atom/distance.h File Reference

distance metrics More...

#include <IMP/atom/atom_config.h>
#include <IMP/core/XYZ.h>
#include "Hierarchy.h"
#include "Selection.h"
#include <IMP/algebra/distance.h>
#include "IMP/base_types.h"

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Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Functions
FloatPair	IMP::atom::get_component_placement_score (const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
	Measure the difference between two placements of the same set of points. More...
template<class Vector3DsOrXYZs0 , class Vector3DsOrXYZs1 >
double	IMP::atom::get_drms (const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
template<class Vector3DsOrXYZs0 , class Vector3DsOrXYZs1 >
double	IMP::atom::get_drmsd (const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1)
	Calculate distance the root mean square deviation between two sets of 3D points. More...
template<class Vector3DsOrXYZs0 , class Vector3DsOrXYZs1 >
double	IMP::atom::get_drmsd_Q (const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1, double threshold)
template<class Vector3DsOrXYZs0 , class Vector3DsOrXYZs1 >
double	IMP::atom::get_native_overlap (const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, double threshold)
	Computes the native overlap between two sets of 3D points. More...
double	IMP::atom::get_pairwise_rmsd_score (const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
	Measure the RMSD between two placements of the same set of points. More...
FloatPair	IMP::atom::get_placement_score (const core::XYZs &source, const core::XYZs &target)
	Measure the difference between two placements of the same set of points. More...
double	IMP::atom::get_radius_of_gyration (const ParticlesTemp &ps, bool weighted=true)
template<class Vector3DsOrXYZs0 , class Vector3DsOrXYZs1 >
double	IMP::atom::get_rigid_bodies_drms (const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, const IMP::IntRanges &ranges)
	DRMS between two sets of rigid bodies. More...
double	IMP::atom::get_rmsd (const core::XYZs &s0, const core::XYZs &s1)
double	IMP::atom::get_rmsd (const Selection &s0, const Selection &s1)
double	IMP::atom::get_rmsd_transforming_first (const IMP::algebra::Transformation3D &tr, const core::XYZs &s0, const core::XYZs &s1)
double	IMP::atom::get_rmsd_transforming_first (const algebra::Transformation3D &tr, const Selection &s0, const Selection &s1)

Detailed Description

distance metrics

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file atom/distance.h.