rigid_fitting.h File Reference

Performs rigid fitting between a set of particles and a density map. More...

#include <IMP/core/MonteCarlo.h>
#include <IMP/core/ConjugateGradients.h>
#include <IMP/RestraintSet.h>
#include <IMP/algebra/Transformation3D.h>
#include <IMP/Particle.h>
#include <IMP/Model.h>
#include "DensityMap.h"
#include "FitRestraint.h"
#include <IMP/em/em_config.h>
#include <IMP/OptimizerState.h>
#include <IMP/core/rigid_bodies.h>
#include <IMP/ScoreState.h>
#include <algorithm>
#include <cereal/access.hpp>
#include <cereal/types/vector.hpp>

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Classes
class	IMP::em::FittingSolutions
	A simple list of fitting solutions. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::em
	Basic utilities for handling cryo-electron microscopy 3D density maps.

Typedefs
typedef IMP::Vector < FittingSolutions >	IMP::em::FittingSolutionsList

Functions
Float	IMP::em::compute_fitting_score (const ParticlesTemp &ps, DensityMap *em_map, FloatKey wei_key=atom::Mass::get_mass_key())
	Compute fitting scores for a given set of rigid transformations. More...
FittingSolutions	IMP::em::compute_fitting_scores (const ParticlesTemp &ps, DensityMap *em_map, const algebra::Transformation3Ds &transformations, bool fast_version=false, bool local_score=false, const FloatKey &wei_key=atom::Mass::get_mass_key())
	Compute fitting scores for a given set of rigid transformations. More...
FittingSolutions	IMP::em::compute_fitting_scores (DensityMap *em_map, core::RigidBody rb, Refiner *refiner, const algebra::Transformation3Ds &transformations)
	Compute fitting scores for a given set of rigid transformations. More...
FittingSolutions	IMP::em::local_rigid_fitting (Particle *p, Refiner *refiner, const FloatKey &weight_key, DensityMap *dmap, OptimizerStates display_log, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=.3, bool fast=true)
	Local rigid fitting of a rigid body. More...
FittingSolutions	IMP::em::local_rigid_fitting_around_point (Particle *p, Refiner *refiner, const FloatKey &weight_key, DensityMap *dmap, const algebra::Vector3D &anchor_centroid, OptimizerStates display_log, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=.3, bool fast=false)
	Local rigid fitting of a rigid body around a center point. More...
FittingSolutions	IMP::em::local_rigid_fitting_around_points (Particle *p, Refiner *refiner, const FloatKey &wei_key, DensityMap *dmap, const algebra::Vector3Ds &anchor_centroids, OptimizerStates display_log, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=.3)
	Local rigid fitting of a rigid body around a set of center points. More...
FittingSolutions	IMP::em::local_rigid_fitting_grid_search (const ParticlesTemp &ps, const FloatKey &wei_key, DensityMap *dmap, Int max_voxels_translation=2, Int translation_step=1, Float max_angle_in_radians=0.174, Int number_of_rotations=100)
	Local grid search rigid fitting. More...
template<class Archive >
void	cereal::serialize (Archive &ar, std::pair< IMP::algebra::Transformation3D, IMP::Float > &g)

Detailed Description

Performs rigid fitting between a set of particles and a density map.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file rigid_fitting.h.