStripeHash:
Inheritance graph
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Classes

struct  const_iterator
 
struct  iter_base
 
struct  ushort2
 

Public Types

typedef unsigned short ushort
 
typedef numeric::xyzVector< floatVec
 

Public Member Functions

 xyzStripeHash (float grid_size=0.0, utility::vector1< Ball > const &balls=utility::vector1< Ball >())
 
void init (utility::vector1< Ball > const &balls)
 
 ~xyzStripeHash () override
 
const_iterator begin () const
 
const_iterator end () const
 
bool sanity_check () const
 
std::string debug_pdb (Xform const &x=numeric::Xform::identity()) const
 
int nbcount (Vec const &v_in) const
 
int nbcount_raw (Vec const &v) const
 
bool clash (Vec const &v_in) const
 
bool clash_not_resid (Vec const &v_in, int const &resid, int const &resid2=0) const
 
bool clash_raw (Vec const &v) const
 
float clash_amount (Vec const &v_in) const
 
int clash_check_ball (Ball const &b) const
 
bool clash_check_residue_pairs (utility::vector1< Ball > const &test_balls, std::map< Size, Size > &residue_pairs) const
 
void fill_pairs (xyzVector_float const &v, int const &ir, utility::vector1< std::pair< int, int > > &pairs, float maxd2=0.0) const
 
template<typename Visitor >
void visit (Vec const &v_in, Visitor &visitor) const
 
template<typename Visitor >
void visit_lax (Vec const &v_in, float const vr, Visitor &visitor) const
 
Ball const * grid_atoms () const
 
Size size () const
 
int natom () const
 
int xdim () const
 
int ydim () const
 
int zdim () const
 
float grid_size () const
 
float grid_size2 () const
 
xyzVector_float const & translation () const
 
xyzVector< Realtranslation_real () const
 
ushort2 const * grid_stripe () const
 
Ball const & ball (Size const &ib) const
 
xyzVector_float xyz (Size const &ib) const
 
Size resi (Size const &ib) const
 
- Public Member Functions inherited from utility::VirtualBase
 VirtualBase ()=default
 Default constructor. More...
 
virtual ~VirtualBase ()=default
 The virtual destructor is one of the main reasons for the VirtualBase class. More...
 
 VirtualBase (VirtualBase const &)=default
 
 VirtualBase (VirtualBase &&)=default
 
VirtualBaseoperator= (VirtualBase const &)=default
 
VirtualBaseoperator= (VirtualBase &&)=default
 

Private Member Functions

short short_min (short const a, short const b)
 
short short_max (short const a, short const b)
 
short ushort_min (unsigned short const a, unsigned short const b)
 
short ushort_max (unsigned short const a, unsigned short const b)
 

Private Attributes

float grid_size_
 
float grid_size2_
 
int nballs_
 
Ball const * grid_balls_
 
ushort2 const * grid_stripe_
 
int xdim_
 
int ydim_
 
int zdim_
 
float xmx_
 
float ymx_
 
float zmx_
 
numeric::xyzVector< floattranslation_
 

Member Typedef Documentation

Constructor & Destructor Documentation

numeric::geometry::hashing::xyzStripeHash::xyzStripeHash ( float  grid_size = 0.0,
utility::vector1< Ball > const &  balls = utility::vector1<Ball>() 
)

References init().

numeric::geometry::hashing::xyzStripeHash::~xyzStripeHash ( )
inlineoverride

References grid_balls_, and grid_stripe_.

Member Function Documentation

Ball const& numeric::geometry::hashing::xyzStripeHash::ball ( Size const &  ib) const
inline

References grid_balls_, and nballs_.

Referenced by clash_check_residue_pairs().

const_iterator numeric::geometry::hashing::xyzStripeHash::begin ( ) const
inline

References grid_balls_.

bool numeric::geometry::hashing::xyzStripeHash::clash ( Vec const &  v_in) const
float numeric::geometry::hashing::xyzStripeHash::clash_amount ( Vec const &  v_in) const
int numeric::geometry::hashing::xyzStripeHash::clash_check_ball ( Ball const &  b) const
bool numeric::geometry::hashing::xyzStripeHash::clash_check_residue_pairs ( utility::vector1< Ball > const &  test_balls,
std::map< Size, Size > &  residue_pairs 
) const
bool numeric::geometry::hashing::xyzStripeHash::clash_not_resid ( Vec const &  v_in,
int const &  resid,
int const &  resid2 = 0 
) const
bool numeric::geometry::hashing::xyzStripeHash::clash_raw ( Vec const &  v) const
std::string numeric::geometry::hashing::xyzStripeHash::debug_pdb ( Xform const &  x = numeric::Xform::identity()) const
const_iterator numeric::geometry::hashing::xyzStripeHash::end ( ) const
inline

References grid_balls_, and nballs_.

void numeric::geometry::hashing::xyzStripeHash::fill_pairs ( xyzVector_float const &  v,
int const &  ir,
utility::vector1< std::pair< int, int > > &  pairs,
float  maxd2 = 0.0 
) const
Ball const* numeric::geometry::hashing::xyzStripeHash::grid_atoms ( ) const
inline

References grid_balls_.

float numeric::geometry::hashing::xyzStripeHash::grid_size ( ) const
inline

References grid_size_.

float numeric::geometry::hashing::xyzStripeHash::grid_size2 ( ) const
inline

References grid_size2_.

ushort2 const* numeric::geometry::hashing::xyzStripeHash::grid_stripe ( ) const
inline

References grid_stripe_.

void numeric::geometry::hashing::xyzStripeHash::init ( utility::vector1< Ball > const &  balls)
int numeric::geometry::hashing::xyzStripeHash::natom ( ) const
inline

References nballs_.

int numeric::geometry::hashing::xyzStripeHash::nbcount ( Vec const &  v_in) const
int numeric::geometry::hashing::xyzStripeHash::nbcount_raw ( Vec const &  v) const
Size numeric::geometry::hashing::xyzStripeHash::resi ( Size const &  ib) const
inline
bool numeric::geometry::hashing::xyzStripeHash::sanity_check ( ) const
short numeric::geometry::hashing::xyzStripeHash::short_max ( short const  a,
short const  b 
)
inlineprivate
short numeric::geometry::hashing::xyzStripeHash::short_min ( short const  a,
short const  b 
)
inlineprivate
Size numeric::geometry::hashing::xyzStripeHash::size ( ) const
inline

References nballs_.

xyzVector_float const& numeric::geometry::hashing::xyzStripeHash::translation ( ) const
inline

References translation_.

xyzVector<Real> numeric::geometry::hashing::xyzStripeHash::translation_real ( ) const
inline
short numeric::geometry::hashing::xyzStripeHash::ushort_max ( unsigned short const  a,
unsigned short const  b 
)
inlineprivate
short numeric::geometry::hashing::xyzStripeHash::ushort_min ( unsigned short const  a,
unsigned short const  b 
)
inlineprivate
template<typename Visitor >
void numeric::geometry::hashing::xyzStripeHash::visit ( Vec const &  v_in,
Visitor &  visitor 
) const
inline
template<typename Visitor >
void numeric::geometry::hashing::xyzStripeHash::visit_lax ( Vec const &  v_in,
float const  vr,
Visitor &  visitor 
) const
inline
int numeric::geometry::hashing::xyzStripeHash::xdim ( ) const
inline

References xdim_.

xyzVector_float numeric::geometry::hashing::xyzStripeHash::xyz ( Size const &  ib) const
inline
int numeric::geometry::hashing::xyzStripeHash::ydim ( ) const
inline

References ydim_.

int numeric::geometry::hashing::xyzStripeHash::zdim ( ) const
inline

References zdim_.

Member Data Documentation

Ball const* numeric::geometry::hashing::xyzStripeHash::grid_balls_
private
float numeric::geometry::hashing::xyzStripeHash::grid_size2_
private
float numeric::geometry::hashing::xyzStripeHash::grid_size_
private
ushort2 const* numeric::geometry::hashing::xyzStripeHash::grid_stripe_
private
int numeric::geometry::hashing::xyzStripeHash::nballs_
private

Referenced by ball(), debug_pdb(), end(), init(), natom(), resi(), size(), and xyz().

numeric::xyzVector<float> numeric::geometry::hashing::xyzStripeHash::translation_
private
int numeric::geometry::hashing::xyzStripeHash::xdim_
private
float numeric::geometry::hashing::xyzStripeHash::xmx_
private
int numeric::geometry::hashing::xyzStripeHash::ydim_
private
float numeric::geometry::hashing::xyzStripeHash::ymx_
private
int numeric::geometry::hashing::xyzStripeHash::zdim_
private
float numeric::geometry::hashing::xyzStripeHash::zmx_
private

The documentation for this class was generated from the following files: