gpu_refold_test_cpu.hh File Reference

Typedefs
typedef float	Gfloat

Functions
void	refold_first (const float *tor, const uint *nres, float *N__xyz, float *CA_xyz, float *C__xyz, float *O__xyz, float *CB_xyz, float *H__xyz, float *CENxyz)
void	refold_second (const float *tor, const uint *nres, uint c, float *N__xyz, float *CA_xyz, float *C__xyz, float *O__xyz, float *CB_xyz, float *H__xyz, float *CENxyz)
void	refold_third (const float *tor, const uint *nres, float *N__xyz, float *CA_xyz, float *C__xyz, float *O__xyz, float *CB_xyz, float *H__xyz, float *CENxyz, const struct VEC *CB_LCOR, const struct VEC *CEN_LCOR, const uint *aas)

Variables
uint const	_N = 0u
uint const	CA = 3u
uint const	_C = 6u
uint const	Xi = 0u
uint const	Yi = 1u
uint const	Zi = 2u
Gfloat const	COS_C_N_CA = 0.5254717f
Gfloat const	SIN_C_N_CA = 0.8508111f
Gfloat const	COS_N_CA_C = 0.3616246f
Gfloat const	SIN_N_CA_C = 0.9323238f
Gfloat const	COS_CA_C_N = 0.4415059f
Gfloat const	SIN_CA_C_N = 0.8972584f
Gfloat const	DIS_N_CA = 1.4580010f
Gfloat const	DIS_CA_C = 1.5232580f
Gfloat const	DIS_C_N = 1.3286850f

Typedef Documentation

Gfloat

typedef float Gfloat

Function Documentation

refold_first()

void refold_first	(	const float *	tor,
		const uint *	nres,
		float *	N__xyz,
		float *	CA_xyz,
		float *	C__xyz,
		float *	O__xyz,
		float *	CB_xyz,
		float *	H__xyz,
		float *	CENxyz
	)

References test.Workshop2test::CA_xyz, COS_C_N_CA, COS_CA_C_N, COS_N_CA_C, DIS_C_N, DIS_CA_C, DIS_N_CA, get_global_id(), create_a3b_hbs::i, mad(), N, create_a3b_hbs::nres, SIN_C_N_CA, SIN_CA_C_N, SIN_N_CA_C, kmeans_adaptive_kernel_density_bb_dependent_rotlib::u, Xi, Yi, and Zi.

Referenced by gpu_refold_test().

refold_second()

void refold_second	(	const float *	tor,
		const uint *	nres,
		uint	c,
		float *	N__xyz,
		float *	CA_xyz,
		float *	C__xyz,
		float *	O__xyz,
		float *	CB_xyz,
		float *	H__xyz,
		float *	CENxyz
	)

References kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, test.Workshop2test::CA_xyz, cols(), crossvv(), get_global_id(), create_a3b_hbs::i, create_a3b_hbs::j, max(), multmm(), multmv(), N, normalizedv(), create_a3b_hbs::nres, pproj(), docking::R, rows(), basic::options::OptionKeys::cutoutdomain::start, kmeans_adaptive_kernel_density_bb_dependent_rotlib::u, oop_scan::v1, oop_scan::v2, vec(), VEC::x, Xi, VEC::y, Yi, VEC::z, and Zi.

Referenced by gpu_refold_test().

refold_third()

void refold_third	(	const float *	tor,
		const uint *	nres,
		float *	N__xyz,
		float *	CA_xyz,
		float *	C__xyz,
		float *	O__xyz,
		float *	CB_xyz,
		float *	H__xyz,
		float *	CENxyz,
		const struct VEC *	CB_LCOR,
		const struct VEC *	CEN_LCOR,
		const uint *	aas
	)

References test.Workshop2test::CA_xyz, get_global_id(), multxv(), create_a3b_hbs::nres, stub(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::u, vec(), VEC::x, VEC::y, and VEC::z.

Referenced by gpu_refold_test().

Variable Documentation

_C

uint const _C = 6u

_N

uint const _N = 0u

CA

uint const CA = 3u

COS_C_N_CA

Gfloat const COS_C_N_CA = 0.5254717f

Referenced by refold_first().

COS_CA_C_N

Gfloat const COS_CA_C_N = 0.4415059f

Referenced by refold_first().

COS_N_CA_C

Gfloat const COS_N_CA_C = 0.3616246f

Referenced by refold_first().

DIS_C_N

Gfloat const DIS_C_N = 1.3286850f

Referenced by refold_first().

DIS_CA_C

Gfloat const DIS_CA_C = 1.5232580f

Referenced by refold_first().

DIS_N_CA

Gfloat const DIS_N_CA = 1.4580010f

Referenced by refold_first().

SIN_C_N_CA

Gfloat const SIN_C_N_CA = 0.8508111f

Referenced by refold_first().

SIN_CA_C_N

Gfloat const SIN_CA_C_N = 0.8972584f

Referenced by refold_first().

SIN_N_CA_C

Gfloat const SIN_N_CA_C = 0.9323238f

Referenced by refold_first().

Xi

uint const Xi = 0u

Referenced by CrystFFTDock::get_interfaces_allatom(), main(), refold_first(), and refold_second().

Yi

uint const Yi = 1u

Referenced by refold_first(), and refold_second().

Zi

uint const Zi = 2u

Referenced by refold_first(), and refold_second().