Entry: RcppVersion
Aliases: RcppVersion
Keywords: models
Description: Rcpp Version and License Information
URL: ../../../library/Rdisop/html/RcppVersion.html

Entry: addMolecules
Aliases: addMolecules subMolecules
Keywords: methods
Description: Add/subtract sum formulae
URL: ../../../library/Rdisop/html/addMolecules.html

Entry: decomposeIsotopes
Aliases: decomposeMass decomposeIsotopes isotopeScore
Keywords: methods
Description: Mass Decomposition of Isotope Patterns
URL: ../../../library/Rdisop/html/decomposeMass.html

Entry: getMolecule
Aliases: getMolecule getMass getFormula getIsotope getScore getValid
Keywords: methods
Description: Calculate mass and isotope information for a molecule given as sum formula
URL: ../../../library/Rdisop/html/getMolecule.html

Entry: initializeCHNOPS
Aliases: initializeElements initializeCHNOPS initializeCHNOPSMgKCaFe initializeCHNOPSNaK initializeCharges initializePSE
Keywords: methods
Description: Initialize (a subset of) elements of the periodic system of elements (PSE)
URL: ../../../library/Rdisop/html/initializeCHNOPS.html
