OptimizationFactory.hpp

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 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
#ifndef OPTIMIZATION_OPTIMIZATIONFACTORY_HPP
#define OPTIMIZATION_OPTIMIZATIONFACTORY_HPP
 
#include <cassert>
#include <iostream>
#include <map>
#include <string>
#include <vector>
 
#include "optimization/Method.hpp"
 
using namespace QuantLib;
namespace OpenMD {
 
  // forward declaration
  class OptimizationCreator;
  class SimInfo;
 
  /**
   * @class OptimizationFactory
   * Factory pattern and Singleton Pattern are used to define an interface for
   * creating an Optimization.
   */
  class OptimizationFactory {
  public:
    using CreatorMapType      = std::map<std::string, OptimizationCreator*>;
    using IdentVectorType     = std::vector<std::string>;
    using IdentVectorIterator = std::vector<std::string>::iterator;
 
    /**
     * Returns an instance of Optimization factory
     * @return an instance of Optimization factory
     */
    static OptimizationFactory& getInstance() {
      static OptimizationFactory instance {};
      return instance;
    }
 
    /**
     * Registers a creator with a type identifier
     * @return true if registration is succeed, otherwise return false
     * @param creator the object responsible to create the concrete object
     */
    bool registerOptimization(OptimizationCreator* creator);
 
    /**
     * Unregisters the creator for the given type identifier. If the type
     * identifier was previously registered, the function returns true.
     * @return truethe type identifier was previously registered and the creator
     * is removed, otherwise return false
     * @param id the identification of the concrete object
     */
 
    bool unregisterOptimization(const std::string& id);
 
    /**
     * Looks up the type identifier in the internal map. If it is found, it
     * invokes the corresponding creator for the type identifier and returns its
     * result.
     * @return a pointer of the concrete object, return NULL if no creator is
     * registed for creating this concrete object
     * @param id the identification of the concrete object
     * @param info pointer to the SimInfo object
     */
    QuantLib::OptimizationMethod* createOptimization(const std::string& id,
                                                     SimInfo* info);
 
    /**
     *  Returns all of the registed  type identifiers
     * @return all of the registed  type identifiers
     */
    IdentVectorType getIdents();
 
  private:
    OptimizationFactory() = default;
    ~OptimizationFactory();
 
    OptimizationFactory(const OptimizationFactory&)            = delete;
    OptimizationFactory& operator=(const OptimizationFactory&) = delete;
 
    CreatorMapType creatorMap_;
  };
 
  /** write out all of the type identifiers to an output stream */
  std::ostream& operator<<(std::ostream& o, OptimizationFactory& factory);
}  // namespace OpenMD
 
#endif  // OPTIMIZATIONS_OPTIMIZATIONFACTORY_HPP