| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | #pragma once | ||
| 2 | |||
| 3 | #include <H5Cpp.h> | ||
| 4 | #include <string> | ||
| 5 | #include <unordered_map> | ||
| 6 | #include <vector> | ||
| 7 | #include <yaml-cpp/yaml.h> | ||
| 8 | |||
| 9 | #include "integrator.hpp" | ||
| 10 | #include "particle.hpp" | ||
| 11 | #include "system.hpp" | ||
| 12 | #include "types.hpp" | ||
| 13 | |||
| 14 | struct Stage; | ||
| 15 | class System; | ||
| 16 | class Integrator; | ||
| 17 | |||
| 18 | class Timeseries { | ||
| 19 | public: | ||
| 20 | inline static std::unordered_map<std::string, double (*)(System *s, Integrator *i)> functions = { | ||
| 21 | {"weight", [](System *s, Integrator *i) -> double { return i->weight(); }}, | ||
| 22 | {"E", [](System *s, Integrator *i) -> double { return s->E; }}, | ||
| 23 | {"N", [](System *s, Integrator *i) -> double { return s->particles.size(); }}, | ||
| 24 | {"Nupper", | ||
| 25 | ✗ | [](System *s, Integrator *i) -> double { | |
| 26 | ✗ | int count = 0; | |
| 27 | ✗ | Vec &L = s->L; | |
| 28 | ✗ | const std::vector<Particle> &particles = s->particles; | |
| 29 | ✗ | double Lzhalf = L[DIM - 1] / 2; | |
| 30 | ✗ | for (const Particle &p : particles) { | |
| 31 | ✗ | if (p.r[DIM - 1] > Lzhalf) { | |
| 32 | ✗ | count++; | |
| 33 | } | ||
| 34 | } | ||
| 35 | ✗ | return count; | |
| 36 | }}, | ||
| 37 | {"Nlower", | ||
| 38 | ✗ | [](System *s, Integrator *i) -> double { | |
| 39 | ✗ | int count = 0; | |
| 40 | ✗ | Vec &L = s->L; | |
| 41 | ✗ | const std::vector<Particle> &particles = s->particles; | |
| 42 | ✗ | double Lzhalf = L[DIM - 1] / 2; | |
| 43 | ✗ | for (const Particle &p : particles) { | |
| 44 | ✗ | if (p.r[DIM - 1] <= Lzhalf) { | |
| 45 | ✗ | count++; | |
| 46 | } | ||
| 47 | } | ||
| 48 | ✗ | return count; | |
| 49 | }}, | ||
| 50 | {"RSwM-rejections", | ||
| 51 | [](System *s, Integrator *i) -> double { | ||
| 52 | return static_cast<BrownianHeunEulerRSwM *>(i)->rejections; | ||
| 53 | }}, | ||
| 54 | {"RSwM-error", | ||
| 55 | [](System *s, Integrator *i) -> double { | ||
| 56 | return static_cast<BrownianHeunEulerRSwM *>(i)->error; | ||
| 57 | }}, | ||
| 58 | {"MonteCarlo-acceptRatio", | ||
| 59 | [](System *s, Integrator *i) -> double { | ||
| 60 | return static_cast<MonteCarlo *>(i)->acceptRatio; | ||
| 61 | }}, | ||
| 62 | {"NoseHoover-xi", | ||
| 63 | [](System *s, Integrator *i) -> double { | ||
| 64 | return static_cast<MolecularNoseHooverVelocityVerlet *>(i)->xi1; | ||
| 65 | }}, | ||
| 66 | }; | ||
| 67 | |||
| 68 | Stage *stage; | ||
| 69 | System *system; | ||
| 70 | Integrator *integrator; | ||
| 71 | std::vector<double> step; | ||
| 72 | std::vector<double> time; | ||
| 73 | std::vector<std::string> keys; | ||
| 74 | std::unordered_map<std::string, std::vector<double>> data; | ||
| 75 | |||
| 76 | Timeseries(System *system, Integrator *integrator, const YAML::Node &config); | ||
| 77 | |||
| 78 | void record(); | ||
| 79 | }; | ||
| 80 |