PM6Settings.h

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#ifndef SPARROW_PM6SETTINGS_H
#define SPARROW_PM6SETTINGS_H

#include <Utils/Settings.h>
#include <Utils/UniversalSettings/SettingPopulator.h>

namespace Scine {
namespace Sparrow {

class PM6Settings : public Scine::Utils::Settings {
 public:
  PM6Settings() : Settings("PM6MethodWrapper") {
    Utils::UniversalSettings::SettingPopulator::populateLcaoSettings(_fields);
    Utils::UniversalSettings::SettingPopulator::populateScfSettings(_fields);
    Utils::UniversalSettings::SettingPopulator::populateSemiEmpiricalSettings(_fields, "");

    Utils::UniversalSettings::BoolDescriptor useNDDODipoleApprox("Sets use of NDDO dipole approximation.");
    useNDDODipoleApprox.setDefaultValue(true);
    _fields.push_back(Utils::SettingsNames::NDDODipoleApproximation, std::move(useNDDODipoleApprox));

    // Method
    Utils::UniversalSettings::StringDescriptor method("The method to be used.");
    method.setDefaultValue("pm6");
    _fields.push_back(Utils::SettingsNames::method, method);

    resetToDefaults();
  };
};

} // namespace Sparrow
} // namespace Scine

#endif // SPARROW_PM6SETTINGS_H