StructurePreparationSettings.h

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#ifndef SWOOSE_STRUCTUREPREPARATIONSETTINGS_H
#define SWOOSE_STRUCTUREPREPARATIONSETTINGS_H

#include <Swoose/Utilities/SettingsPopulator.h>

namespace Scine {
namespace StructurePreparation {

class StructurePreparationSettings : public Scine::Utils::Settings {
 public:
  StructurePreparationSettings() : Settings("StructurePreparationSettings") {
    using namespace SwooseUtilities;
    SettingsPopulator::addPreparationDataDirectory(_fields);
    SettingsPopulator::addAtomicInformationFile(_fields, false);
    SettingsPopulator::addParameterAndConnectivityFile(_fields, false);
    SettingsPopulator::addSolvation(_fields);
    SettingsPopulator::addPhValueOfSystem(_fields);
    SettingsPopulator::addChargedCandNTermini(_fields);
    SettingsPopulator::addNumberOfSolventShells(_fields);
    resetToDefaults();
  };
};

} // namespace StructurePreparation
} // namespace Scine

#endif // SWOOSE_STRUCTUREPREPARATIONSETTINGS_H