/* * MPQCFragmentController.hpp * * Created on: Aug 27, 2012 * Author: heber */ #ifndef MPQCFRAGMENTCONTROLLER_HPP_ #define MPQCFRAGMENTCONTROLLER_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "Fragmentation/Automation/SpecificFragmentController.hpp" #include #include #include #include #include "JobMarket/JobId.hpp" #include "Jobs/MPQCData.hpp" /** This class uses SpecificFragmentController with functions to add specificly * VMGJobs. */ class MPQCFragmentController : public SpecificFragmentController { public: MPQCFragmentController(boost::asio::io_service &io_service) : SpecificFragmentController(io_service), level(5) {} virtual ~MPQCFragmentController() {} bool addJobsFromFiles( const std::string &executable, const std::vector< boost::filesystem::path > &jobfiles); void getResults(std::map &fragmentData) { SpecificFragmentController::getResults(fragmentData); } void setLevel(const size_t _level) { level = _level; } private: void parsejob( std::vector &jobs, const std::string &command, const std::string &filename, const JobId_t nextid); private: //!> resolution of sampled electron density as \f$2^{\text{level}}\f$ size_t level; }; #endif /* MPQCFRAGMENTCONTROLLER_HPP_ */