diff --git a/src/core/msrun.cpp b/src/core/msrun.cpp index dc62b7ecd105aa39151a00fa9a5b1b4f1ad9c084..b71a5fa41f61d2dfe896ab825070238e0c7ca480 100644 --- a/src/core/msrun.cpp +++ b/src/core/msrun.cpp @@ -42,6 +42,9 @@ #include <pappsomspp/exception/exceptionnotimplemented.h> #include <pappsomspp/msrun/private/timsmsrunreaderms2.h> #include <pappsomspp/processing/filters/filterpseudocentroid.h> +#include <pappsomspp/processing/filters/filtertdfcorrectpeak.h> +#include <pappsomspp/processing/filters/filtertriangle.h> +#include <pappsomspp/precision.h> #include "peptideevidence.h" #include "alignmentgroup.h" @@ -128,14 +131,14 @@ MsRun::setMsRunReaderSp(QString ms_run_file) _msrun_reader_sp.get()); if(tims2_reader != nullptr) { - qDebug() << m_centroidOptions; QStringList option_list = m_centroidOptions.split(" "); - std::shared_ptr<pappso::FilterPseudoCentroid> ms2filter = - std::make_shared<pappso::FilterPseudoCentroid>( - option_list.at(0).toDouble(), - option_list.at(1).toDouble(), - option_list.at(2).toDouble(), - option_list.at(3).toDouble()); + + std::shared_ptr<pappso::FilterSuite> ms2filter = + std::make_shared<pappso::FilterSuite>(); + + ms2filter.get()->push_back( + std::make_shared<pappso::FilterCorrectTdfPeaks>( + pappso::PrecisionFactory::getDaltonInstance(0.02))); tims2_reader->setMs2FilterCstSPtr(ms2filter); qDebug() << m_centroidOptions; diff --git a/src/core/tandem_run/tandembatchprocess.cpp b/src/core/tandem_run/tandembatchprocess.cpp index 3275507d16bbd88ad0d1faceb67c08942b79cbf4..e6fbbc445eb36ab130b7c88188dbb01c7058d315 100644 --- a/src/core/tandem_run/tandembatchprocess.cpp +++ b/src/core/tandem_run/tandembatchprocess.cpp @@ -34,6 +34,7 @@ #include <QTemporaryDir> #include "../../files/tandemparametersfile.h" #include <pappsomspp/processing/tandemwrapper/tandemwrapperrun.h> +#include <pappsomspp/processing/filters/filtertdfcorrectpeak.h> TandemBatchProcess::TandemBatchProcess(MainWindow *p_main_window, WorkMonitorInterface *p_monitor, @@ -409,10 +410,16 @@ TandemBatchProcess::runOne(const QString &mz_file) } pappso::TandemWrapperRun tandem_run( - _tandem_run_batch._tandem_bin_path, - tmpDirOption, - m_centroid_timstof_option); + _tandem_run_batch._tandem_bin_path, tmpDirOption); + std::shared_ptr<pappso::FilterSuite> ms2_filter_suite = + std::make_shared<pappso::FilterSuite>(); + + ms2_filter_suite.get()->push_back( + std::make_shared<pappso::FilterCorrectTdfPeaks>( + pappso::PrecisionFactory::getDaltonInstance(0.01))); + + tandem_run.setMs2FilterSuite(ms2_filter_suite); tandem_run.run(xml_input_file.fileName(), outputStream, errorStream);