#include <Rcpp.h> #include "RcppPwiz.h" RCPP_MODULE(Pwiz) { using namespace Rcpp; class_<RcppPwiz>( "Pwiz" ) .constructor("Initialises a new Rccp pwiz object.") .method( "open", &RcppPwiz::open, "Opens a mass spec file (mzXML, mzData, etc.) and creates a pwiz object" ) .method( "close", &RcppPwiz::close, "Close the connection to a mass spec file (mzXML, mzData, etc.)." ) // .method( "writeMSfile", &RcppPwiz::writeMSfile, "Write a pwiz object into files (mzXML, mzData, etc.)" ) .method( "writeSpectrumList", &RcppPwiz::writeSpectrumList, "Write the spectrum list to an mzML file." ) .method( "copyWriteMSfile", &RcppPwiz::copyWriteMSfile, "Copy general content from the originalting MS file, add the provided spectrum list and write the data to a new mzML file." ) .method( "getFilename", &RcppPwiz::getFilename, "Returns the mass spec filename.") .method( "getRunStartTimeStamp", &RcppPwiz::getRunStartTimeStamp, "Returns the start time stamp of the MS run.") .method( "getInstrumentInfo", &RcppPwiz::getInstrumentInfo, "Reads the instrument information from a pwiz object" ) .method( "getScanHeaderInfo", &RcppPwiz::getScanHeaderInfo, "Reads the header info for the specified scan(s). Supports also to extract scan header infos for multiple scans." ) .method( "getChromatogramsInfo", &RcppPwiz::getChromatogramsInfo, "Reads the chromatogram information.") .method( "getPeakList", &RcppPwiz::getPeakList, "Performs a non-sequential parsing operation on an indexed mzXML file to obtain the peak list for a numbered scan." ) .method( "getAllScanHeaderInfo", &RcppPwiz::getAllScanHeaderInfo, "Reads the header info for all mass spectra." ) .method( "get3DMap", &RcppPwiz::get3DMap, "Reads all scans and returns them as a matrix." ) .method( "getLastScan", &RcppPwiz::getLastScan, "Returns the last scan (not necessarily the number of scans because of missing scans)." ) .method( "getLastChrom", &RcppPwiz::getLastChrom, "Returns the index of the last chromatogram." ) .method("getChromatogramHeaderInfo", &RcppPwiz::getChromatogramHeaderInfo, "Returns a data.frame with the chromatogram header information") .method("getAllChromatogramHeaderInfo", &RcppPwiz::getAllChromatogramHeaderInfo, "Returns a data.frame with the header for all chromatograms") ; }