IMP  2.0.0
The Integrative Modeling Platform
fitting_utils.h
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1 /**
2  * \file IMP/multifit/fitting_utils.h
3  * \brief fitting utilities
4  *
5  * Copyright 2007-2013 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPMULTIFIT_FITTING_UTILS_H
10 #define IMPMULTIFIT_FITTING_UTILS_H
11 
13 #include <IMP/Model.h>
14 #include <IMP/core/Hierarchy.h>
15 #include <IMP/Object.h>
16 #include <IMP/file.h>
17 #include <IMP/em/rigid_fitting.h>
18 #include <IMP/multifit/multifit_config.h>
19 #include "FittingSolutionRecord.h"
20 IMPMULTIFIT_BEGIN_NAMESPACE
21 
22 //create a density hit map from a set of fitting solutions
23 IMPMULTIFITEXPORT
24 em::DensityMap* create_hit_map(core::RigidBody rb, Refiner *rb_ref,
25  const FittingSolutionRecords &sols,
26  em::DensityMap *damp
27  );
28 //! Given a molecule and a set of points, return the indexes of the points
29 //! that are close to the molecule (up to max_dist) and the res
30 IMPMULTIFITEXPORT
32  const atom::Hierarchy &mh,
33  const algebra::Vector3Ds points,
34  Float max_dist);
35 IMPMULTIFITEXPORT
36 algebra::Vector3Ds get_points_far_from_molecule(
37  const atom::Hierarchy &mh,
38  const algebra::Vector3Ds points,
39  Float max_dist);
40 IMPMULTIFIT_END_NAMESPACE
41 #endif /* IMPMULTIFIT_FITTING_UTILS_H */