MoleculeType * NFtest_tlbr::createL(System * s, int count)
{
vector <string> compName;
vector <string> defaultCompState;
vector < vector <string> > possibleCompStates;
compName.push_back("r0");
defaultCompState.push_back("No State");
vector <string> possibleR0states;
possibleCompStates.push_back(possibleR0states);
compName.push_back("r1");
defaultCompState.push_back("No State");
vector <string> possibleR1states;
possibleCompStates.push_back(possibleR1states);
compName.push_back("r2");
defaultCompState.push_back("No State");
vector <string> possibleR2states;
possibleCompStates.push_back(possibleR2states);
MoleculeType *L = new MoleculeType("L", compName, defaultCompState, possibleCompStates, s);
L->populateWithDefaultMolecules(count);
return L;
}
MoleculeType * NFtest_tlbr::createR(System * s, int count)
{
vector <string> compName;
vector <string> defaultCompState;
vector < vector <string> > possibleCompStates;
compName.push_back("l0");
defaultCompState.push_back("No State");
vector <string> possibleL0states;
possibleCompStates.push_back(possibleL0states);
compName.push_back("l1");
defaultCompState.push_back("No State");
vector <string> possibleL1states;
possibleCompStates.push_back(possibleL1states);
MoleculeType *R = new MoleculeType("R", compName, defaultCompState, possibleCompStates, s);
R->populateWithDefaultMolecules(count);
return R;
}
void NFtest_transcription::run()
{
cout<<"Running the transcription system"<<endl;
// 1)
System *s = new System("Transcription System");
// 2)
MoleculeType *molRNA = createRNA(s);
// 3) Instantiate the actual molecules (this populate function is the easiest way, but you can do it
// manually as well by creating each molecule separately - see the MoleculeType::populate function for
// an example on how this can be done).
molRNA->populateWithDefaultMolecules(500);
// 4) Create the reactions and add them to the system. These are calls to specific functions
// below where I set up the details of the reactions. The numbers are the rates and are in
// arbitrary units here. In general, the rates should be in units of per second.
ReactionClass * rna_degrade = createReactionRNAdegrades(molRNA, 0.5);
ReactionClass *rna_transcribe = createReactionRNAtranscribed(molRNA, 100.0);
s->addReaction(rna_degrade);
s->addReaction(rna_transcribe);
// 5) Add the observables that we want to track throughout the simulation. Again, to
// see how this is done, see the function below.
addObs(s, molRNA);
// 6) Prepare the system for simulation (this adds molecules to reactionLists
// and counts up the observables)
s->prepareForSimulation();
s->printAllReactions();
// 7) Register the output file name (This will put the file in your working directory)
// Here, you also want to output the header to the file, which is not done automatically
// because you can run a simulation with multiple calls to the sim functions.
s->registerOutputFileLocation("transcription_system_output.txt");
s->outputAllObservableNames();
//8) Run the simulation!
//You can optionally equilibrate the system for a set amount of time where output is not
//recorded (all times are in seconds) using this function where the first parameter is the
//length of the equilibration, and the second is the number of times we want to print a
//message that says how we are doing. After it equilibrates, the simulation time is reset to zero.
//The first parameter is the number of seconds we want to equilibrate. The second (optional) parameter
//is the number of times you want to print an 'ok' output message. If the second parameter is not
//given, nothing is outputted to the console.
s->equilibrate(0,10);
//There are two ways to run a simulation. First, you can just call the function sim as in:
s->sim(50,50);
//Calling this sim function is the easist way to run a simulation. The first parameter is the
//number of seconds you want to run for, the second is the number of times you want to output
//the results to the outputfile. So in this example, we run for 500 seconds and output 500 times,
//so we output once per second.
//The second way to run a simulation is to call this stepTo function:
cout<<endl<<endl<<"Calling the stepTo function and stepping to the system time t=600 seconds"<<endl;
double stoppingTime = s->stepTo(600);
cout<<"The last reaction was fired at simulation time: "<<stoppingTime<<endl<<endl;
//This function runs the simulation until the given time is reached, and it also returns the
//time of the simulation when the last reaction fired (which is now the current time in the
//system. This function does not output to a file automatically, so to output using this function,
//so to get results, you will have to use a call to this function:
s->outputAllObservableCounts();
//The stepTo function will have to be written as part of a loop where you decide when it should
//output. This gives you more control, but of course requires more work.
//Here we can print out the list of reactions. This is nice because it tells us how many times
//a reaction fired, and how many molecules are in each list at the end of the simulation
s->printAllReactions();
//Be nice and clean up when we are done. Deleting the system (should) delete everything else
//associated with the system, so we don't ever have to remember to delete individual reactions, molecules
//moleculeTypes, etc...
delete s;
}