The libraries contained in the XpertMass package are two in number:

  • libXpertMass: this library provides a set of classes allowing the complete modeling of polymer chemistries, such as proteins, nucleic acids, or saccharides. Some examples of classes: Isotope, Formula, Monomer, Oligomer, Polymer, CleaveSpec, FragSpec.

  • libXpertMassGui: this library provides a set of classes allowing the creation of graphical interfaces for functionalities such as isotope management, configuration and implementation of isotopic calculations (simulation of isotopic clusters), and the configuration and implementation of calculations intended to give a mass peak profile to a centroid (Gaussian or Lorentzian shape).

For detailed developer documentation head here.

The libXpertMass library has been tested with unit tests for a long time. That said, this work had been put on hold. It has recently resumed with renewed vigor. For a description of the code coverage with unit tests, visit this link.