NMRRWSims/cpp
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Use unique_ptr instead of raw pointer

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Dominik Demuth
2026-03-08 11:28:02 +01:00
parent d44e762bf7
commit ef3cd31be6
27 changed files with 248 additions and 259 deletions
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39
src/sims.h
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@@ -7,38 +7,19 @@
#include <unordered_map>
#include <string>
#include <chrono>
#include <vector>
/**
* @brief Run simulation for spectra
*
* @param parameter Dictionary of parameter for simulation
* @param optional Dictionary of parameter set via command line
* @param motion Motion model
* @param dist Distribution of correlation times
*/
void run_spectrum(std::unordered_map<std::string, double>& parameter, std::unordered_map<std::string, double> optional, motions::BaseMotion& motion, times::BaseDistribution& dist);
struct Trajectory {
std::vector<double> time;
std::vector<double> phase;
std::vector<double> omega;
};
/**
* @brief Run simulation for stimulated echoes
*
* @param parameter Dictionary of parameter for simulation
* @param optional Dictionary of parameter set via command line
* @param motion Motion model
* @param dist Distribution of correlation times
*/
void run_ste(std::unordered_map<std::string, double>& parameter, std::unordered_map<std::string, double> optional, motions::BaseMotion& motion, times::BaseDistribution& dist);
void run_spectrum(std::unordered_map<std::string, double>& parameter, std::unordered_map<std::string, double> optional, motions::BaseMotion& motion, times::BaseDistribution& dist, std::mt19937_64& rng);
/**
* @brief Create trajectory of a single walker
*
* @param motion Motion model
* @param dist Distribution of correlation times
* @param t_max Double that defines maximum time of trajectory
* @param out_time Vector of waiting times
* @param out_phase Vector of phase between waiting times
* @param out_omega Vector of omega at jump time
*/
void make_trajectory(motions::BaseMotion& motion, times::BaseDistribution& dist, double t_max, std::vector<double>& out_time, std::vector<double>& out_phase, std::vector<double>& out_omega);
void run_ste(std::unordered_map<std::string, double>& parameter, std::unordered_map<std::string, double> optional, motions::BaseMotion& motion, times::BaseDistribution& dist, std::mt19937_64& rng);
Trajectory make_trajectory(motions::BaseMotion& motion, times::BaseDistribution& dist, double t_max, std::mt19937_64& rng);
std::chrono::system_clock::time_point printStart(std::unordered_map<std::string, double> &optional);
void printEnd(std::chrono::system_clock::time_point start);