9 #ifndef IMPEM_PCA_FIT_RESTRAINT_H
10 #define IMPEM_PCA_FIT_RESTRAINT_H
12 #include <IMP/em/em_config.h>
46 float max_pca_size_diff,
float max_angle_diff,
47 float max_centroid_diff,
48 FloatKey weight_key = atom::Mass::get_mass_key());
70 algebra::PrincipalComponentAnalysis dens_pca_;
71 float max_angle_diff_, max_pca_size_diff_;
72 float max_centroid_diff_;
Calculate score based on fit to EM map.
A decorator for particles with mass.
Perform coarse fitting between two density objects.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Storage of a model, its restraints, constraints and particles.
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
#define IMP_LIST(protection, Ucname, lcname, Data, PluralData)
A macro to provide a uniform interface for storing lists of objects.
Class for handling density maps.
Decorator for helping deal with a hierarchy of molecules.
Class for handling density maps.
Refine a particle into a list of particles.
A smart pointer to a ref-counted Object that is a class member.
Class to handle individual particles of a Model object.
Abstract base class for all restraints.
Principal component analysis of a set of points.
Decorator for a sphere-like particle.
virtual ModelObjectsTemp do_get_inputs() const =0
Class for adding derivatives from restraints to the model.
A restraint is a term in an IMP ScoringFunction.