ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Holds the result and parameters of a cluster analysis. More...
#include <ClusterStructure.hpp>
Public Member Functions | |
ClusterStructure () | |
void | clear () |
Clear data structures. | |
void | run_for_all_pairs () |
Run cluster analysis, consider all particle pairs. | |
void | run_for_bonded_particles () |
Run cluster analysis, consider pairs of particles connected by a bonded interaction. | |
bool | part_of_cluster (const Particle &p) |
Is particle p part of a cluster. | |
void | set_pair_criterion (std::shared_ptr< PairCriteria::PairCriterion > const &c) |
Sets the pair criterion which decides if two particles are neighbors. | |
PairCriteria::PairCriterion const & | pair_criterion () const |
void | attach (std::weak_ptr< BoxGeometry const > const &box_geo) |
Public Attributes | |
std::map< int, std::shared_ptr< Cluster > > | clusters |
Map holding the individual clusters. | |
std::map< int, int > | cluster_id |
Map between particle ids and corresponding cluster ids. | |
Holds the result and parameters of a cluster analysis.
Definition at line 34 of file core/cluster_analysis/ClusterStructure.hpp.
ClusterAnalysis::ClusterStructure::ClusterStructure | ( | ) |
Definition at line 37 of file ClusterStructure.cpp.
References clear().
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inline |
Definition at line 61 of file core/cluster_analysis/ClusterStructure.hpp.
void ClusterAnalysis::ClusterStructure::clear | ( | ) |
Clear data structures.
Definition at line 39 of file ClusterStructure.cpp.
References cluster_id, and clusters.
Referenced by ClusterStructure(), run_for_all_pairs(), and run_for_bonded_particles().
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inline |
Definition at line 57 of file core/cluster_analysis/ClusterStructure.hpp.
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inline |
Is particle p part of a cluster.
Definition at line 45 of file ClusterStructure.cpp.
References cluster_id, and Particle::id().
void ClusterAnalysis::ClusterStructure::run_for_all_pairs | ( | ) |
Run cluster analysis, consider all particle pairs.
Definition at line 50 of file ClusterStructure.cpp.
References clear(), and Utils::for_each_pair().
void ClusterAnalysis::ClusterStructure::run_for_bonded_particles | ( | ) |
Run cluster analysis, consider pairs of particles connected by a bonded interaction.
Definition at line 66 of file ClusterStructure.cpp.
References clear(), and get_particle_data().
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inline |
Sets the pair criterion which decides if two particles are neighbors.
Definition at line 53 of file core/cluster_analysis/ClusterStructure.hpp.
std::map<int, int> ClusterAnalysis::ClusterStructure::cluster_id |
Map between particle ids and corresponding cluster ids.
Definition at line 41 of file core/cluster_analysis/ClusterStructure.hpp.
Referenced by clear(), and part_of_cluster().
std::map<int, std::shared_ptr<Cluster> > ClusterAnalysis::ClusterStructure::clusters |
Map holding the individual clusters.
The key is an integer cluster id
Definition at line 39 of file core/cluster_analysis/ClusterStructure.hpp.
Referenced by clear().