| 2313 | } |
| 2314 | |
| 2315 | PeakSpectrum extractPeakSpectrum(Size element_count, double mass_diff, double rt, double feature_hit_theoretical_mz, Int feature_hit_charge, const PeakMap& peak_map) |
| 2316 | { |
| 2317 | PeakSpectrum spec = *peak_map.RTBegin(rt - 1e-8); |
| 2318 | PeakSpectrum::ConstIterator begin_it = spec.MZBegin(feature_hit_theoretical_mz - 1e-8); |
| 2319 | PeakSpectrum::ConstIterator end_it = spec.MZEnd(feature_hit_theoretical_mz + element_count * mass_diff / feature_hit_charge + 1e-8); |
| 2320 | |
| 2321 | PeakSpectrum ret; |
| 2322 | for (; begin_it != end_it; ++begin_it) |
| 2323 | { |
| 2324 | if (begin_it->getIntensity() > 1e-8) |
| 2325 | { |
| 2326 | ret.push_back(*begin_it); |
| 2327 | } |
| 2328 | } |
| 2329 | return ret; |
| 2330 | } |
| 2331 | |
| 2332 | // collects intensities starting at seed_mz/_rt, if no peak is found at the expected position a 0 is added |
| 2333 | vector<double> extractIsotopicIntensities(Size element_count, double mass_diff, double mz_tolerance_ppm, |
nothing calls this directly
no test coverage detected