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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>

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

Macro Definition Documentation

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