ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
Public Member Functions | Public Attributes | List of all members
CollisionDetection::GlueToSurface Class Reference

#include <GlueToSurface.hpp>

Public Member Functions

 GlueToSurface (double distance, int bond_centers, int bond_vs, int part_type_vs, double dist_glued_part_to_vs, int part_type_to_be_glued, int part_type_to_attach_vs_to, int part_type_after_glueing)
 
void initialize (System::System &system)
 
auto cutoff () const
 
bool glue_to_surface_criterion (Particle const &p1, Particle const &p2) const
 Check additional criteria for the glue_to_surface collision mode.
 
void handle_collisions (System::System &system, std::vector< CollisionPair > &local_collision_queue)
 
bool detect_collision (Particle const &p1, Particle const &p2, double const dist_sq) const
 

Public Attributes

double distance
 Distance at which particle are bound.
 
double distance_sq
 Square of distance at which particle are bound.
 
int bond_centers
 bond type used between centers of colliding particles
 
int bond_vs
 bond type used between virtual sites
 
int part_type_vs
 particle type for virtual sites created on collision
 
double dist_glued_part_to_vs
 Distance from the particle which is to be glued to the new virtual site.
 
int part_type_to_be_glued
 The particle type being glued (the small particle)
 
int part_type_to_attach_vs_to
 The particle type to which virtuals site are attached (the large particle)
 
int part_type_after_glueing
 Particle type to which the newly glued particle is converted.
 

Detailed Description

Definition at line 37 of file core/collision_detection/GlueToSurface.hpp.

Constructor & Destructor Documentation

◆ GlueToSurface()

CollisionDetection::GlueToSurface::GlueToSurface ( double  distance,
int  bond_centers,
int  bond_vs,
int  part_type_vs,
double  dist_glued_part_to_vs,
int  part_type_to_be_glued,
int  part_type_to_attach_vs_to,
int  part_type_after_glueing 
)
inline

Definition at line 58 of file core/collision_detection/GlueToSurface.hpp.

Member Function Documentation

◆ cutoff()

auto CollisionDetection::GlueToSurface::cutoff ( ) const
inline

Definition at line 72 of file core/collision_detection/GlueToSurface.hpp.

References distance.

◆ detect_collision()

bool CollisionDetection::GlueToSurface::detect_collision ( Particle const &  p1,
Particle const &  p2,
double const  dist_sq 
) const
inline

Definition at line 85 of file core/collision_detection/GlueToSurface.hpp.

References bond_centers, CollisionDetection::detect_collision_common(), distance_sq, and glue_to_surface_criterion().

◆ glue_to_surface_criterion()

bool CollisionDetection::GlueToSurface::glue_to_surface_criterion ( Particle const &  p1,
Particle const &  p2 
) const
inline

Check additional criteria for the glue_to_surface collision mode.

Definition at line 75 of file core/collision_detection/GlueToSurface.hpp.

References part_type_to_attach_vs_to, part_type_to_be_glued, and Particle::type().

Referenced by detect_collision().

◆ handle_collisions()

void CollisionDetection::GlueToSurface::handle_collisions ( System::System &  system,
std::vector< CollisionPair > &  local_collision_queue 
)

Definition at line 86 of file GlueToSurface.cpp.

References Utils::Mpi::all_compare(), bond_centers, bond_vs, Particle::bonds(), System::System::box_geo, System::System::cell_structure, comm_cart, Cells::DATA_PART_BONDS, Cells::DATA_PART_PROPERTIES, dist_glued_part_to_vs, CollisionDetection::gather_collision_queue(), System::System::get_min_global_cut(), CollisionDetection::get_part(), Particle::is_ghost(), part_type_after_glueing, part_type_to_attach_vs_to, part_type_to_be_glued, part_type_vs, CollisionDetection::place_vs_and_relate_to_particle(), Particle::pos(), Cells::RESORT_GLOBAL, Particle::type(), and System::System::update_used_propagations().

◆ initialize()

void CollisionDetection::GlueToSurface::initialize ( System::System &  system)

Definition at line 53 of file GlueToSurface.cpp.

References distance, distance_sq, System::System::nonbonded_ias, part_type_after_glueing, part_type_to_attach_vs_to, part_type_to_be_glued, part_type_vs, and Utils::sqr().

Member Data Documentation

◆ bond_centers

int CollisionDetection::GlueToSurface::bond_centers

bond type used between centers of colliding particles

Definition at line 44 of file core/collision_detection/GlueToSurface.hpp.

Referenced by detect_collision(), and handle_collisions().

◆ bond_vs

int CollisionDetection::GlueToSurface::bond_vs

bond type used between virtual sites

Definition at line 46 of file core/collision_detection/GlueToSurface.hpp.

Referenced by handle_collisions().

◆ dist_glued_part_to_vs

double CollisionDetection::GlueToSurface::dist_glued_part_to_vs

Distance from the particle which is to be glued to the new virtual site.

Definition at line 50 of file core/collision_detection/GlueToSurface.hpp.

Referenced by handle_collisions().

◆ distance

double CollisionDetection::GlueToSurface::distance

Distance at which particle are bound.

Definition at line 40 of file core/collision_detection/GlueToSurface.hpp.

Referenced by cutoff(), and initialize().

◆ distance_sq

double CollisionDetection::GlueToSurface::distance_sq

Square of distance at which particle are bound.

Definition at line 42 of file core/collision_detection/GlueToSurface.hpp.

Referenced by detect_collision(), and initialize().

◆ part_type_after_glueing

int CollisionDetection::GlueToSurface::part_type_after_glueing

Particle type to which the newly glued particle is converted.

Definition at line 56 of file core/collision_detection/GlueToSurface.hpp.

Referenced by handle_collisions(), and initialize().

◆ part_type_to_attach_vs_to

int CollisionDetection::GlueToSurface::part_type_to_attach_vs_to

The particle type to which virtuals site are attached (the large particle)

Definition at line 54 of file core/collision_detection/GlueToSurface.hpp.

Referenced by glue_to_surface_criterion(), handle_collisions(), and initialize().

◆ part_type_to_be_glued

int CollisionDetection::GlueToSurface::part_type_to_be_glued

The particle type being glued (the small particle)

Definition at line 52 of file core/collision_detection/GlueToSurface.hpp.

Referenced by glue_to_surface_criterion(), handle_collisions(), and initialize().

◆ part_type_vs

int CollisionDetection::GlueToSurface::part_type_vs

particle type for virtual sites created on collision

Definition at line 48 of file core/collision_detection/GlueToSurface.hpp.

Referenced by handle_collisions(), and initialize().

The documentation for this class was generated from the following files: