Example #1
0
void Cyclize(Spectrum &in, Spectrum &out, float ionOffset, float mergeTol, float resolution) {
	out.copyNP(in);
	SpecSet variants(in.size());
	unsigned int pivot;
	for(pivot=0; pivot<in.size(); pivot++) {
		variants[pivot]=in;
		variants[pivot].rotate(ionOffset-in[pivot][0],ionOffset);  // Assumes no cterm H2O
	}
	MergeSpecs(variants,mergeTol,resolution,0,out);
}