OptimizationFactory.cpp

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 * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
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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).
 */
 
#include "optimization/OptimizationFactory.hpp"
 
#include "optimization/OptimizationCreator.hpp"
#include "utils/MemoryUtils.hpp"
 
namespace OpenMD {
 
  OptimizationFactory::~OptimizationFactory() {
    Utils::deletePointers(creatorMap_);
  }
 
  bool OptimizationFactory::registerOptimization(OptimizationCreator* creator) {
    return creatorMap_
        .insert(CreatorMapType::value_type(creator->getIdent(), creator))
        .second;
  }
 
  bool OptimizationFactory::unregisterOptimization(const std::string& id) {
    return creatorMap_.erase(id) == 1;
  }
 
  QuantLib::OptimizationMethod* OptimizationFactory::createOptimization(
      const std::string& id, SimInfo*) {
    CreatorMapType::iterator i = creatorMap_.find(id);
    if (i != creatorMap_.end()) {
      // invoke functor to create object
      return (i->second)->create();
    } else {
      return NULL;
    }
  }
 
  std::vector<std::string> OptimizationFactory::getIdents() {
    IdentVectorType idents;
    CreatorMapType::iterator i;
 
    for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
      idents.push_back(i->first);
    }
 
    return idents;
  }
 
  std::ostream& operator<<(std::ostream& o, OptimizationFactory& factory) {
    OptimizationFactory::IdentVectorType idents;
    OptimizationFactory::IdentVectorIterator i;
 
    idents = factory.getIdents();
 
    o << "Avaliable type identifiers in this factory: " << std::endl;
    for (i = idents.begin(); i != idents.end(); ++i) {
      o << *i << std::endl;
    }
 
    return o;
  }
 
}  // namespace OpenMD