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Public Member Functions | Private Attributes | List of all members
protocols::scoring::ImplicitFastClashCheck Class Reference

#include <ImplicitFastClashCheck.hh>

Inheritance diagram for protocols::scoring::ImplicitFastClashCheck:
Inheritance graph
[legend]

Public Member Functions

 ~ImplicitFastClashCheck () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 ImplicitFastClashCheck (core::pose::Pose const &pose_in, core::Real clash_dis)
 
 ImplicitFastClashCheck (core::pose::Pose const &pose_in, core::Real clash_dis, utility::vector1< core::Size > ignore)
 
 ImplicitFastClashCheck (utility::vector1< core::pose::Pose > const &poses_in, core::Real clash_dis, utility::vector1< core::Size > ignore)
 
void init_clash_check (utility::vector1< core::pose::Pose > const &poses, core::Real neighbor_cutoff, utility::vector1< core::Size > ignore)
 
bool clash_check (numeric::xyzVector< core::Real > const &pp) const
 
platform::uint clash_count (numeric::xyzVector< core::Real > const &pp) const
 
bool clash_check (numeric::xyzVector< core::Real > const &pp, core::Size resno) const
 
bool clash_check_trimer (core::pose::Pose const &pose, core::Size refrsd) const
 
void dump_debug_pdb (utility::io::ozstream &out, core::kinematics::Stub const &stub, char chain= 'Z') const
 
void dump_debug_pdb (std::string const &fname, core::kinematics::Stub const &stub, char chain= 'Z') const
 
bool clash_check_test (numeric::xyzVector< core::Real > const &pp) const
 
core::Size size ()
 

Private Attributes

core::pose::PoseCOP pose_
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
points_
 
utility::vector1< core::Sizeresno_
 
utility::vector1< core::Sizeatomno_
 
ObjexxFCL::FArray3D
< utility::vector1< unsigned
int > > 
cubes_
 
numeric::xyzVector< core::Realbbl_
 
numeric::xyzTriple< core::Sizecube_dim_
 
core::Real side_inv_
 
core::Real neighbor_cutoff_
 
core::Real neighbor_cutoff_sq_
 
ObjexxFCL::FArray3D
< utility::vector1
< numeric::xyzVector
< core::Real > > > 
cubes_ca_
 
numeric::xyzVector< core::Realbbl_ca_
 
numeric::xyzTriple< core::Sizecube_dim_ca_
 

Constructor & Destructor Documentation

protocols::scoring::ImplicitFastClashCheck::~ImplicitFastClashCheck ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

protocols::scoring::ImplicitFastClashCheck::ImplicitFastClashCheck ( core::pose::Pose const &  pose_in,
core::Real  clash_dis 
)
protocols::scoring::ImplicitFastClashCheck::ImplicitFastClashCheck ( core::pose::Pose const &  pose_in,
core::Real  clash_dis,
utility::vector1< core::Size ignore 
)
protocols::scoring::ImplicitFastClashCheck::ImplicitFastClashCheck ( utility::vector1< core::pose::Pose > const &  poses_in,
core::Real  clash_dis,
utility::vector1< core::Size ignore 
)

Member Function Documentation

bool protocols::scoring::ImplicitFastClashCheck::clash_check ( numeric::xyzVector< core::Real > const &  pp) const
bool protocols::scoring::ImplicitFastClashCheck::clash_check ( numeric::xyzVector< core::Real > const &  pp,
core::Size  resno 
) const
bool protocols::scoring::ImplicitFastClashCheck::clash_check_test ( numeric::xyzVector< core::Real > const &  pp) const
bool protocols::scoring::ImplicitFastClashCheck::clash_check_trimer ( core::pose::Pose const &  pose,
core::Size  refrsd 
) const
platform::uint protocols::scoring::ImplicitFastClashCheck::clash_count ( numeric::xyzVector< core::Real > const &  pp) const
void protocols::scoring::ImplicitFastClashCheck::dump_debug_pdb ( utility::io::ozstream &  out,
core::kinematics::Stub const &  stub,
char  chain = 'Z' 
) const
void protocols::scoring::ImplicitFastClashCheck::dump_debug_pdb ( std::string const &  fname,
core::kinematics::Stub const &  stub,
char  chain = 'Z' 
) const
void protocols::scoring::ImplicitFastClashCheck::init_clash_check ( utility::vector1< core::pose::Pose > const &  poses,
core::Real  neighbor_cutoff,
utility::vector1< core::Size ignore 
)
core::Size protocols::scoring::ImplicitFastClashCheck::size ( )
inline

References points_.

Member Data Documentation

utility::vector1<core::Size> protocols::scoring::ImplicitFastClashCheck::atomno_
private
numeric::xyzVector<core::Real> protocols::scoring::ImplicitFastClashCheck::bbl_
private
numeric::xyzVector<core::Real> protocols::scoring::ImplicitFastClashCheck::bbl_ca_
private
numeric::xyzTriple< core::Size > protocols::scoring::ImplicitFastClashCheck::cube_dim_
private
numeric::xyzTriple< core::Size > protocols::scoring::ImplicitFastClashCheck::cube_dim_ca_
private
ObjexxFCL::FArray3D< utility::vector1<unsigned int> > protocols::scoring::ImplicitFastClashCheck::cubes_
private
ObjexxFCL::FArray3D< utility::vector1<numeric::xyzVector<core::Real> > > protocols::scoring::ImplicitFastClashCheck::cubes_ca_
private
core::Real protocols::scoring::ImplicitFastClashCheck::neighbor_cutoff_
private
core::Real protocols::scoring::ImplicitFastClashCheck::neighbor_cutoff_sq_
private
utility::vector1<numeric::xyzVector<core::Real> > protocols::scoring::ImplicitFastClashCheck::points_
private

Referenced by size().

core::pose::PoseCOP protocols::scoring::ImplicitFastClashCheck::pose_
private
utility::vector1<core::Size> protocols::scoring::ImplicitFastClashCheck::resno_
private
core::Real protocols::scoring::ImplicitFastClashCheck::side_inv_
private

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