Fingerprint.hh File Reference

protocols::pockets::Fingerprint header More...

#include <utility/pointer/ReferenceCount.hh>
#include <protocols/pockets/Fingerprint.fwd.hh>
#include <protocols/pockets/PocketGrid.fwd.hh>
#include <protocols/pockets/FingerprintMultifunc.hh>
#include <protocols/pockets/DarcParticleSwarmMinimizer.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <numeric/constants.hh>
#include <numeric/xyzVector.hh>
#include <utility/vector1_bool.hh>
#include <list>
#include <cmath>
#include <iostream>
#include <utility/vector1.hh>
#include <basic/gpu/GPU.hh>

Go to the source code of this file.

Classes
struct	protocols::pockets::spherical_coor_triplet
struct	protocols::pockets::ray_distance_derivs
class	protocols::pockets::FingerprintBase
class	protocols::pockets::NonPlaidFingerprint
struct	protocols::pockets::NonPlaidFingerprint::float4
class	protocols::pockets::PlaidFingerprint

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::pockets

Constant Groups
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::pockets

Macros
#define	NUMBER_OF_PARTICLES   200
#define	ATOMS_ARRAY   20000
#define	RAY_SCORE_ARRAY   2500000
#define	MAX_NUM_RAYS   100000

Functions
void	protocols::pockets::convert_cartesian_to_spherical_coor_triplet (numeric::xyzVector< core::Real > const &coord, spherical_coor_triplet &triplet)
void	protocols::pockets::convert_spherical_coor_triplet_to_cartesian (spherical_coor_triplet const &triplet, numeric::xyzVector< core::Real > &coord)
double	protocols::pockets::dD_dv1 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv2 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv3 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv4 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double, const double, const double yc, const double ys, const double zc, const double zs)
double	protocols::pockets::dD_dv5 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double xc, const double xs, const double yc, const double ys, const double zc, const double zs)
double	protocols::pockets::dD_dv6 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double xc, const double xs, const double yc, const double ys, const double zc, const double zs)
core::Real	protocols::pockets::Find_Closest_Intersect_SQ (core::Real const &phiAngle, core::Real const &psiAngle, core::Real const &atomX, core::Real const &atomY, core::Real const &atomZ, core::Real const &atom_radius)

Detailed Description

protocols::pockets::Fingerprint header

Author

Ragul Gowthaman

Definition in file Fingerprint.hh.

Macro Definition Documentation

#define ATOMS_ARRAY   20000

Definition at line 35 of file Fingerprint.hh.

#define MAX_NUM_RAYS   100000

Definition at line 37 of file Fingerprint.hh.

#define NUMBER_OF_PARTICLES   200

Definition at line 34 of file Fingerprint.hh.

#define RAY_SCORE_ARRAY   2500000

Definition at line 36 of file Fingerprint.hh.