| 534 | } |
| 535 | |
| 536 | void |
| 537 | InspectOutfile::getPrecursorRTandMZ( |
| 538 | const vector<pair<String, vector<pair<Size, Size> > > >& files_and_peptide_identification_with_scan_number, |
| 539 | vector<PeptideIdentification>& ids) |
| 540 | { |
| 541 | PeakMap experiment; |
| 542 | String type; |
| 543 | |
| 544 | for (vector<pair<String, vector<pair<Size, Size> > > >::const_iterator fs_i = files_and_peptide_identification_with_scan_number.begin(); fs_i != files_and_peptide_identification_with_scan_number.end(); ++fs_i) |
| 545 | { |
| 546 | getExperiment(experiment, type, fs_i->first); // may throw an exception if the filetype could not be determined |
| 547 | |
| 548 | if (experiment.size() < fs_i->second.back().second) |
| 549 | { |
| 550 | throw Exception::ParseError(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION, "Not enough scans in file! (" + String(experiment.size()) + " available, should be at least " + String(fs_i->second.back().second) + ")", fs_i->first); |
| 551 | } |
| 552 | |
| 553 | for (vector<pair<Size, Size> >::const_iterator pi_scan_i = fs_i->second.begin(); pi_scan_i != fs_i->second.end(); ++pi_scan_i) |
| 554 | { |
| 555 | ids[pi_scan_i->first].setMZ(experiment[pi_scan_i->second - 1].getPrecursors()[0].getMZ()); |
| 556 | ids[pi_scan_i->first].setRT(experiment[pi_scan_i->second - 1].getRT()); |
| 557 | } |
| 558 | } |
| 559 | } |
| 560 | |
| 561 | void |
| 562 | InspectOutfile::compressTrieDB( |
no test coverage detected