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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
envelope_penetration.h
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1 /**
2  * \file IMP/em/envelope_penetration.h
3  * \brief functions for calculation envelope penetration
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPEM_ENVELOPE_PENETRATION_H
10 #define IMPEM_ENVELOPE_PENETRATION_H
11 #include <IMP/em/em_config.h>
12 #include "DensityMap.h"
13 #include <IMP/Particle.h>
14 
15 IMPEM_BEGIN_NAMESPACE
16 //! Get the number of particles that are outside of the density
17 /**
18 \note the function assumes that all of the particles have XYZ coordinates
19  */
21  DensityMap *dmap, const Particles &ps,
24  float thr = 0.0);
25 //! Get numbers of particles (mult transforms) that are outside the density
26 /**
27 \note the function assumes that all of the particles have XYZ coordinates
28  */
30  DensityMap *dmap, const Particles &ps,
31  const IMP::algebra::Transformation3Ds &transformations, float thr = 0.0);
32 //! Get the number of density voxels that are not covered by particles
33 /**
34 \note the function assumes that all of the particles have XYZ coordinates
35  */
37  DensityMap *dmap, const Particles &ps, float smoothing_radius = 3.,
40  float thr = 0.0);
41 IMPEM_END_NAMESPACE
42 
43 #endif /* IMPEM_ENVELOPE_PENETRATION_H */
Simple 3D transformation class.
Ints get_numbers_of_particles_outside_of_the_density(DensityMap *dmap, const Particles &ps, const IMP::algebra::Transformation3Ds &transformations, float thr=0.0)
Get numbers of particles (mult transforms) that are outside the density.
Class for handling density maps.
long get_number_of_particles_outside_of_the_density(DensityMap *dmap, const Particles &ps, const IMP::algebra::Transformation3D &t=IMP::algebra::get_identity_transformation_3d(), float thr=0.0)
Get the number of particles that are outside of the density.
double get_percentage_of_voxels_covered_by_particles(DensityMap *dmap, const Particles &ps, float smoothing_radius=3., const IMP::algebra::Transformation3D &t=IMP::algebra::get_identity_transformation_3d(), float thr=0.0)
Get the number of density voxels that are not covered by particles.
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Transformation3D get_identity_transformation_3d()
Return a transformation that does not do anything.
IMP::Vector< Int > Ints
Standard way to pass a bunch of Int values.
Definition: types.h:48