IMP  2.3.0
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 2007-2014 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/kernel/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 kernel::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 kernel::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 kernel::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 kernel::Particles &ps, const IMP::algebra::Transformation3Ds &transformations, float thr=0.0)
Get numbers of particles (mult transforms) that are outside the density.
double get_percentage_of_voxels_covered_by_particles(DensityMap *dmap, const kernel::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.
Class for handling density maps.
Classes to handle individual model particles. (Note that implementation of inline functions in in int...
Transformation3D get_identity_transformation_3d()
Return a transformation that does not do anything.
long get_number_of_particles_outside_of_the_density(DensityMap *dmap, const kernel::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.
IMP::base::Vector< Int > Ints
Standard way to pass a bunch of Int values.
Definition: types.h:49