An IMP restraint using all defined Modeller restraints. More...

Inheritance diagram for IMP.modeller.ModellerRestraints:

Additional Inherited Members
Public Member Functions inherited from IMP::kernel::Restraint
	Restraint (Model *m, std::string name)

void	add_score_and_derivatives (ScoreAccumulator sa) const

Restraint *	create_current_decomposition () const
	Decompose this restraint into constituent terms for the current conf. More...

Restraint *	create_decomposition () const
	Decompose this restraint into constituent terms. More...

virtual ScoringFunction *	create_scoring_function (double weight=1.0, double max=NO_MAX) const

ContainersTemp	get_input_containers () const

ParticlesTemp	get_input_particles () const

virtual double	get_last_score () const

double	get_score () const

bool	get_was_good () const

void	set_weight (Float weight)

Float	get_weight () const

double	get_maximum_score () const

void	set_maximum_score (double s)

Protected Member Functions inherited from IMP::kernel::Restraint
virtual void	do_add_score_and_derivatives (ScoreAccumulator sa) const

virtual Restraints	do_create_current_decomposition () const

virtual Restraints	do_create_decomposition () const

ModelObjectsTemp	do_get_outputs () const

virtual void	do_update_dependencies ()

Related Functions inherited from IMP::kernel::Restraint
typedef IMP::base::Vector < IMP::base::WeakPointer < Restraint > >	RestraintsTemp

Detailed Description

This is useful if you want to use Modeller restraints with an IMP optimizer, or in combination with IMP restraints.

Parameters

model	The IMP Model object.
modeller_model	The Modeller model object.
particles	A list of the IMP atoms (as Particle objects), in the same order as the Modeller atoms.

Note: since Modeller, unlike IMP, is sensitive to the ordering of atoms, it usually makes sense to create the model in Modeller and then use ModelLoader to load it into IMP, since that will preserve the Modeller atom ordering in IMP.; Currently only the coordinates of the atoms are translated between Modeller and IMP; thus, a Modeller restraint which uses any other attribute (e.g. charge) will not react if this attribute is changed by IMP.; This class is only available in Python.

Definition at line 34 of file modeller/__init__.py.

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

Additional Inherited Members