libipaca README =============== libipaca is a C++ library for the calculation of isotope patterns given a stoichiometry. The implementation is work in progress. The current master branch features: * an implementation of Rockwood and Haimi's Mercury7 (sparse binary convolution) algorithm. * support for arbitrary, user-defined stoichiometry and spectrum types * a straightforward, easy-to-use interface: MyStoichiometry s; // do something with the stoichiometry // ... // now get the isotope pattern ipaca::Mercury7<MyStoichiometry, MySpectrum> mercury7; MySpectrum spectrum = mercury7(stoichiometry); // ...