stoichcalc: R Functions for Solving Stoichiometric Equations

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Given a list of substance compositions, a list of substances involved in a process, and a list of constraints in addition to mass conservation of elementary constituents, the package contains functions to build the substance composition matrix, to analyze the uniqueness of process stoichiometry, and to calculate stoichiometric coefficients if process stoichiometry is unique. (See Reichert, P. and Schuwirth, N., A generic framework for deriving process stoichiometry in enviromental models, Environmental Modelling and Software 25, 1241-1251, 2010 for more details.)

Author
Peter Reichert
Date of publication
2013-02-06 08:22:10
Maintainer
Peter Reichert <peter.reichert@eawag.ch>
License
GPL (>= 2)
Version
1.1-3

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Man pages

calc.comp.matrix
Construct Composition Matrix
calc.stoich.basis
Calculate Basis of Stoichiometric Space
calc.stoich.coef
Calculate Stoichiometric Coefficients
stoichcalc
R-Functions for Solving Stoichiometric Equations

Files in this package

stoichcalc
stoichcalc/MD5
stoichcalc/R
stoichcalc/R/stoichcalc.R
stoichcalc/NAMESPACE
stoichcalc/man
stoichcalc/man/stoichcalc.Rd
stoichcalc/man/calc.stoich.coef.Rd
stoichcalc/man/calc.stoich.basis.Rd
stoichcalc/man/calc.comp.matrix.Rd
stoichcalc/inst
stoichcalc/inst/CITATION
stoichcalc/DESCRIPTION
stoichcalc/demo
stoichcalc/demo/stoichcalc_example2.R
stoichcalc/demo/stoichcalc_example1.R
stoichcalc/demo/stoichcalc_appendix.R
stoichcalc/demo/00Index