traj_file_reader.h

#ifndef TRAJ_FILE_READER_H
#define TRAJ_FILE_READER_H
 
#include "pteros/core/logging.h"
#include "pteros/analysis/options.h"
#include "message_channel.h"
#include "data_container.h"
#include <thread>
 
namespace pteros {
 
using DataChannel = MessageChannel<std::shared_ptr<pteros::DataContainer> > ;
using DataChannel_ptr = std::shared_ptr<DataChannel> ;
 
 
class Traj_file_reader {
public:
    Traj_file_reader(Options& options, int natoms);
 
    bool is_frame_valid(int fr, float t);
 
    bool is_end_of_interval(int fr, float t);
 
 
    void run(const std::vector<std::string>& traj_files, const DataChannel_ptr& ch);
 
    ~Traj_file_reader();
 
    void join();
 
    void reader_thread_body(const std::vector<std::string>& traj_files, const DataChannel_ptr &channel);
 
private:
    int Natoms; // Number of atoms requested in trajectory
 
    int log_interval;
    float custom_start_time;
    float custom_dt;
    int first_frame, last_frame;
    float first_time, last_time;
    int skip;
 
    std::thread t;
    bool stop_now; // Emergency stop flag
    std::shared_ptr<spdlog::logger> log;
};
 
}
 
#endif // TRAJ_FILE_READER_H