ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include "config/config.hpp"
#include "BoxGeometry.hpp"
#include "Particle.hpp"
#include "PropagationMode.hpp"
#include <utils/quaternion.hpp>
#include <tuple>
Go to the source code of this file.
Functions | |
std::tuple< Utils::Quaternion< double >, double > | calculate_vs_relate_to_params (Particle const &p_current, Particle const &p_relate_to, BoxGeometry const &box_geo, double min_global_cut, bool override_cutoff_check=false) |
Calculate the rotation quaternion and distance between two particles. | |
void | vs_relate_to (Particle &p_vs, Particle const &p_relate_to, BoxGeometry const &box_geo, double min_global_cut) |
Setup a virtual site to track a real particle. | |
std::tuple< Utils::Quaternion< double >, double > calculate_vs_relate_to_params | ( | Particle const & | p_current, |
Particle const & | p_relate_to, | ||
BoxGeometry const & | box_geo, | ||
double | min_global_cut, | ||
bool | override_cutoff_check = false |
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) |
Calculate the rotation quaternion and distance between two particles.
Definition at line 43 of file virtual_sites.cpp.
References Utils::convert_director_to_quaternion(), BoxGeometry::get_mi_vector(), Utils::Quaternion< T >::norm2(), Particle::pos(), Particle::quat(), and runtimeErrorMsg.
Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method(), and vs_relate_to().
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inline |
Setup a virtual site to track a real particle.
[in] | box_geo | Box geometry. |
[in,out] | p_vs | Virtual site. |
[in] | p_relate_to | Real particle to follow. |
[in] | min_global_cut | Minimal global cutoff. |
Definition at line 48 of file virtual_sites.hpp.
References calculate_vs_relate_to_params(), Particle::id(), Particle::propagation(), PropagationMode::ROT_VS_RELATIVE, PropagationMode::TRANS_VS_RELATIVE, and Particle::vs_relative().
Referenced by CollisionDetection::place_vs_and_relate_to_particle().