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CRNN creates C code for a chemical reaction neural network

CRNN.Rd

This function creates a very general ODE (c source code), that can be compiled and simulated using the UQSA package.

Usage

CRNN(numReactions, initialValues, funcValues)

Arguments

numReactions

the number of reversible mass action law reactions

initialValues

named vector of initial values, names will be used as the neames of the reacting compounds.

funcValues

named character vector, can be any valid C expression (one line) of the available state variables (the names can be used literally).

Value

a character vector suitable for writing to a file (.c)

Details

Example: A + B <=> C numReactions: n <- 1 initialValues: x <- c(A=2,B=3,C=0) funcValues: f <- c("A+B","log(A)")

The above definition would create a CRNN inspired ODE, where A+B and log(A) are treated as observable (measureable) values (functions of the state variables).

Note: In addition to the state variables, the function values can also reference the log-parameters of the model as l[i], where i is a 0-based offset to the reaction i; the backward rate, is stored at position l[i+numRct].