Detailed Description

Constrain orientation of surfaces with respect to rigid bodies.

Given two surfaces and two rigid bodies assumed to be identical, constrain the orientation of the first surface relative to the first rigid body to be the same as the orientation of second surface with respect to the second rigid body.

Note: Both RigidBody particles are assumed to be identical copies. This is not enforced.; Derivatives from the first surface are transformed and added to the second surface.

Definition at line 35 of file SurfaceSymmetryConstraint.h.

Public Member Functions
	SurfaceSymmetryConstraint (Model *m, const ParticleIndexPair &ss, const ParticleIndexPair &rbs)
	Create restraint from particle pairs. More...

virtual ModelObjectsTemp	do_get_inputs () const

virtual ModelObjectsTemp	do_get_outputs () const

virtual void	do_update_attributes ()

virtual void	do_update_derivatives (DerivativeAccumulator *da)

virtual std::string	get_type_name () const

virtual ::IMP::VersionInfo	get_version_info () const
	Get information about the module and version of the object. More...

Public Member Functions inherited from IMP::Constraint
	Constraint (Model *m, std::string name="Constraint %1%")

virtual void	do_after_evaluate (DerivativeAccumulator *da)
	Do any necessary updates after the model score is calculated. More...

virtual void	do_before_evaluate ()
	Update the state given the current state of the model. More...

Public Member Functions inherited from IMP::ScoreState
	ScoreState (Model *m, std::string name)

void	after_evaluate (DerivativeAccumulator *accpt)
	Do post evaluation work if needed. More...

void	before_evaluate ()
	Force update of the structure. More...

Public Member Functions inherited from IMP::ModelObject
	ModelObject (Model *m, std::string name)

bool	get_has_dependencies () const
	Return whether this object has dependencies computed. More...

bool	get_has_required_score_states () const
	Return whether score states are computed. More...

ModelObjectsTemp	get_inputs () const

ModelObjectsTemps	get_interactions () const
	Get the interacting sets induced by this ModelObject. More...

Model *	get_model () const

ModelObjectsTemp	get_outputs () const

const ScoreStatesTemp &	get_required_score_states () const
	Get the score states that are ancestors of this in the dependency graph. More...

void	set_has_dependencies (bool tf)
	Either invalidate the dependencies or ensure they are correct. More...

void	set_has_required_score_states (bool tf)
	Compute the required score states. More...

Public Member Functions inherited from IMP::Object
virtual void	clear_caches ()

CheckLevel	get_check_level () const

LogLevel	get_log_level () const

void	set_check_level (CheckLevel l)

void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...

void	set_was_used (bool tf) const

void	show (std::ostream &out=std::cout) const

const std::string &	get_name () const

void	set_name (std::string name)

Additional Inherited Members
Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemps	do_get_interactions () const

virtual void	handle_set_has_required_score_states (bool)

Protected Member Functions inherited from IMP::Object
	Object (std::string name)
	Construct an object with the given name. More...

virtual void	do_destroy ()

Constructor & Destructor Documentation

IMP::core::SurfaceSymmetryConstraint::SurfaceSymmetryConstraint	(	Model *	m,
		const ParticleIndexPair &	ss,
		const ParticleIndexPair &	rbs
	)

Create restraint from particle pairs.

Parameters

[in]	m	the Model
[in]	ss	pair of Surface particles, where the first surface is constrained
[in]	rbs	pair of RigidBody particles, corresponding to the surfaces in `ss`

Member Function Documentation

virtual ModelObjectsTemp IMP::core::SurfaceSymmetryConstraint::do_get_inputs ( ) const

virtual

Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.

Implements IMP::ModelObject.

virtual ModelObjectsTemp IMP::core::SurfaceSymmetryConstraint::do_get_outputs ( ) const

virtual

Get any Particle, Container or other ModelObjects changed by this during evaluation. This is only useful for ScoreStates, at the moment.

Implements IMP::ModelObject.

virtual ::IMP::VersionInfo IMP::core::SurfaceSymmetryConstraint::get_version_info ( ) const

virtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 61 of file SurfaceSymmetryConstraint.h.

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

SurfaceSymmetryConstraint.h

Detailed Description

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation