![[R logo]](../../../doc/html/logo.jpg){kind=logo}
![[Up]](../../../doc/html/left.jpg){kind=small}
![[Top]](../../../doc/html/up.jpg){kind=small}
| addMolecules | Add/subtract sum formulae |
| decomposeIsotopes | Mass Decomposition of Isotope Patterns |
| decomposeMass | Mass Decomposition of Isotope Patterns |
| getFormula | Calculate mass and isotope information for a molecule given as sum |
| getIsotope | Calculate mass and isotope information for a molecule given as sum |
| getMass | Calculate mass and isotope information for a molecule given as sum |
| getMolecule | Calculate mass and isotope information for a molecule given as sum |
| getScore | Calculate mass and isotope information for a molecule given as sum |
| getValid | Calculate mass and isotope information for a molecule given as sum |
| initializeCharges | Initialize (a subset of) elements of the periodic system of elements |
| initializeCHNOPS | Initialize (a subset of) elements of the periodic system of elements |
| initializeCHNOPSMgKCaFe | Initialize (a subset of) elements of the periodic system of elements |
| initializeCHNOPSNaK | Initialize (a subset of) elements of the periodic system of elements |
| initializeElements | Initialize (a subset of) elements of the periodic system of elements |
| initializePSE | Initialize (a subset of) elements of the periodic system of elements |
| isotopeScore | Mass Decomposition of Isotope Patterns |
| RcppVersion | Rcpp Version and License Information |
| subMolecules | Add/subtract sum formulae |