numeric::geometry::hashing::xyzStripeHashWithMeta< T > Class Template Reference

#include <xyzStripeHashWithMeta.hh>

Inheritance diagram for numeric::geometry::hashing::xyzStripeHashWithMeta< T >:

Classes
struct	float4
struct	iter_base
struct	meta_iterator
struct	ushort2
struct	xyz_iterator
struct	xyzmeta_iterator

Public Types
typedef std::pair< numeric::xyzVector< T >, T >	VecandVal
typedef unsigned short	ushort
typedef numeric::xyzVector< T >	Vec

Public Member Functions
	xyzStripeHashWithMeta (T grid_size)
	xyzStripeHashWithMeta (T grid_size, utility::vector1< numeric::xyzVector< T > > const &atoms, utility::vector1< T > const &meta)
void	init (utility::vector1< numeric::xyzVector< T > > const &atoms, utility::vector1< T > const &meta)
	~xyzStripeHashWithMeta () override
xyz_iterator	xyz_begin () const
xyz_iterator	xyz_end () const
meta_iterator	meta_begin () const
meta_iterator	meta_end () const
xyzmeta_iterator	xyzmeta_begin () const
xyzmeta_iterator	xyzmeta_end () const
bool	sanity_check () const
int	nbcount (xyzVector< T > const &v_in) const
template<typename V >
void	visit (Vec const &v_in, T const &m_in, V &visitor) const
template<typename V >
void	visit_lax (Vec const &v_in, T const &m_in, V &visitor) const
float4 const *	grid_atoms () const
ushort2 const *	grid_stripe () const
int	natom () const
int	xdim () const
int	ydim () const
int	zdim () const
float	grid_size () const
const numeric::xyzVector< T >	translation () 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
VirtualBase &	operator= (VirtualBase const &)=default
VirtualBase &	operator= (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)
	xyzStripeHashWithMeta ()

Private Attributes
T const	grid_size_
T const	grid_size2_
int	natom_
float4 const *	grid_atoms_
ushort2 const *	grid_stripe_
int	xdim_
int	ydim_
int	zdim_
T	xmx_
T	ymx_
T	zmx_
numeric::xyzVector< T >	translation_

Member Typedef Documentation

ushort

template<typename T >

typedef unsigned short numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort

Vec

template<typename T >

typedef numeric::xyzVector<T> numeric::geometry::hashing::xyzStripeHashWithMeta< T >::Vec

VecandVal

template<typename T >

typedef std::pair<numeric::xyzVector<T>,T> numeric::geometry::hashing::xyzStripeHashWithMeta< T >::VecandVal

Constructor & Destructor Documentation

xyzStripeHashWithMeta() [1/3]

template<typename T >

numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzStripeHashWithMeta ( T  grid_size )

inline

xyzStripeHashWithMeta() [2/3]

template<typename T >

numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzStripeHashWithMeta ( T  grid_size, utility::vector1< numeric::xyzVector< T > > const &  atoms, utility::vector1< T > const &  meta  )

inline

References atoms, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init().

~xyzStripeHashWithMeta()

template<typename T >

numeric::geometry::hashing::xyzStripeHashWithMeta< T >::~xyzStripeHashWithMeta ( )

inlineoverride

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_.

xyzStripeHashWithMeta() [3/3]

template<typename T >

numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzStripeHashWithMeta ( )

private

Member Function Documentation

grid_atoms()

template<typename T >

float4 const* numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_.

grid_size()

template<typename T >

float numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_.

grid_stripe()

template<typename T >

ushort2 const* numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_.

init()

template<typename T >

void numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init ( utility::vector1< numeric::xyzVector< T > > const &  atoms, utility::vector1< T > const &  meta  )

inline

References atoms, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_, gsize, create_a3b_hbs::i, kmeans_adaptive_kernel_density_bb_dependent_rotlib::idx, enumerate_junctions::int, numeric::max(), numeric::min(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_, utility_exit_with_message, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::float4::w, x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::float4::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_, xmn, xmx, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xmx_, predPRE::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::float4::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_, ymn, ymx, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ymx_, predPRE::z, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::float4::z, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_, zmn, zmx, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zmx_.

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzStripeHashWithMeta().

meta_begin()

template<typename T >

meta_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::meta_begin ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_.

meta_end()

template<typename T >

meta_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::meta_end ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_.

natom()

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_.

nbcount()

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount ( xyzVector< T > const &  v_in ) const

inline

References docking::a2, count, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size2_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_, create_a3b_hbs::i, numeric::max(), numeric::min(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_, kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xmx_, predPRE::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ymx_, predPRE::z, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zmx_.

sanity_check()

template<typename T >

bool numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check ( ) const

inline

References run_backbone::float, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_, create_a3b_hbs::i, utility_exit_with_message, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_, predPRE::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_, predPRE::z, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_.

short_max()

template<typename T >

short numeric::geometry::hashing::xyzStripeHashWithMeta< T >::short_max ( short const  a, short const  b  )

inlineprivate

References a, and compute_difference::b.

short_min()

template<typename T >

short numeric::geometry::hashing::xyzStripeHashWithMeta< T >::short_min ( short const  a, short const  b  )

inlineprivate

References a, and compute_difference::b.

translation()

template<typename T >

const numeric::xyzVector<T> numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_.

ushort_max()

template<typename T >

short numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort_max ( unsigned short const  a, unsigned short const  b  )

inlineprivate

References a, and compute_difference::b.

ushort_min()

template<typename T >

short numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort_min ( unsigned short const  a, unsigned short const  b  )

inlineprivate

References a, and compute_difference::b.

visit()

template<typename T >

template<typename V >

void numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit ( Vec const &  v_in, T const &  m_in, V &  visitor  ) const

inline

References kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size2_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_, create_a3b_hbs::i, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, numeric::max(), numeric::min(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_, kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, w, x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xmx_, predPRE::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ymx_, predPRE::z, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zmx_.

visit_lax()

template<typename T >

template<typename V >

void numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax ( Vec const &  v_in, T const &  m_in, V &  visitor  ) const

inline

References kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_, create_a3b_hbs::i, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, numeric::max(), numeric::min(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_, kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, w, x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::x, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xmx_, predPRE::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ushort2::y, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ymx_, predPRE::z, numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zmx_.

xdim()

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_.

xyz_begin()

template<typename T >

xyz_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyz_begin ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_.

xyz_end()

template<typename T >

xyz_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyz_end ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_.

xyzmeta_begin()

template<typename T >

xyzmeta_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzmeta_begin ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_.

xyzmeta_end()

template<typename T >

xyzmeta_iterator numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzmeta_end ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_, and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_.

ydim()

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_.

zdim()

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim ( ) const

inline

References numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_.

Member Data Documentation

grid_atoms_

template<typename T >

float4 const* numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_atoms(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::meta_begin(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::meta_end(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyz_begin(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyz_end(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzmeta_begin(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzmeta_end(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::~xyzStripeHashWithMeta().

grid_size2_

template<typename T >

T const numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size2_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit().

grid_size_

template<typename T >

T const numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_size(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax().

grid_stripe_

template<typename T >

ushort2 const* numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::grid_stripe(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::~xyzStripeHashWithMeta().

natom_

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::meta_end(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::natom(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyz_end(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xyzmeta_end().

translation_

template<typename T >

numeric::xyzVector<T> numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::translation(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax().

xdim_

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xdim().

xmx_

template<typename T >

T numeric::geometry::hashing::xyzStripeHashWithMeta< T >::xmx_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax().

ydim_

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ydim().

ymx_

template<typename T >

T numeric::geometry::hashing::xyzStripeHashWithMeta< T >::ymx_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax().

zdim_

template<typename T >

int numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zdim().

zmx_

template<typename T >

T numeric::geometry::hashing::xyzStripeHashWithMeta< T >::zmx_

private

Referenced by numeric::geometry::hashing::xyzStripeHashWithMeta< T >::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit(), and numeric::geometry::hashing::xyzStripeHashWithMeta< T >::visit_lax().

---

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

• src/numeric/geometry/hashing/xyzStripeHashWithMeta.fwd.hh
• src/numeric/geometry/hashing/xyzStripeHashWithMeta.hh