Accumulate the derivatives of the refined particles. More...

Inherits SingletonDerivativeModifier.

Public Member Functions
	DerivativesFromRefined (Refiner *r, FloatKeys ks=XYZ::get_xyz_keys())
	Copy ks from the particles returned by r.

virtual void	apply_index (kernel::Model *m, kernel::ParticleIndex a) const

virtual void	apply_indexes (kernel::Model *m, const ParticleIndexes &o, unsigned int lower_bound, unsigned int upper_bound) const

virtual kernel::ModelObjectsTemp	do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const

virtual kernel::ModelObjectsTemp	do_get_outputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const

virtual std::string	get_type_name () const

virtual ::IMP::base::VersionInfo	get_version_info () const

Detailed Description

See Also: DerivativesToRefined; CoverRefined; CentroidOfRefinedSingletonModifer An example showing a how to use such a score state to maintain a cover of the atoms of a protein by a sphere per residue.
1 ## \example core/cover_particles.py

2 # Show how to maintain a sphere per residue which includes all atoms

3 # of the residue. The derivatives are propagated from the sphere

4 # cover to the atoms so that restraints can be used at multiple

5 # levels.

6

7 import IMP

8 import IMP.core

9 import IMP.atom

10 import IMP.atom

11

12 m = IMP.kernel.Model()

13 prot = IMP.atom.read_pdb(IMP.core.get_example_path('example_protein.pdb'), m)

14 res = IMP.atom.get_by_type(prot, IMP.atom.RESIDUE_TYPE)

15 pr = IMP.core.ChildrenRefiner(IMP.atom.Hierarchy.get_traits())

16 for r in res:

17 # add coordinates and a radius to the residue particle

18 IMP.core.XYZR.setup_particle(r)

19 # make sure that the coordinates and the radius define a sphere

20 # which contains all of the leaves (atoms) of the residue

21 IMP.core.Cover.setup_particle(r.get_particle(), pr)

22 # update the coordinates of the residue particles so that they cover the atoms

23 m.update()

Definition at line 29 of file DerivativesFromRefined.h.

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

Public Member Functions