Antonio S. Torralba
Universidad Complutense  

Chemistry

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Biophysics

 

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Response - Public methods

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System - PUBLIC METHODS


System is an abstract class. Therefore, it cannot be instantiated. Users must derive a class from this one, providing at least the protected method EvaluateSystem. A list of the protected data members that can be exploited for developing a user-defined class is available.


System();

Default construction is not allowed and terminates the program.


System

(double step, int species, int rates, int input_species,

int output_rate);

Allocates memory for the concentrations, their time derivatives, the rates, the input fluxes (in principle, as many as concentrations) and the steady state concentrations. The integration step must be shorter than the time increment used in Susceptibility, Signal and Response. Otherwise, the first time the Functional is used the program terminates. The details of the system must be provided by the user in a class derived from this one.

Parameters

step

Time increment used for integration

species

Number of species or concentrations

rates

Number of velocities, including output fluxes

input_species

Number of the species that receives the input flux

output_rate

Number of the rate to be considered the response of the system


virtual ~System();

Unallocates the memory of all the concentrations, rates, fluxes, et cetera. The user-defined system need not worry about this.


void Functional (const DER &derivative_data);

Integrates the differential equations provided in a user-defined system. The time increment dt must be equal or longer than the increment used for integration. The functional is evaluated for pert instantaneous variations of the concentration at perttimes times. The values of the variations are given by x, which is the point where an evaluation is needed for calculating an approximate derivative. The result is returned in the vector integ. This method uses EvaluateSystem and IntegrateOneStep. A simple Euler algorithm is provided for the latter, but the former is expected to be completely defined by the user.

Parameters

derivative_data

A structure of type DER. Its members are:

int tau

Number of discrete-time points

int pert

Number of perturbations

int *perttimes

Vector of perturbation times

double dt

Time increment (func. derivatives)

double *x

Perturbation magnitudes

double *integ

Integration result to be returned



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Monday, 04-Mar-2013 11:58:25 CET

© 2013 Antonio Sánchez Torralba