26#ifndef MANAGER_MONITORINGMANAGER_H
27#define MANAGER_MONITORINGMANAGER_H
35#include <MonitorIn.hxx>
36#include <MonitorOut.hxx>
67 virtual void end() = 0;
80 void reload(
bool delPml =
true);
162 std::unique_ptr<mml::MonitoringIn>
mmlIn;
189 void buildMonitors();
195 void buildPmlAndSimulator(
bool delPml =
true);
197 void buildPmlAndSimulatorfromPml();
199 void buildPmlAndSimulatorfromSimulator();
206 double* oldPositionPointer;
214 std::string pmlFileName;
216 std::string lmlFileName;
218 std::string mmlFileName;
220 std::string mmlFileFolder;
#define MML_API
Definition MMLAPI.h:43
This class makes it possible to manage a list of "Load".
Definition Loads.h:71
A monitor calculate and store followed data (ex:calculation between current position and references) ...
Definition Monitor.h:49
void saveMmlIn(const char *fileName)
save current version of mml in
Definition MonitoringManager.cpp:417
Simulator * getSimulator()
Definition MonitoringManager.cpp:306
double refresh
refreshing step
Definition MonitoringManager.h:171
void saveMonitors()
Save save monitors' state for the current time.
Definition MonitoringManager.cpp:200
void setDt(double dt)
change dt and save modification into mmlIn
Definition MonitoringManager.cpp:393
std::vector< mml::TimeStep * > times
Vector that contains information saved by saveMonitors method.
Definition MonitoringManager.h:166
double computingTime
total computing time at current moment
Definition MonitoringManager.h:182
void writeCsv(const char *fileName)
Write all saved monitors'state into csv file.
Definition MonitoringManager.cpp:168
Simulator * simul
the simulator used for simualtion
Definition MonitoringManager.h:184
double getCurrentTime()
Definition MonitoringManager.cpp:237
void deleteMonitor(const unsigned int i)
delete a monitor and remove it from the list using its index
Definition MonitoringManager.cpp:371
void rewind()
Rewind simulation.
Definition MonitoringManager.cpp:445
double currentTime
time at current moment
Definition MonitoringManager.h:178
double getStepComputingTime()
Definition MonitoringManager.cpp:247
PhysicalModel * takePml()
This is nearly the same as getPml(), but it also transfers ownership of the pointer.
Definition MonitoringManager.cpp:268
unsigned int numberOfMonitor() const
get the number of monitors stored in the list
Definition MonitoringManager.cpp:388
bool isLmlPresent()
check if a lml is present
Definition MonitoringManager.cpp:486
std::vector< Monitor * > monitors
Vector that contains all monitors.
Definition MonitoringManager.h:164
Monitor * getMonitor(const unsigned int i) const
get a monitor by its index in the list
Definition MonitoringManager.cpp:378
double stepComputingTime
computing time of last step
Definition MonitoringManager.h:180
void setRefresh(double refresh)
change refresh and save modification into mmlIn
Definition MonitoringManager.cpp:399
std::unique_ptr< mml::MonitoringIn > mmlIn
Object representing manager in the file generated by xsdcxx, can be used for serialization.
Definition MonitoringManager.h:162
PhysicalModel * getInitPml()
Definition MonitoringManager.cpp:258
void setCurrentTime(double time)
mutators for simulation parameters
Definition MonitoringManager.cpp:313
int step
current step
Definition MonitoringManager.h:176
double dt
integration step
Definition MonitoringManager.h:169
double getRefresh()
Definition MonitoringManager.cpp:232
void getOldPosition(double pos[3], unsigned int index)
get atom position for precedent step
Definition MonitoringManager.cpp:335
PhysicalModel * getPml()
Definition MonitoringManager.cpp:263
void addMonitor(Monitor *monitor)
add a monitor to the list
Definition MonitoringManager.cpp:366
double getComputingTime()
Definition MonitoringManager.cpp:253
bool isPmlPresent()
check if a scn is present instead of pmlFileName
Definition MonitoringManager.cpp:481
std::string simulatorName
name of the simulator
Definition MonitoringManager.h:173
void writeOutput(const char *fileName)
Write all saved monitors' states into mmlOut file.
Definition MonitoringManager.cpp:137
std::string getmmlFileFolder()
Definition MonitoringManager.cpp:300
void setLmlFileName(const char *file)
change lml file name and save modification into mmlIn
Definition MonitoringManager.cpp:405
void reload(bool delPml=true)
reload simulation with current parameters
Definition MonitoringManager.cpp:462
std::string getLmlFileName()
Definition MonitoringManager.cpp:290
double getDt()
Definition MonitoringManager.cpp:227
void simulate()
perform simulation loop, make tests and save monitors' data into output file
Definition MonitoringManager.cpp:428
void setPmlFileName(const char *file)
change pml file name and save modification into mmlIn
Definition MonitoringManager.cpp:411
void updateComputingTime()
add step computing time to total computing time
Definition MonitoringManager.cpp:325
virtual bool checkStop()=0
Check if simulation is finished.
virtual void end()=0
End manager.
void updateCurrentTime()
add dt to current time
Definition MonitoringManager.cpp:319
Loads * getLml()
Definition MonitoringManager.cpp:274
virtual void doMove()=0
Do one step of simulation and save monitors for this step.
Loads * takeLml()
This is nearly the same as getLml(), but it also transfers ownership of the pointer.
Definition MonitoringManager.cpp:279
std::string getMmlFileName()
Definition MonitoringManager.cpp:295
void incStep()
increment step by one
Definition MonitoringManager.cpp:330
std::string getPmlFileName()
Definition MonitoringManager.cpp:285
MonitoringManager(const char *mml)
constructor
Definition MonitoringManager.cpp:44
double getCurrentStep()
Definition MonitoringManager.cpp:242
void storeOldPositions()
store old positions before next step
Definition MonitoringManager.cpp:361
virtual bool init()=0
Initialize manager.
This is the main class of this project.
Definition PhysicalModel.h:86
A simulator engine is used to compute the displacements of all atoms of the model.
Definition Simulator.h:46