QmRegionSelectorSettings.h

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#ifndef SWOOSE_QMMM_QMREGIONSELECTORSETTINGS_H
#define SWOOSE_QMMM_QMREGIONSELECTORSETTINGS_H

#include <Swoose/Utilities/SettingsPopulator.h>

namespace Scine {
namespace Qmmm {

class QmRegionSelectorSettings : public Utils::Settings {
 public:
  QmRegionSelectorSettings() : Settings("QmRegionSelectorSettings") {
    using namespace SwooseUtilities;
    SettingsPopulator::addQmRegionCenterAtoms(_fields);
    SettingsPopulator::addAtomicInformationFile(_fields);
    SettingsPopulator::addParameterAndConnectivityFile(_fields, false);
    SettingsPopulator::addInitialRadius(_fields);
    SettingsPopulator::addCuttingProbability(_fields);
    SettingsPopulator::addQmRegionSizesSettings(_fields);
    SettingsPopulator::addNumAttemptsPerRadiusOption(_fields);
    SettingsPopulator::addMaxNumRefModelsOption(_fields);
    SettingsPopulator::addTolerancesForQmRegionSelection(_fields);
    SettingsPopulator::addReferenceDataGenerationOptions(_fields, false);
    SettingsPopulator::addQmRegionSelectionRandomSeed(_fields);
    SettingsPopulator::addReuseDatabaseOption(_fields);
    SettingsPopulator::addMethodFamily(_fields);
    SettingsPopulator::addProgram(_fields);
    SettingsPopulator::addYamlSettingsForDirectMode(_fields); // used only for internal use by app and python bindings

    // Database related settings:
    SettingsPopulator::addDatabaseSettings(_fields, "scine_swoose_qm_region_selection");
    SettingsPopulator::addDatabaseSleepTime(_fields);

    resetToDefaults();
  };
};

} // namespace Qmmm
} // namespace Scine

#endif // SWOOSE_QMMM_QMREGIONSELECTORSETTINGS_H