ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Public Types | Public Member Functions | Public Attributes | List of all members
LocalBondState Struct Reference

#include <LocalBondState.hpp>

+ Collaboration diagram for LocalBondState:

Public Types

using PairBondlistType = Kokkos::View< int *[2], Kokkos::LayoutRight >
 
using PairBondIDType = Kokkos::View< int *, Kokkos::LayoutRight >
 
using AngleBondlistType = Kokkos::View< int *[3], Kokkos::LayoutRight >
 
using AngleBondIDType = Kokkos::View< int *, Kokkos::LayoutRight >
 
using DihedralBondlistType = Kokkos::View< int *[4], Kokkos::LayoutRight >
 
using DihedralBondIDType = Kokkos::View< int *, Kokkos::LayoutRight >
 

Public Member Functions

void reset_counts ()
 
void set_counts (int p, int a, int d)
 
void allocate ()
 Allocate or reallocate all Kokkos Views to current counts.
 
void clear ()
 Deallocates Views.
 
void reset ()
 Reset counts + collision vectors.
 
void clear_new_bonds ()
 
void add_new_bond (int bond_id, std::vector< int > const &particle_ids, Kokkos::View< int * > const &id_to_index)
 
void rebuild ()
 

Public Attributes

int pair_count = 0
 
int angle_count = 0
 
int dihedral_count = 0
 
PairBondlistType pair_list
 
PairBondIDType pair_ids
 
AngleBondlistType angle_list
 
AngleBondIDType angle_ids
 
DihedralBondlistType dihedral_list
 
DihedralBondIDType dihedral_ids
 
std::vector< int > new_pair_list
 
std::vector< int > new_pair_ids
 
std::vector< int > new_angle_list
 
std::vector< int > new_angle_ids
 
std::vector< int > new_dihedral_list
 
std::vector< int > new_dihedral_ids
 

Detailed Description

Definition at line 28 of file LocalBondState.hpp.

Member Typedef Documentation

◆ AngleBondIDType

using LocalBondState::AngleBondIDType = Kokkos::View<int *, Kokkos::LayoutRight>

Definition at line 32 of file LocalBondState.hpp.

◆ AngleBondlistType

using LocalBondState::AngleBondlistType = Kokkos::View<int *[3], Kokkos::LayoutRight>

Definition at line 31 of file LocalBondState.hpp.

◆ DihedralBondIDType

using LocalBondState::DihedralBondIDType = Kokkos::View<int *, Kokkos::LayoutRight>

Definition at line 34 of file LocalBondState.hpp.

◆ DihedralBondlistType

using LocalBondState::DihedralBondlistType = Kokkos::View<int *[4], Kokkos::LayoutRight>

Definition at line 33 of file LocalBondState.hpp.

◆ PairBondIDType

using LocalBondState::PairBondIDType = Kokkos::View<int *, Kokkos::LayoutRight>

Definition at line 30 of file LocalBondState.hpp.

◆ PairBondlistType

using LocalBondState::PairBondlistType = Kokkos::View<int *[2], Kokkos::LayoutRight>

Definition at line 29 of file LocalBondState.hpp.

Member Function Documentation

◆ add_new_bond()

void LocalBondState::add_new_bond ( int  bond_id,
std::vector< int > const &  particle_ids,
Kokkos::View< int * > const &  id_to_index 
)

Definition at line 88 of file LocalBondState.cpp.

References angle_count, dihedral_count, new_angle_ids, new_angle_list, new_dihedral_ids, new_dihedral_list, new_pair_ids, new_pair_list, and pair_count.

◆ allocate()

void LocalBondState::allocate ( )

Allocate or reallocate all Kokkos Views to current counts.

Definition at line 24 of file LocalBondState.cpp.

References angle_count, angle_ids, angle_list, dihedral_count, dihedral_ids, dihedral_list, pair_count, pair_ids, and pair_list.

◆ clear()

void LocalBondState::clear ( )

Deallocates Views.

Definition at line 57 of file LocalBondState.cpp.

References angle_ids, angle_list, clear_new_bonds(), dihedral_ids, dihedral_list, pair_ids, pair_list, and reset_counts().

◆ clear_new_bonds()

void LocalBondState::clear_new_bonds ( )

Definition at line 79 of file LocalBondState.cpp.

References new_angle_ids, new_angle_list, new_dihedral_ids, new_dihedral_list, new_pair_ids, and new_pair_list.

Referenced by clear(), rebuild(), and reset().

◆ rebuild()

void LocalBondState::rebuild ( )

Definition at line 166 of file LocalBondState.cpp.

References angle_count, angle_ids, angle_list, clear_new_bonds(), dihedral_count, dihedral_ids, dihedral_list, new_angle_ids, new_angle_list, new_dihedral_ids, new_dihedral_list, new_pair_ids, new_pair_list, pair_count, pair_ids, and pair_list.

◆ reset()

void LocalBondState::reset ( )

Reset counts + collision vectors.

Definition at line 71 of file LocalBondState.cpp.

References clear_new_bonds(), and reset_counts().

◆ reset_counts()

void LocalBondState::reset_counts ( )
inline

Definition at line 55 of file LocalBondState.hpp.

References angle_count, dihedral_count, and pair_count.

Referenced by clear(), and reset().

◆ set_counts()

void LocalBondState::set_counts ( int  p,
int  a,
int  d 
)
inline

Definition at line 61 of file LocalBondState.hpp.

References angle_count, dihedral_count, and pair_count.

Member Data Documentation

◆ angle_count

int LocalBondState::angle_count = 0

Definition at line 38 of file LocalBondState.hpp.

Referenced by add_new_bond(), allocate(), rebuild(), reset_counts(), and set_counts().

◆ angle_ids

AngleBondIDType LocalBondState::angle_ids

Definition at line 45 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

◆ angle_list

AngleBondlistType LocalBondState::angle_list

Definition at line 44 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

◆ dihedral_count

int LocalBondState::dihedral_count = 0

Definition at line 39 of file LocalBondState.hpp.

Referenced by add_new_bond(), allocate(), rebuild(), reset_counts(), and set_counts().

◆ dihedral_ids

DihedralBondIDType LocalBondState::dihedral_ids

Definition at line 47 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

◆ dihedral_list

DihedralBondlistType LocalBondState::dihedral_list

Definition at line 46 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

◆ new_angle_ids

std::vector<int> LocalBondState::new_angle_ids

Definition at line 51 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ new_angle_list

std::vector<int> LocalBondState::new_angle_list

Definition at line 51 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ new_dihedral_ids

std::vector<int> LocalBondState::new_dihedral_ids

Definition at line 52 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ new_dihedral_list

std::vector<int> LocalBondState::new_dihedral_list

Definition at line 52 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ new_pair_ids

std::vector<int> LocalBondState::new_pair_ids

Definition at line 50 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ new_pair_list

std::vector<int> LocalBondState::new_pair_list

Definition at line 50 of file LocalBondState.hpp.

Referenced by add_new_bond(), clear_new_bonds(), and rebuild().

◆ pair_count

int LocalBondState::pair_count = 0

Definition at line 37 of file LocalBondState.hpp.

Referenced by add_new_bond(), allocate(), rebuild(), reset_counts(), and set_counts().

◆ pair_ids

PairBondIDType LocalBondState::pair_ids

Definition at line 43 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

◆ pair_list

PairBondlistType LocalBondState::pair_list

Definition at line 42 of file LocalBondState.hpp.

Referenced by allocate(), clear(), and rebuild().

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