isct_test.cc File Reference

#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <core/id/AtomID.hh>
#include <core/import_pose/import_pose.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/kinematics/Stub.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <protocols/scoring/ImplicitFastClashCheck.hh>
#include <numeric/constants.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyz.io.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray3D.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <utility/string_util.hh>
#include <utility/vector1.hh>
#include <core/pose/init_id_map.hh>
#include <apps/pilot/will/will_util.ihh>

Classes
struct	IsctFast

Macros
#define	BIN   2.0

Typedefs
typedef numeric::xyzVector< core::Real >	Vec
typedef numeric::xyzMatrix< core::Real >	Mat

Functions
int	cbcount_vec (vector1< Vec > &cba, vector1< Vec > &cbb)
void	set_cb_pairs (vector1< Vec > &cba, vector1< Vec > &cbb)
Vec	randvec ()
int	pose_cbcount (Pose const &a, Pose const &b)
double	sicfast (vector1< Vec > pa, vector1< Vec > pb, Vec ori)
bool	grd_clash (Pose const &pose, core::kinematics::Stub const &stub, IsctFast &ifst)
bool	ifc_clash (Pose const &pose, core::kinematics::Stub const &stub, protocols::scoring::ImplicitFastClashCheck const &ifc)
bool	brt_clash (Pose const &pose, core::kinematics::Stub const &stub, Real clash_dis2=16.0)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("isct_test")

Macro Definition Documentation

BIN

#define BIN   2.0

Typedef Documentation

Mat

typedef numeric::xyzMatrix<core::Real> Mat

Vec

typedef numeric::xyzVector<core::Real> Vec

Function Documentation

brt_clash()

bool brt_clash	(	Pose const &	pose,
		core::kinematics::Stub const &	stub,
		Real	clash_dis2 = 16.0
	)

References numeric::xyzVector< T >::distance_squared(), beta_nonlocal::pose, and stub().

Referenced by main().

cbcount_vec()

int cbcount_vec	(	vector1< Vec > &	cba,
		vector1< Vec > &	cbb
	)

grd_clash()

bool grd_clash	(	Pose const &	pose,
		core::kinematics::Stub const &	stub,
		IsctFast &	ifst
	)

References stub(), and IsctFast::test().

Referenced by main().

ifc_clash()

bool ifc_clash	(	Pose const &	pose,
		core::kinematics::Stub const &	stub,
		protocols::scoring::ImplicitFastClashCheck const &	ifc
	)

References beta_nonlocal::pose, and stub().

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, brt_clash(), test.T009_Exceptions::e, kmeans_adaptive_kernel_density_bb_dependent_rotlib::fn, numeric::random::gaussian(), grd_clash(), ifc_clash(), basic::init(), N, basic::options::option, numeric::constants::d::pi, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, randvec(), numeric::rotation_matrix(), basic::options::OptionKeys::in::file::s, stub(), basic::options::TR, numeric::random::uniform(), utility_exit_with_message, and xform_pose().

pose_cbcount()

int pose_cbcount	(	Pose const &	a,
		Pose const &	b
	)

References a, compute_difference::b, count, create_a3b_hbs::i, and create_a3b_hbs::j.

randvec()

Vec randvec

(

)

References numeric::random::uniform(), and kmeans_adaptive_kernel_density_bb_dependent_rotlib::v.

Referenced by main().

set_cb_pairs()

void set_cb_pairs	(	vector1< Vec > &	cba,
		vector1< Vec > &	cbb
	)

References a, and compute_difference::b.

sicfast()

double sicfast	(	vector1< Vec >	pa,
		vector1< Vec >	pb,
		Vec	ori
	)

References BIN, measure_params::cross(), measure_params::dot(), 3d_histogram::dz, create_a3b_hbs::i, numeric::xyzMatrix< Real >::identity(), enumerate_junctions::int, create_a3b_hbs::j, create_a3b_hbs::k, extract_by_sidechain_sasa_score::l, max(), min(), adapt_rotamers::ori, rot, numeric::rotation_matrix(), xmn, xmx, ymn, and ymx.

Variable Documentation

TR

basic::Tracer TR("isct_test") ( "isct_test"  )

static