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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
fitting_solutions_reader_writer.h
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1 /**
2  * \file IMP/multifit/fitting_solutions_reader_writer.h
3  * \brief handles reading and writing MultiFit fitting solutions file
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPMULTIFIT_FITTING_SOLUTIONS_READER_WRITER_H
10 #define IMPMULTIFIT_FITTING_SOLUTIONS_READER_WRITER_H
11 
13 #include <IMP/Model.h>
14 #include <IMP/core/Hierarchy.h>
15 #include <IMP/Object.h>
16 #include <IMP/em/rigid_fitting.h>
17 #include <IMP/multifit/multifit_config.h>
18 #include "FittingSolutionRecord.h"
19 IMPMULTIFIT_BEGIN_NAMESPACE
20 
21 //! Fitting solutions reader
22 /**
23 \todo consider using TextInput
24  */
25 IMPMULTIFITEXPORT FittingSolutionRecords
26  read_fitting_solutions(const char *fitting_fn);
27 //! Write fitting solutions to a file
28 /**
29 \param[in] fitting_fn the fitting filename
30 \param[in] fit_sols the fitting solutions to write to file
31 \param[in] num_sols optional, only write the first num_sols fits.
32  */
33 IMPMULTIFITEXPORT void write_fitting_solutions(
34  const char *fitting_fn, const FittingSolutionRecords &fit_sols,
35  int num_sols = -1);
36 
37 IMPMULTIFITEXPORT FittingSolutionRecords
38  convert_em_to_multifit_format(const em::FittingSolutions &em_fits);
39 IMPMULTIFITEXPORT em::FittingSolutions convert_multifit_to_em_format(
40  const FittingSolutionRecords &multifit_fits);
41 
42 IMPMULTIFITEXPORT FittingSolutionRecords
43  convert_transformations_to_multifit_format(
44  const algebra::Transformation3Ds &trans);
45 
46 IMPMULTIFITEXPORT algebra::Transformation3Ds
47  convert_multifit_format_to_transformations(
48  const FittingSolutionRecords &recs);
49 
50 IMPMULTIFIT_END_NAMESPACE
51 #endif /* IMPMULTIFIT_FITTING_SOLUTIONS_READER_WRITER_H */
Decorator for helping deal with a hierarchy.
IMP::Vector< FittingSolutionRecord > FittingSolutionRecords
Storage of a model, its restraints, constraints and particles.
stored a multifit fitting solution
void write_fitting_solutions(const char *fitting_fn, const FittingSolutionRecords &fit_sols, int num_sols=-1)
Write fitting solutions to a file.
Simple 3D transformation class.
A shared base class to help in debugging and things.
IMP::Vector< Transformation3D > Transformation3Ds
FittingSolutionRecords read_fitting_solutions(const char *fitting_fn)
Fitting solutions reader.
Performs rigid fitting between a set of particles and a density map.