CommandLineOptions.h

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#ifndef SPARROW_COMMANDLINEOPTIONS_H
#define SPARROW_COMMANDLINEOPTIONS_H

#include <memory>
#include <ostream>

namespace Scine {
namespace Core {
class Log;
} // namespace Core
namespace Utils {
class Settings;
} // namespace Utils
namespace Sparrow {

class CommandLineOptions {
 public:
  CommandLineOptions(int argc, char* argv[]);
  ~CommandLineOptions();

  std::string getCallStatement() const;
  bool helpRequired() const;
  bool outputToFileRequired() const;

  std::string getSelectedMethodName() const;
  std::string getStructureCoordinatesFile() const;
  std::string getCalculationDescription() const;
  std::string getLoggerVerbosity() const;
  std::string getLogFilename() const;
  int getNumberOfOrbitalSteers() const;
  bool gradientRequired() const;
  bool hessianRequired() const;
  bool atomicHessiansRequired() const;
  bool bondOrdersRequired() const;
  bool suppressNormalModes() const;
  bool excitedStatesRequired() const;
  bool orbitalSteeringRequired() const;
  bool wavefunctionRequired() const;
  bool thermochemistryRequired() const;
  bool pruneBasis() const;

  void updateLogger(Core::Log& log) const;
  void updateSettings(Utils::Settings& settingsToUpdate) const;
  void updateExcitedStatesSettings(Utils::Settings& settingsToUpdate) const;
  void updateOrbitalSteeringSettings(Utils::Settings& settingsToUpdate) const;

  void printHelp(std::ostream& out) const;

 private:
  struct Impl;
  std::unique_ptr<Impl> pImpl_;

  std::string generateCallStatement(int argc, char* argv[]) const;

  template<class CharType>
  bool validOptionToSet(CharType optionIdentifier, const Utils::Settings& settings) const;

  template<class CharPtrType, class StringType>
  std::string combineNamesForOptions(CharPtrType nameOfOption, StringType abbreviatedOption) const;
};

} // namespace Sparrow
} // namespace Scine

#endif // SPARROW_COMMANDLINEOPTIONS_H