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ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Data structures for bonded interactions. More...
#include <config/config.hpp>#include "angle_common.hpp"#include "angle_cosine.hpp"#include "angle_cossquare.hpp"#include "angle_harmonic.hpp"#include "bonded_coulomb.hpp"#include "bonded_coulomb_sr.hpp"#include "bonded_tab.hpp"#include "dihedral.hpp"#include "fene.hpp"#include "harmonic.hpp"#include "immersed_boundary/ibm_tribend.hpp"#include "immersed_boundary/ibm_triel.hpp"#include "immersed_boundary/ibm_volcons.hpp"#include "object-in-fluid/oif_global_forces_params.hpp"#include "object-in-fluid/oif_local_forces.hpp"#include "quartic.hpp"#include "rigid_bond.hpp"#include "thermalized_bond.hpp"#include "BondList.hpp"#include "TabulatedPotential.hpp"#include "system/Leaf.hpp"#include <algorithm>#include <cassert>#include <cmath>#include <optional>#include <stdexcept>#include <unordered_map>#include <variant>#include <vector>
Include dependency graph for bonded_interaction_data.hpp:
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Classes | |
| struct | NoneBond |
| Interaction type for unused bonded interaction slots. More... | |
| struct | VirtualBond |
| Interaction type for virtual bonds. More... | |
| class | BondedInteractionsMap |
| container for bonded interactions. More... | |
Typedefs | |
| using | Bonded_IA_Parameters = std::variant< NoneBond, FeneBond, HarmonicBond, QuarticBond, BondedCoulomb, BondedCoulombSR, AngleHarmonicBond, AngleCosineBond, AngleCossquareBond, DihedralBond, TabulatedDistanceBond, TabulatedAngleBond, TabulatedDihedralBond, ThermalizedBond, RigidBond, IBMTriel, IBMVolCons, IBMTribend, OifGlobalForcesBond, OifLocalForcesBond, VirtualBond > |
| Variant in which to store the parameters of an individual bonded interaction. | |
Functions | |
| int | number_of_partners (Bonded_IA_Parameters const &iaparams) |
| Get the number of bonded partners for the specified bond. | |
Data structures for bonded interactions.
For more information on how to add new interactions, see Adding new interactions.
Definition in file bonded_interaction_data.hpp.
Variant in which to store the parameters of an individual bonded interaction.
Definition at line 76 of file bonded_interaction_data.hpp.
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inline |
Get the number of bonded partners for the specified bond.
Definition at line 224 of file bonded_interaction_data.hpp.
Referenced by calc_bonded_pressure_tensor(), ScriptInterface::Interactions::BondedInteraction::do_call_method(), Mpiio::dump_info(), CollisionDetection::BindAtPointOfCollision::handle_collisions(), CollisionDetection::BindAtPointOfCollision::initialize(), and CollisionDetection::BindCenters::initialize().