Constraints::ShapeBasedConstraint Class Reference

#include <ShapeBasedConstraint.hpp>

Inheritance diagram for Constraints::ShapeBasedConstraint:

Collaboration diagram for Constraints::ShapeBasedConstraint:

Public Member Functions
	ShapeBasedConstraint ()
void	add_energy (const Particle &p, const Utils::Vector3d &folded_pos, double time, Observable_stat &energy) const override
ParticleForce	force (const Particle &p, const Utils::Vector3d &folded_pos, double time) override
bool	fits_in_box (Utils::Vector3d const &) const override
double	min_dist (BoxGeometry const &box_geo, ParticleRange const &particles) const
	Calculate the minimum distance between all particle pairs.
void	calc_dist (Utils::Vector3d const &pos, double &dist, Utils::Vector3d &vec) const
	Calculate distance from the constraint.
void	set_shape (std::shared_ptr< Shapes::Shape > const &shape)
Shapes::Shape const &	shape () const
void	reset_force () override
bool &	only_positive ()
bool &	penetrable ()
int &	type ()
Utils::Vector3d &	velocity ()
void	set_type (int type)
Utils::Vector3d	total_force () const
double	total_normal_force () const
void	bind_system (std::shared_ptr< System::System const > const &system)
Public Member Functions inherited from Constraints::Constraint
virtual	~Constraint ()=default

Detailed Description

Definition at line 43 of file core/constraints/ShapeBasedConstraint.hpp.

Constructor & Destructor Documentation

ShapeBasedConstraint()

Constraints::ShapeBasedConstraint::ShapeBasedConstraint ( )

inline

Definition at line 45 of file core/constraints/ShapeBasedConstraint.hpp.

Member Function Documentation

add_energy()

void Constraints::ShapeBasedConstraint::add_energy ( const Particle &  p, const Utils::Vector3d &  folded_pos, double  time, Observable_stat &  energy  ) const

overridevirtual

Implements Constraints::Constraint.

Definition at line 161 of file ShapeBasedConstraint.cpp.

References Observable_stat::add_non_bonded_contribution(), calc_non_bonded_pair_energy(), get_ptr(), Particle::id(), Constraints::is_active(), Particle::mol_id(), runtimeErrorMsg, and Particle::type().

bind_system()

void Constraints::ShapeBasedConstraint::bind_system ( std::shared_ptr< System::System const > const &  system )

inline

Definition at line 88 of file core/constraints/ShapeBasedConstraint.hpp.

calc_dist()

void Constraints::ShapeBasedConstraint::calc_dist ( Utils::Vector3d const &  pos, double &  dist, Utils::Vector3d &  vec  ) const

inline

Calculate distance from the constraint.

Definition at line 63 of file core/constraints/ShapeBasedConstraint.hpp.

fits_in_box()

bool Constraints::ShapeBasedConstraint::fits_in_box ( Utils::Vector3d const &  ) const

inlineoverridevirtual

Implements Constraints::Constraint.

Definition at line 56 of file core/constraints/ShapeBasedConstraint.hpp.

force()

ParticleForce Constraints::ShapeBasedConstraint::force ( const Particle &  p, const Utils::Vector3d &  folded_pos, double  time  )

overridevirtual

Implements Constraints::Constraint.

Definition at line 89 of file ShapeBasedConstraint.cpp.

References calc_central_radial_force(), calc_non_central_force(), calc_opposing_force(), dpd_pair_force(), get_ptr(), Particle::id(), Constraints::is_active(), runtimeErrorMsg, THERMO_DPD, thole_pair_force(), ParticleForce::torque, and Particle::type().

min_dist()

double Constraints::ShapeBasedConstraint::min_dist	(	BoxGeometry const &	box_geo,
		ParticleRange const &	particles
	)		const

Calculate the minimum distance between all particle pairs.

Definition at line 67 of file ShapeBasedConstraint.cpp.

only_positive()

bool & Constraints::ShapeBasedConstraint::only_positive ( )

inline

Definition at line 79 of file core/constraints/ShapeBasedConstraint.hpp.

penetrable()

bool & Constraints::ShapeBasedConstraint::penetrable ( )

inline

Definition at line 80 of file core/constraints/ShapeBasedConstraint.hpp.

reset_force()

void Constraints::ShapeBasedConstraint::reset_force ( )

inlineoverridevirtual

Reimplemented from Constraints::Constraint.

Definition at line 74 of file core/constraints/ShapeBasedConstraint.hpp.

set_shape()

void Constraints::ShapeBasedConstraint::set_shape ( std::shared_ptr< Shapes::Shape > const &  shape )

inline

Definition at line 68 of file core/constraints/ShapeBasedConstraint.hpp.

References shape().

set_type()

void Constraints::ShapeBasedConstraint::set_type

(

int

type

)

Definition at line 50 of file ShapeBasedConstraint.cpp.

References type(), and Particle::type().

shape()

Shapes::Shape const & Constraints::ShapeBasedConstraint::shape ( ) const

inline

Definition at line 72 of file core/constraints/ShapeBasedConstraint.hpp.

Referenced by set_shape().

total_force()

Utils::Vector3d Constraints::ShapeBasedConstraint::total_force

(

)

const

Definition at line 59 of file ShapeBasedConstraint.cpp.

References comm_cart.

total_normal_force()

double Constraints::ShapeBasedConstraint::total_normal_force

(

)

const

Definition at line 63 of file ShapeBasedConstraint.cpp.

References comm_cart.

type()

int & Constraints::ShapeBasedConstraint::type ( )

inline

Definition at line 81 of file core/constraints/ShapeBasedConstraint.hpp.

References Particle::type().

Referenced by set_type().

velocity()

Utils::Vector3d & Constraints::ShapeBasedConstraint::velocity ( )

inline

Definition at line 82 of file core/constraints/ShapeBasedConstraint.hpp.

References Particle::v().

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

• core/constraints/ShapeBasedConstraint.hpp
• ShapeBasedConstraint.cpp