BALL 1.5.0
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Classes | Namespaces | Macros | Variables
poseClustering.h File Reference
#include <BALL/DATATYPE/options.h>
#include <BALL/DOCKING/COMMON/conformationSet.h>
#include <BALL/MOLMEC/COMMON/snapShot.h>
#include <BALL/STRUCTURE/atomBijection.h>
#include <BALL/KERNEL/system.h>
#include <BALL/DATATYPE/string.h>
#include <BALL/MATHS/vector3.h>
#include <BALL/MATHS/matrix44.h>
#include <Eigen/Core>
#include <boost/shared_ptr.hpp>
#include <boost/variant.hpp>
#include <boost/graph/adjacency_list.hpp>
#include <set>
#include <iostream>

Go to the source code of this file.

Classes

class  BALL::PoseClustering
 Computation of clusters of docking poses. More...
 
struct  BALL::PoseClustering::Option
 Option names. More...
 
struct  BALL::PoseClustering::Default
 Default values for options. More...
 
class  BALL::PoseClustering::RigidTransformation
 
class  BALL::PoseClustering::PosePointer
 
class  BALL::PoseClustering::ClusterProperties
 
class  BALL::PoseClustering::ClusterTreeWriter_
 
class  BALL::PoseClustering::ClusterTreeNodeComparator
 

Namespaces

namespace  BALL
 

Macros

#define BOOST_NO_CXX11_DEFAULTED_FUNCTIONS
 

Variables

 SNAPSHOT_RMSD
 
 RIGID_RMSD
 
 C_ALPHA
 
 HEAVY_ATOMS
 
 BACKBONE
 
 ALL_ATOMS
 
 TRIVIAL_COMPLETE_LINKAGE
 
 SLINK_SIBSON
 
 CLINK_DEFAYS
 
 NEAREST_NEIGHBOR_CHAIN_WARD
 

Macro Definition Documentation

◆ BOOST_NO_CXX11_DEFAULTED_FUNCTIONS

#define BOOST_NO_CXX11_DEFAULTED_FUNCTIONS

Definition at line 49 of file poseClustering.h.

Variable Documentation

◆ ALL_ATOMS

ALL_ATOMS

Definition at line 180 of file poseClustering.h.

◆ BACKBONE

BACKBONE

Definition at line 179 of file poseClustering.h.

◆ C_ALPHA

C_ALPHA

Definition at line 177 of file poseClustering.h.

◆ CLINK_DEFAYS

CLINK_DEFAYS

Definition at line 188 of file poseClustering.h.

◆ HEAVY_ATOMS

HEAVY_ATOMS

Definition at line 178 of file poseClustering.h.

◆ NEAREST_NEIGHBOR_CHAIN_WARD

NEAREST_NEIGHBOR_CHAIN_WARD

Definition at line 189 of file poseClustering.h.

◆ RIGID_RMSD

RIGID_RMSD

Definition at line 171 of file poseClustering.h.

◆ SLINK_SIBSON

SLINK_SIBSON

Definition at line 187 of file poseClustering.h.

◆ SNAPSHOT_RMSD

SNAPSHOT_RMSD

Definition at line 170 of file poseClustering.h.

◆ TRIVIAL_COMPLETE_LINKAGE

TRIVIAL_COMPLETE_LINKAGE

Definition at line 186 of file poseClustering.h.