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