Observables::BondAngles Class Reference

Calculate bond angles between particles in a polymer. More...

#include <BondAngles.hpp>

Inheritance diagram for Observables::BondAngles:

Collaboration diagram for Observables::BondAngles:

Public Member Functions
	BondAngles (std::vector< int > ids)
std::vector< double >	evaluate (boost::mpi::communicator const &comm, ParticleReferenceRange const &local_particles, const ParticleObservables::traits< Particle > &traits) const override
std::vector< std::size_t >	shape () const override
	PidObservable (std::vector< int > ids)
Public Member Functions inherited from Observables::PidObservable
	PidObservable (std::vector< int > ids)
std::vector< double >	operator() (boost::mpi::communicator const &comm) const final
std::vector< int > const &	ids () const
Public Member Functions inherited from Observables::Observable
	Observable ()=default
virtual	~Observable ()=default
std::size_t	n_values () const
	Size of the flat array returned by the observable.

Detailed Description

Calculate bond angles between particles in a polymer.

For \( n \) bonded particles, return the \( n-2 \) angles along the chain, in radians.

Definition at line 43 of file BondAngles.hpp.

Constructor & Destructor Documentation

BondAngles()

Observables::BondAngles::BondAngles ( std::vector< int >  ids )

inlineexplicit

Definition at line 46 of file BondAngles.hpp.

References Observables::PidObservable::ids().

Member Function Documentation

evaluate()

std::vector< double > Observables::BondAngles::evaluate ( boost::mpi::communicator const &  comm, ParticleReferenceRange const &  local_particles, const ParticleObservables::traits< Particle > &  traits  ) const

inlineoverridevirtual

Implements Observables::PidObservable.

Definition at line 52 of file BondAngles.hpp.

References System::System::box_geo, System::get_system(), Observables::PidObservable::ids(), Observables::Observable::n_values(), and tiny_cos_angle_value.

PidObservable()

Observables::PidObservable::PidObservable ( std::vector< int >  ids )

inlineexplicit

Definition at line 64 of file core/observables/PidObservable.hpp.

shape()

std::vector< std::size_t > Observables::BondAngles::shape ( ) const

inlineoverridevirtual

Implements Observables::Observable.

Definition at line 83 of file BondAngles.hpp.

References Observables::PidObservable::ids().

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

• BondAngles.hpp