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boost::program_options::options_description | add_options (void) const |
| Virtual method for adding options to the module. More...
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bool | load (unsigned verbose, std::ostream &out) |
| Loads the data. More...
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bool | check_options (std::string &message) const |
| Checks that the input options' values are coherent. More...
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std::string | get_name (void) const |
| Return the name of the class itself. More...
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std::string | get_output_prefix (void) const |
| Returns a prefix that concatains the input line options used when running the module. More...
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template<class ExplorationAlgorithm > |
void | update_after_selection (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s) |
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template<class ExplorationAlgorithm > |
void | update_after_insertion (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s) |
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template<class ExplorationAlgorithm > |
void | update_after_tuning (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s) |
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template<class ExplorationAlgorithm > |
const FT & | get_initial_temperature (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
const FT & | get_initial_displace_delta (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
const FT & | get_temperature (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
void | set_temperature (ExplorationAlgorithm &explorer, const FT &temperature) |
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template<class ExplorationAlgorithm > |
const FT & | get_lambda_T (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
const FT & | get_displace_delta (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
void | set_displace_delta (ExplorationAlgorithm &explorer, const FT &displace_delta) |
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template<class ExplorationAlgorithm > |
const FT & | get_lambda_D (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
const FT & | get_epsilon_height (ExplorationAlgorithm &explorer) const |
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template<class ExplorationAlgorithm > |
const FT & | get_epsilon_distance (ExplorationAlgorithm &explorer) const |
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template<class Archive > |
void | serialize (Archive &ar, const unsigned BOOST_PFTO int version) |
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template<class NumberType, class Distance>
class T_Exploration_parameters_default< NumberType, Distance >
Default representation of the parameters of the exploration algorithm.
The default parameters are the temperature, lambda_T, the displace delta and lambda_D. There are also epsilon values on the energies and distances between conformations when checking if two conformations are similar. In order to initialize the parameters when starting the algorithm, this class is a loader (see package Module_base)Only the temperature and the displace delta evolves during the algorithm: all values are stored in a list for possible analysis of temperature and displace delta evolution during the algorithm. Note that parameters can be updated after the selection, after the extension or after the insertion. By default, they are updated after the insertion. This does not prevent the algorithm to update part of the parameters for its own purpose.
- Template Parameters
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NumberType | Output number type of the distance. |
Distance | Distance functor between two conformations. |