change saving

src/motions/base.cpp

@@ -7,6 +7,7 @@
 #include "tetrahedral.h"
 
 #include <stdexcept>
+#include <map>
 
 Motion::Motion(std::string name, const double delta, const double eta, std::mt19937_64& rng) : m_name(std::move(name)), m_delta(delta), m_eta(eta), m_rng(rng) {
     m_uni_dist = std::uniform_real_distribution(0., 1.);
@@ -57,6 +58,12 @@ void Motion::setParameters(const std::unordered_map<std::string, double> &parame
     m_eta = parameters.at("eta");
 }
 
+std::unordered_map<std::string, double> Motion::getParameters() const {
+    return std::unordered_map<std::string, double>{
+        {"delta", m_delta},
+        {"eta", m_eta}
+    };
+}
 
 std::ostream& operator<<(std::ostream& os, const Motion& m) {
     os << m.getName();

src/motions/base.h

@@ -21,7 +21,7 @@ public:
     virtual double jump() = 0;
 
     virtual void setParameters(const std::unordered_map<std::string, double>&);
-
+    [[nodiscard]] virtual std::unordered_map<std::string, double> getParameters() const;
     [[nodiscard]] double getDelta() const { return m_delta; }
     void setDelta(const double delta) { m_delta = delta; }
     [[nodiscard]] double getEta() const { return m_eta; }
@@ -29,6 +29,8 @@ public:
     [[nodiscard]] std::string getName() const { return m_name; }
     [[nodiscard]] double getInitOmega() const { return m_initial_omega; };
 
+    [[nodiscard]] virtual std::string toString() const = 0;
+
     static Motion* createFromInput(const std::string& input, std::mt19937_64& rng);
 
 protected:

src/motions/bimodalangle.cpp

@@ -29,3 +29,15 @@ void BimodalAngle::setParameters(const std::unordered_map<std::string, double> &
     m_angle2 = parameter.at("angle2") * M_PI / 180.;
     m_prob = parameter.at("probability1");
 }
+
+std::unordered_map<std::string, double> BimodalAngle::getParameters() const {
+    auto parameter = Motion::getParameters();
+    parameter["angle1"] = m_angle1 * 180 / M_PI;
+    parameter["angle2"] = m_angle2 * 180 / M_PI;
+    parameter["probality1"] = m_prob;
+    return parameter;
+}
+
+std::string BimodalAngle::toString() const {
+    return std::string{"BimodalAngle/angle1=" + std::to_string(m_angle1 * 180 / M_PI) + "/angle2=" + std::to_string(m_angle2 * 180 / M_PI) + "/probability1=" + std::to_string(m_prob)};
+}

src/motions/bimodalangle.h

@@ -12,6 +12,8 @@ public:
     void initialize() override;
     double jump() override;
     void setParameters(const std::unordered_map<std::string, double> &) override;
+    [[nodiscard]] std::unordered_map<std::string, double> getParameters() const override;
+    [[nodiscard]] std::string toString() const override;
 
 protected:
     double m_angle1{0};

src/motions/isosmallangle.cpp

@@ -25,3 +25,13 @@ void SmallAngle::setParameters(const std::unordered_map<std::string, double> &pa
     m_chi = parameters.at("angle") * M_PI / 180.0;
     Motion::setParameters(parameters);
 }
+
+std::unordered_map<std::string, double> SmallAngle::getParameters() const {
+    auto parameter = Motion::getParameters();
+    parameter["angle"] = m_chi * 180 / M_PI;
+    return parameter;
+}
+
+std::string SmallAngle::toString() const {
+    return std::string{"IsotropicAngle/angle=" + std::to_string(m_chi * 180 / M_PI)};
+}

src/motions/isosmallangle.h

@@ -13,6 +13,8 @@ public:
     void initialize() override;
     double jump() override;
     void setParameters(const std::unordered_map<std::string, double> &) override;
+    [[nodiscard]] std::unordered_map<std::string, double> getParameters() const override;
+    [[nodiscard]] std::string toString() const override;
 
 private:
     double m_chi{0};

src/motions/random.cpp

@@ -6,6 +6,10 @@ RandomJump::RandomJump(const double delta, const double eta, std::mt19937_64 &rn
 
 RandomJump::RandomJump(std::mt19937_64 &rng) : Motion(std::string("RandomJump"), rng) {}
 
+std::string RandomJump::toString() const {
+    return {"RandomJump"};
+}
+
 void RandomJump::initialize() {
     m_initial_omega = RandomJump::jump();
 }

src/motions/random.h

@@ -10,6 +10,8 @@ public:
     RandomJump(double, double, std::mt19937_64&);
     explicit RandomJump(std::mt19937_64&);
 
+    [[nodiscard]] std::string toString() const override;
+
     void initialize() override;
     double jump() override;
 };

src/motions/tetrahedral.cpp

@@ -28,3 +28,7 @@ double TetrahedralJump::jump() {
 
     return m_corners[m_corner_idx];
 }
+
+std::string TetrahedralJump::toString() const {
+    return {"FourSiteTetrahedral"};
+}

src/motions/tetrahedral.h

@@ -14,6 +14,8 @@ public:
     void initialize() override;
     double jump() override;
 
+    [[nodiscard]] std::string toString() const override;
+
 private:
     const double m_beta{std::acos(-1/3.)};
 
@@ -24,5 +26,4 @@ private:
 
 };
 
-
 #endif //RWSIM_MOTIONTETRAHEDRAL_H

src/simulation/sims.cpp

@@ -72,8 +72,9 @@ void run_spectrum(
     }
 
     // write fid to files
-    save_parameter_to_file("timesignal", motion.getName(), dist.getName(), parameter, optional);
-    save_data_to_file("timesignal", motion.getName(), dist.getName(), t_fid, fid_dict, optional);
+    const auto path = make_directory(motion, dist);
+    save_parameter_to_file(std::string("timesignal"), path, parameter, optional);
+    save_data_to_file(std::string("timesignal"), path, t_fid, fid_dict, optional);
 
     printEnd(start);
 }
@@ -163,10 +164,11 @@ void run_ste(
     }
 
     // write to files
-    save_parameter_to_file("ste", motion.getName(), dist.getName(), parameter, optional);
-    save_data_to_file("coscos", motion.getName(), dist.getName(), mixing_times, cc_dict, optional);
-    save_data_to_file("sinsin", motion.getName(), dist.getName(), mixing_times, ss_dict, optional);
-    save_data_to_file("f2", motion.getName(), dist.getName(), mixing_times, f2, optional);
+    const auto folders = make_directory(motion, dist);
+    save_parameter_to_file(std::string("ste"), folders, parameter, optional);
+    save_data_to_file(std::string("coscos"), folders, mixing_times, cc_dict, optional);
+    save_data_to_file(std::string("sinsin"), folders, mixing_times, ss_dict, optional);
+    save_data_to_file(std::string("f2"), folders, mixing_times, f2, optional);
 
     printEnd(start);
 }

src/times/base.cpp

@@ -16,6 +16,13 @@ void Distribution::setParameters(const std::unordered_map<std::string, double> &
     m_tau = parameters.at("tau");
 }
 
+std::unordered_map<std::string, double> Distribution::getParameters() const {
+    return std::unordered_map<std::string, double>{
+        {"tau", m_tau},
+    };
+}
+
+
 Distribution* Distribution::createFromInput(const std::string& input, std::mt19937_64& rng) {
     if (input == "Delta")
         return new DeltaDistribution(rng);

src/times/base.h

@@ -16,11 +16,14 @@ public:
     [[nodiscard]] std::string getName() const { return m_name; };
 
     virtual void setParameters(const std::unordered_map<std::string, double>&);
+    [[nodiscard]] virtual std::unordered_map<std::string, double> getParameters() const;
 
     virtual void initialize() = 0;
     virtual void draw_tau() = 0;
     [[nodiscard]] double tau_wait() const;
 
+    [[nodiscard]] virtual std::string toString() const = 0;
+
     static Distribution* createFromInput(const std::string& input, std::mt19937_64& rng);
 
 protected:

src/times/delta.cpp

@@ -9,3 +9,7 @@ void DeltaDistribution::initialize() {
 
 void DeltaDistribution::draw_tau() {}
 
+std::string DeltaDistribution::toString() const {
+    return {"Delta/tau=" + std::to_string(m_tau)};
+}
+

src/times/delta.h

@@ -10,6 +10,8 @@ public:
 
     void initialize() override;
     void draw_tau() override;
+
+    [[nodiscard]] std::string toString() const override;
 };
 
 #endif //RWSIM_TIMESDELTA_H

src/times/lognormal.cpp

@@ -9,6 +9,12 @@ void LogNormalDistribution::setParameters(const std::unordered_map<std::string,
     Distribution::setParameters(parameters);
 }
 
+std::unordered_map<std::string, double> LogNormalDistribution::getParameters() const {
+    auto parameter = Distribution::getParameters();
+    parameter["sigma"] = m_sigma;
+    return parameter;
+}
+
 void LogNormalDistribution::initialize() {
     m_distribution = std::lognormal_distribution(std::log(m_tau), m_sigma);
     m_tau_jump = m_distribution(m_rng);
@@ -17,3 +23,7 @@ void LogNormalDistribution::initialize() {
 void LogNormalDistribution::draw_tau() {
     m_tau_jump = m_distribution(m_rng);
 }
+
+std::string LogNormalDistribution::toString() const {
+    return {"LogNormal/tau=" + std::to_string(m_tau) + "/sigma=" + std::to_string(m_sigma)};
+}

src/times/lognormal.h

@@ -3,7 +3,6 @@
 
 #include "base.h"
 #include <random>
-#include <set>
 
 class LogNormalDistribution final : public Distribution {
 public:
@@ -11,6 +10,9 @@ public:
     explicit LogNormalDistribution(std::mt19937_64 &rng);
 
     void setParameters(const std::unordered_map<std::string, double> &) override;
+    [[nodiscard]] std::unordered_map<std::string, double> getParameters() const override;
+
+    [[nodiscard]] std::string toString() const override;
 
     void initialize() override;
     void draw_tau() override;

src/utils/io.cpp

@@ -7,11 +7,15 @@
 #include <complex>
 #include <vector>
 #include <iomanip>
-#include <unordered_map>
 #include <map>
 #include <string>
 #include <filesystem>
 
+#include "../motions/base.h"
+#include "../times/base.h"
+
+
+class Motion;
 
 std::pair<std::string, double> get_optional_parameter(std::vector<std::string>::const_iterator &it) {
     std::string stripped_arg;
@@ -124,16 +128,30 @@ std::unordered_map<std::string, double> read_parameter(const std::filesystem::pa
 }
 
 
+std::string make_directory(
+    const Motion& motion,
+    const Distribution& distribution
+    ) {
+    std::ostringstream path_name;
+    path_name << motion.toString() << "/" << distribution.toString();
+
+    if (!std::filesystem::create_directories(path_name.str())) {
+        std::cout << "Created directory " << path_name.str() << std::endl;
+    }
+
+
+    return path_name.str();
+}
+
+
 void save_parameter_to_file(
     const std::string& resulttype,
-    const std::string& motiontype,
-    const std::string& disttype,
-    std::unordered_map<std::string, double>& parameter,
-    std::unordered_map<std::string, double>& optional
+    const std::string& directory,
+    const std::unordered_map<std::string, double>& parameter,
+    const std::unordered_map<std::string, double>& optional
     ) {
-
     std::ostringstream parameter_filename;
-    parameter_filename << resulttype << "_" << motiontype << "_" << disttype;
+    parameter_filename << directory << "/" << resulttype;
 
     parameter_filename << std::setprecision(6) << std::scientific;
     for (const auto& [key, value]: optional) {
@@ -155,15 +173,15 @@ void save_parameter_to_file(
 
 void save_data_to_file(
     const std::string& resulttype,
-    const std::string& motiontype,
-    const std::string& disttype,
+    const std::string& directory,
     const std::vector<double>& x,
     const std::map<double, std::vector<double>>& y,
-    std::unordered_map<std::string, double>& optional
+    const std::unordered_map<std::string, double>& optional
     ) {
     // make file name
     std::ostringstream datafile_name;
-    datafile_name << resulttype << "_" << motiontype << "_" << disttype;
+    datafile_name << directory << "/" << resulttype;
+
     datafile_name << std::setprecision(6) << std::scientific;
     for (const auto& [key, value]: optional) {
         datafile_name << "_" << key << "=" << value;
@@ -196,15 +214,15 @@ void save_data_to_file(
 
 void save_data_to_file(
     const std::string& resulttype,
-    const std::string& motiontype,
-    const std::string& disttype,
+    const std::string& directory,
     const std::vector<double>& x,
     const std::vector<double>& y,
-    std::unordered_map<std::string, double>& optional
+    const std::unordered_map<std::string, double>& optional
     ) {
     // make file name
     std::ostringstream datafile_name;
-    datafile_name << resulttype << "_" << motiontype << "_" << disttype;
+    datafile_name << directory << "/" << resulttype;
+
     datafile_name << std::setprecision(6) << std::scientific;
     for (const auto& [key, value]: optional) {
         datafile_name << "_" << key << "=" << value;

src/utils/io.h

@@ -7,6 +7,9 @@
 #include <filesystem>
 #include <vector>
 
+#include "../motions/base.h"
+#include "../times/base.h"
+
 struct Arguments {
     std::string parameter_file{};
     bool ste = false;
@@ -18,12 +21,12 @@ struct Arguments {
 
 Arguments parse_args(int argc, char* argv[]);
 std::pair<std::string, double> get_optional_parameter(std::vector<std::string>::const_iterator &it);
-
 std::unordered_map<std::string, double> read_parameter(const std::filesystem::path&);
 
+std::string make_directory(const Motion&, const Distribution&);
 
-void save_parameter_to_file(const std::string&, const std::string&, const std::string&, std::unordered_map<std::string, double>&, std::unordered_map<std::string, double>&);
-void save_data_to_file(const std::string&, const std::string&, const std::string&, const std::vector<double>&, const std::map<double, std::vector<double>>&, std::unordered_map<std::string, double>&);
-void save_data_to_file(const std::string&, const std::string&, const std::string&, const std::vector<double>&, const std::vector<double>&, std::unordered_map<std::string, double>&);
+void save_parameter_to_file(const std::string&, const std::string&, const std::unordered_map<std::string, double>&, const std::unordered_map<std::string, double>&);
+void save_data_to_file(const std::string&, const std::string&, const std::vector<double>&, const std::map<double, std::vector<double>>&, const std::unordered_map<std::string, double>&);
+void save_data_to_file(const std::string&, const std::string&, const std::vector<double>&, const std::vector<double>&, const std::unordered_map<std::string, double>&);
 
 #endif