pmi/utilities.h File Reference

Useful utilities. More...

#include <IMP/pmi/pmi_config.h>
#include <IMP/core/DistancePairScore.h>
#include <IMP/core/DistanceRestraint.h>
#include <IMP/core/XYZR.h>
#include <IMP/atom/Hierarchy.h>
#include <IMP/atom/Molecule.h>
#include <IMP/atom/Copy.h>
#include <IMP/atom/Selection.h>
#include <IMP/core/internal/dihedral_helpers.h>
#include <IMP/Vector.h>
#include <boost/lexical_cast.hpp>

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Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::pmi
	Python classes to represent, score, sample and analyze models.

Functions
RestraintSet *	IMP::pmi::create_elastic_network (const Particles &ps, Float dist_cutoff, Float strength)
	Create an elastic network restraint set. More...
Float	IMP::pmi::get_bipartite_minimum_sphere_distance (const IMP::core::XYZRs &m1, const IMP::core::XYZRs &m2)
Float	IMP::pmi::get_dihedral_angle (const atom::Atom &p1, const atom::Atom &p2, const atom::Atom &p3, const atom::Atom &p4)
bool	IMP::pmi::get_is_canonical (atom::Hierarchy h)
	Walk up a PMI2 hierarchy/representations and check if the root is named System. More...
Floats	IMP::pmi::get_list_of_bipartite_minimum_sphere_distance (const ParticlesTemps &pss)
std::string	IMP::pmi::get_molecule_name_and_copy (atom::Hierarchy h)
	Walk up a PMI2 hierarchy/representations and get the "molname.copynum". More...

Detailed Description

Useful utilities.

Copyright 2007-2021 IMP Inventors. All rights reserved.

Definition in file pmi/utilities.h.