// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin // SPDX-License-Identifier: BSD-3-Clause // #include #include #include #include #include // exotic header for path to tutorial data #include using namespace OpenMS; using namespace std; int main(int argc, const char** argv) { auto file_mzXML = OPENMS_DOC_PATH + String("/code_examples/data/Tutorial_FileIO.mzXML"); // temporary data storage PeakMap map; // convert MzXML to MzML. Internally we use FileHandler to do the actual work. // Here we limit the input type to be MzXML only FileHandler().loadExperiment(file_mzXML, map, {FileTypes::MZXML}); FileHandler().storeExperiment("Tutorial_FileIO.mzML", map, {FileTypes::MZML}); // The FileHandler object can also hold options for how to load the file FileHandler f; PeakFileOptions opts; // Here we set the MZ range to load to 100-200 opts.setMZRange({100, 200}); f.setOptions(opts); f.loadExperiment(file_mzXML, map, {FileTypes::MZXML}); // we can also load an experiment from a file without any restrictions on the file type: FileHandler().loadExperiment(File::path(file_mzXML) + "/Tutorial_Spectrum1D.dta", map); // if we want to allow all types that can store MS2 data we can do the following: FileHandler().loadExperiment(file_mzXML, map, FileTypeList::typesWithProperties({FileTypes::FileProperties::PROVIDES_EXPERIMENT})); // The curly braces can contain multiple file properties. The FileTypeList that is created is the intersection of these properties // so: FileTypeList::typesWithProperties({FileTypes::FileProperties::PROVIDES_EXPERIMENT, FileTypes::FileProperties::READABLE}) // returns only fileTypes which can store both MS1 and MS2 spectra // We use various FileHandler functions to load other types. FeatureMap feat; FileHandler().loadFeatures(File::path(file_mzXML) + "/Tutorial_Labeled.featureXML", feat); // If we try to load something from a file that can't store that info (for example trying to get an experiment from an idXML file) // An error gets thrown at run time. Check out @p FileHandler class for more info } // end of main