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Last change
on this file since b5b114 was 0ea063, checked in by Frederik Heber <heber@…>, 11 years ago |
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Extracted SavePotentialsAction.
- PotentialTrainer::StorePotentials removed.
- Fit...Actions do not store anymore.
- TESTFIX: potential regression tests now use save-potentials and compare
against stored file.
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-
Property mode
set to
100644
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File size:
1.1 KB
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| [98d166] | 1 | /*
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| 2 | * PotentialTrainer.hpp
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| 3 | *
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| 4 | * Created on: Sep 11, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef POTENTIALTRAINER_HPP_
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| 9 | #define POTENTIALTRAINER_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include <boost/filesystem/path.hpp>
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| 17 | #include <vector>
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| 18 |
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| 19 | #include "Potentials/SerializablePotential.hpp"
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| 20 |
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| 21 | class element;
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| 22 | class HomologyContainer;
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| 23 | class HomologyGraph;
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| 24 |
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| 25 | /** This class is a functor for training a (compound) potential from homologies.
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| 26 | *
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| 27 | */
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| 28 | class PotentialTrainer
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| 29 | {
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| 30 | public:
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| 31 | PotentialTrainer();
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| 32 | ~PotentialTrainer();
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| 33 |
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| 34 | bool operator()(
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| 35 | const HomologyContainer &_homologies,
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| 36 | const HomologyGraph &_graph,
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| 37 | const boost::filesystem::path &_trainingfile,
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| 38 | const double _threshold,
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| 39 | const unsigned int _best_of_howmany) const;
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| 40 |
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| 41 | static
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| 42 | HomologyGraph getFirstGraphwithSpecifiedElements(
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| 43 | const HomologyContainer &homologies,
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| 44 | const SerializablePotential::ParticleTypes_t &types);
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| 45 |
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| 46 | static
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| 47 | SerializablePotential::ParticleTypes_t getNumbersFromElements(
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| 48 | const std::vector<const element *> &fragment);
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| 49 | };
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| 50 |
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| 51 |
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| 52 | #endif /* POTENTIALTRAINER_HPP_ */
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