ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <Constraint.hpp>
Public Member Functions | |
virtual void | add_energy (const Particle &p, const Utils::Vector3d &folded_pos, double time, Observable_stat &energy) const =0 |
Add constraint energy for particle to the energy observable. | |
virtual ParticleForce | force (const Particle &p, const Utils::Vector3d &folded_pos, double time)=0 |
Calculate the force of the constraint on a particle. | |
virtual bool | fits_in_box (Utils::Vector3d const &box) const =0 |
Check if constraints if compatible with box size. | |
virtual void | reset_force () |
virtual | ~Constraint ()=default |
Definition at line 30 of file core/constraints/Constraint.hpp.
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virtualdefault |
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pure virtual |
Add constraint energy for particle to the energy observable.
[in] | p | The particle to add the energy for. |
[in] | folded_pos | Folded position of the particle. |
[in] | time | The time at which the energy should be calculated. |
[out] | energy | Energy observable to add this constraint's energy to. |
Implemented in Constraints::ExternalField< Coupling, Field >, Constraints::HomogeneousMagneticField, Constraints::ShapeBasedConstraint, and Constraints::ExternalPotential< Coupling, Field >.
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pure virtual |
Check if constraints if compatible with box size.
Implemented in Constraints::HomogeneousMagneticField, Constraints::ShapeBasedConstraint, Constraints::ExternalField< Coupling, Field >, and Constraints::ExternalPotential< Coupling, Field >.
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pure virtual |
Calculate the force of the constraint on a particle.
[in] | p | The particle to calculate the force for. |
[in] | folded_pos | Folded position of the particle. |
[in] | time | The time at which the force should be calculated. |
Implemented in Constraints::HomogeneousMagneticField, Constraints::ExternalField< Coupling, Field >, Constraints::ExternalPotential< Coupling, Field >, and Constraints::ShapeBasedConstraint.
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inlinevirtual |
Reimplemented in Constraints::ShapeBasedConstraint.
Definition at line 59 of file core/constraints/Constraint.hpp.