ClashCheck Struct Reference

Public Member Functions
	ClashCheck (Pose const &pose_in, Real clash_dis_in=-1.0)
void	init_clash_check (Real neighbor_cutoff)
bool	clash_check (Vec const &pp)
bool	clash_check_trimer (Pose &pose, Size refrsd)
bool	clash_check (Pose &pose, Size refrsd)
bool	clash_check (Stub &stub, Vec pos)
bool	clash_check_naive (Pose &pose)

Public Attributes
Pose const	pose_
utility::vector1< Vec >	points_
ObjexxFCL::FArray3D< vector1< Vec > >	cubes_
Vec	bbl_
Vec	bbu_
numeric::xyzTriple< platform::Size >	cube_dim_
Real	side_inv_
Real	neighbor_cutoff_
Real	neighbor_cutoff_sq_

Constructor & Destructor Documentation

ClashCheck()

ClashCheck::ClashCheck ( Pose const &  pose_in, Real  clash_dis_in = -1.0  )

inline

References basic::options::OptionKeys::crossmatch::clash_dis, init_clash_check(), and basic::options::option.

Member Function Documentation

clash_check() [1/3]

bool ClashCheck::clash_check ( Pose &  pose, Size  refrsd  )

inline

References clash_check(), create_a3b_hbs::i, beta_nonlocal::pose, pose_, and basic::options::OptionKeys::in::file::xyz.

clash_check() [2/3]

bool ClashCheck::clash_check ( Stub &  stub, Vec  pos  )

inline

References clash_check(), make_symmdef_file_denovo::pos, pose_, and stub().

clash_check() [3/3]

bool ClashCheck::clash_check ( Vec const &  pp )

inline

References bbl_, begin, cube_dim_, cubes_, numeric::distance_squared(), end, subloop_histogram::iterator, create_a3b_hbs::j, max(), min(), neighbor_cutoff_sq_, side_inv_, subloop_histogram::size, numeric::xyzTriple< T >::x(), numeric::xyzVector< T >::x(), numeric::xyzTriple< T >::y(), numeric::xyzVector< T >::y(), numeric::xyzTriple< T >::z(), and numeric::xyzVector< T >::z().

Referenced by clash_check(), clash_check_trimer(), and doit().

clash_check_naive()

bool ClashCheck::clash_check_naive ( Pose &  pose )

inline

References numeric::distance_squared(), create_a3b_hbs::i, create_a3b_hbs::j, neighbor_cutoff_sq_, and beta_nonlocal::pose.

clash_check_trimer()

bool ClashCheck::clash_check_trimer ( Pose &  pose, Size  refrsd  )

inline

References clash_check(), create_a3b_hbs::i, subloop_histogram::iterator, points_, beta_nonlocal::pose, pose_, rot, numeric::rotation_matrix_degrees(), and basic::options::OptionKeys::in::file::xyz.

init_clash_check()

void ClashCheck::init_clash_check ( Real  neighbor_cutoff )

inline

References bbl_, bbu_, cube_dim_, cubes_, create_a3b_hbs::i, create_a3b_hbs::ii, create_a3b_hbs::j, numeric::max(), numeric::xyzVector< T >::max(), numeric::min(), numeric::xyzVector< T >::min(), basic::options::OptionKeys::legacy_sewing::neighbor_cutoff, neighbor_cutoff_, neighbor_cutoff_sq_, points_, pose_, test.T300_PyJobDistributor::pp, side_inv_, numeric::square(), numeric::xyzTriple< T >::x(), numeric::xyzVector< T >::x(), numeric::xyzTriple< T >::y(), numeric::xyzVector< T >::y(), numeric::xyzTriple< T >::z(), and numeric::xyzVector< T >::z().

Referenced by ClashCheck().

Member Data Documentation

bbl_

Vec ClashCheck::bbl_

Referenced by clash_check(), and init_clash_check().

bbu_

Vec ClashCheck::bbu_

Referenced by init_clash_check().

cube_dim_

numeric::xyzTriple< platform::Size > ClashCheck::cube_dim_

Referenced by clash_check(), and init_clash_check().

cubes_

ObjexxFCL::FArray3D< vector1<Vec> > ClashCheck::cubes_

Referenced by clash_check(), and init_clash_check().

neighbor_cutoff_

Real ClashCheck::neighbor_cutoff_

Referenced by init_clash_check().

neighbor_cutoff_sq_

Real ClashCheck::neighbor_cutoff_sq_

Referenced by clash_check(), clash_check_naive(), and init_clash_check().

points_

utility::vector1<Vec> ClashCheck::points_

Referenced by clash_check_trimer(), and init_clash_check().

pose_

Pose const ClashCheck::pose_

Referenced by clash_check(), clash_check_trimer(), init_clash_check(), and sidechain_cst_3.Residue::pose_num().

side_inv_

Real ClashCheck::side_inv_

Referenced by clash_check(), and init_clash_check().

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

• src/apps/pilot/will/old/rblinker.cc