| .getElement | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| addMolecules | Add/subtract sum formulas |
| decomposeIsotopes | Mass Decomposition of Isotope Patterns |
| decomposeMass | Mass Decomposition of Isotope Patterns |
| getFormula | Calculate mass and isotope information for a molecule given as sum formula |
| getIsotope | Calculate mass and isotope information for a molecule given as sum formula |
| getMass | Calculate mass and isotope information for a molecule given as sum formula |
| getMolecule | Calculate mass and isotope information for a molecule given as sum formula |
| getMonoisotopic | Calculate mass and isotope information for a molecule given as sum formula |
| getScore | Calculate mass and isotope information for a molecule given as sum formula |
| getValid | Calculate mass and isotope information for a molecule given as sum formula |
| initializeCharges | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| initializeCHNOPS | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| initializeCHNOPSMgKCaFe | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| initializeCHNOPSNaK | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| initializeElements | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| initializePSE | Initialize (a subset of) elements of the periodic system of elements (PSE) |
| isotopes | isotope information. |
| isotopeScore | Mass Decomposition of Isotope Patterns |
| mono_masses | Monoisotopic mass information.. |
| subMolecules | Add/subtract sum formulas |