int doIt(void)
{
int i ;
cvodeSettings_t *settings, *set2;
variableIndex_t *s1, *s2;
integratorInstance_t *integratorInstance;
odeModel_t *model =
ODEModel_createFromFile("basic-model1-forward-l2.xml");
RETURN_ON_ERRORS_WITH(1)
s1 = ODEModel_getVariableIndex(model, "S1");
s2 = ODEModel_getVariableIndex(model, "S2");
/* Creating settings with default values */
settings = CvodeSettings_create();
/* Setting end time to .1, number of time steps to 1 and NULL
instead of an optional predefined time series (double *); due
to Indefinitely == 1, Printstep 5 will be ignored and Time =
0.1 will be used as timestep for infinite integration */
CvodeSettings_setTime(settings, .1, 5);
/* Setting Cvode Parameters: absolute tolerance, relative
tolerance and maximal internal step, respectively */
CvodeSettings_setErrors(settings, 1e-20, 1e-14, 500);
/* Setting Integration Switches */
CvodeSettings_setMethod(settings, 1, 12);
CvodeSettings_setJacobian(settings, 1);
CvodeSettings_setIndefinitely(settings, 1);
CvodeSettings_setHaltOnEvent(settings, 0);
CvodeSettings_setSteadyState(settings, 0);
CvodeSettings_setStoreResults(settings, 0);
CvodeSettings_setSensitivity(settings, 0);
/* first integration run */
printf("\nFIRST INTEGRATION RUN WITH:\n");
CvodeSettings_dump(settings);
integratorInstance = IntegratorInstance_create(model, settings);
RETURN_ON_ERRORS_WITH(1);
/* print variable (ODE, assignments) and constant names */
printf("#time ");
IntegratorInstance_dumpNames(integratorInstance);
/* print initial conditions and parameters */
IntegratorInstance_dumpData(integratorInstance);
for (i=0; i != 12; i++)
{
/* setting the next time step, uncomment the following
function call to see its effect */
/* IntegratorInstance_setNextTimeStep(integratorInstance, 0.2*(i+1)); */
IntegratorInstance_integrateOneStep(integratorInstance);
RETURN_ON_ERRORS_WITH(1);
/* print current data */
IntegratorInstance_dumpData(integratorInstance);
}
/* now, let's try again, with different settings */
set2 = CvodeSettings_create();
/* as Indefinitely will be set to 0, a finite integration
to time 0.24 in 6 steps will be run */
CvodeSettings_setTime(set2, 1.2, 6);
CvodeSettings_setErrors(set2, 1e-16, 1e-14, 500);
/* switches can be set all together, same order as above */
CvodeSettings_setSwitches(set2, 1, 0, 0, 0, 0, 0, 0);
printf("\nNOW, LET'S TRY AGAIN WITH DIFFERENT SETTINGS:\n");
CvodeSettings_dump(set2);
IntegratorInstance_set(integratorInstance, set2);
IntegratorInstance_dumpData(integratorInstance);
while( !IntegratorInstance_timeCourseCompleted(integratorInstance) ) {
IntegratorInstance_integrateOneStep(integratorInstance);
RETURN_ON_ERRORS_WITH(1);
IntegratorInstance_dumpData(integratorInstance);
}
printf("\n\nFINISHED SUCCESSFULLY!\n");
printf("Please, note the different values e.g. at time 1.2.\n");
printf("The values for the first run a more exact, due to the much\n");
printf("lower error tolerances. The error tolerances have to be\n");
printf("adapted to the ranges of each model!!\n\n");
IntegratorInstance_free(integratorInstance);
ODEModel_free(model);
VariableIndex_free(s1);
VariableIndex_free(s2);
CvodeSettings_free(settings);
CvodeSettings_free(set2);
return 0;
}
int
main (int argc, char *argv[])
{
int neq, nass, nconst;
char *x[3];
double x0[3];
char *ode[2];
ASTNode_t *ast[2];
double time, rtol, atol;
double printstep;
/* SBML model containing events */
Model_t *events;
/* SOSlib types */
odeModel_t *om;
cvodeSettings_t *set;
integratorInstance_t *ii;
variableIndex_t *vi;
/* parsing input ODEs and settings */
/* time and error settings */
time = 0.5;
rtol = atol = 1.0E-9;
printstep = 10;
/* variables */
neq = 2;
x[0] = "C_cy";
x0[0] = 0.0;
ode[0] = "((150.0 * (3.8 - (p * D_cy) - (p * C_cy)) * (1.0 - (p * C_cy))) - (9.0 * C_cy))";
x[1] = "D_cy";
x0[1] = 9.0;
ode[1] = "(3.8 - (3.0 * D_cy) - (p * D_cy) - (p * C_cy))";
/* parameters */
nconst = 1;
x[2] = "p";
x0[2] = 0.2;
/* assignments */
nass = 0;
/* SBML model containing events */
events = NULL;
/* creating ODE ASTs from strings */
ast[0] = SBML_parseFormula(ode[0]);
ast[1] = SBML_parseFormula(ode[1]);
/* end of input parsing */
/* Setting SBML ODE Solver integration parameters */
set = CvodeSettings_createWithTime(time, printstep);
CvodeSettings_setErrors(set, atol, rtol, 1e4);
CvodeSettings_setStoreResults(set, 0);
/* activating default sensitivity */
CvodeSettings_setSensitivity(set, 1);
/* creating odeModel */
/* `events' could be an SBML model containing events */
om = ODEModel_createFromODEs(ast, neq, nass, nconst, x, x0, events);
/* creating integrator */
ii = IntegratorInstance_create(om,set);
/* integrate */
printf("integrating:\n");
while( !IntegratorInstance_timeCourseCompleted(ii) )
{
if ( !IntegratorInstance_integrateOneStep(ii) )
{
SolverError_dump();
break;
}
else
IntegratorInstance_dumpData(ii);
}
/* Specific data interfaces: */
/* names are stored in the odeModel and values
are independently stored in the integrator: you can
get different values from different integrator instances
built from the same model */
vi = ODEModel_getVariableIndex(om, "C_cy");
printf("\nVariable %s has final value of %g at time %g\n\n",
ODEModel_getVariableName(om, vi),
IntegratorInstance_getVariableValue(ii, vi),
IntegratorInstance_getTime(ii));
VariableIndex_free(vi);
vi = ODEModel_getVariableIndex(om, "p");
printf("Sensitivies to %s:\n", ODEModel_getVariableName(om, vi));
IntegratorInstance_dumpPSensitivities(ii, vi);
printf("\n\n");
VariableIndex_free(vi);
/* finished, free stuff */
/* free ASTs */
ASTNode_free(ast[0]);
ASTNode_free(ast[1]);
/* free solver structures */
IntegratorInstance_free(ii);
ODEModel_free(om);
CvodeSettings_free(set);
return (EXIT_SUCCESS);
}
