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