Skip to content
Snippets Groups Projects
Commit e898506e authored by Renne Thomas's avatar Renne Thomas
Browse files

merge getMsRunReader TDF and other

parent 7e3a68cc
No related branches found
No related tags found
1 merge request!26Allow to use TDF raw data to load MGF spectrum
...@@ -69,71 +69,7 @@ MsRun::getMsRunReaderSPtr() ...@@ -69,71 +69,7 @@ MsRun::getMsRunReaderSPtr()
// qDebug() << " filename=" << getFileName(); // qDebug() << " filename=" << getFileName();
if(_msrun_reader_sp == nullptr) if(_msrun_reader_sp == nullptr)
{ {
qDebug() << " runid=" << getRunId() << " xmlid=" << getXmlId(); setMsRunReaderSp(getFileName());
pappso::MsFileAccessor *p_accessor = nullptr;
try
{
// pappso::MsFileAccessor accessor(getFileName(), "");
p_accessor = new pappso::MsFileAccessor(getFileName(), "runa1");
p_accessor->setPreferedFileReaderType(
pappso::MzFormat::brukerTims, pappso::FileReaderType::tims_ms2);
}
catch(pappso::ExceptionNotFound &error)
{
qDebug() << "not found";
_msrun_reader_sp = nullptr;
/// p_accessor = nullptr;
// throw error;
// file not found, don't throw exception, we'll try another location
}
if(p_accessor != nullptr)
{
try
{
_msrun_reader_sp =
p_accessor->getMsRunReaderSPtrByRunId(getRunId(), getXmlId());
delete p_accessor;
p_accessor = nullptr;
//qDebug() << m_centroidOptions;
if(!m_centroidOptions.isEmpty())
{
pappso::TimsMsRunReaderMs2 *tims2_reader =
dynamic_cast<pappso::TimsMsRunReaderMs2 *>(
_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());
tims2_reader->setMs2FilterCstSPtr(ms2filter);
qDebug() << m_centroidOptions;
}
}
}
catch(pappso::PappsoException &error2)
{
_msrun_reader_sp = nullptr;
if(p_accessor != nullptr)
{
delete p_accessor;
p_accessor = nullptr;
}
throw error2;
}
}
}
else
{
// qDebug();
} }
return _msrun_reader_sp; return _msrun_reader_sp;
...@@ -144,73 +80,80 @@ MsRun::getMsRunReaderSPtrMgfToTdf(QString tdf_file) ...@@ -144,73 +80,80 @@ MsRun::getMsRunReaderSPtrMgfToTdf(QString tdf_file)
{ {
qDebug() << " filename=" << getFileName(); qDebug() << " filename=" << getFileName();
qDebug() << "filenameTDF = " << tdf_file; qDebug() << "filenameTDF = " << tdf_file;
if(_msrun_reader_sp == nullptr) if(_msrun_reader_sp == nullptr)
{ {
qDebug() << " runid=" << getRunId() << " xmlid=" << getXmlId(); setMsRunReaderSp(tdf_file);
pappso::MsFileAccessor *p_accessor = nullptr; }
try return _msrun_reader_sp;
{ }
p_accessor = new pappso::MsFileAccessor(tdf_file, "runa1"); void
MsRun::setMsRunReaderSp(QString ms_run_file)
{
qDebug() << " runid=" << getRunId() << " xmlid=" << getXmlId();
pappso::MsFileAccessor *p_accessor = nullptr;
p_accessor->setPreferedFileReaderType( try
pappso::MzFormat::brukerTims, pappso::FileReaderType::tims_ms2); {
}
catch(pappso::ExceptionNotFound &error) p_accessor = new pappso::MsFileAccessor(ms_run_file, "runa1");
{
qDebug() << "not found"; p_accessor->setPreferedFileReaderType(pappso::MzFormat::brukerTims,
_msrun_reader_sp = nullptr; pappso::FileReaderType::tims_ms2);
/// p_accessor = nullptr; }
// throw error; catch(pappso::ExceptionNotFound &error)
// file not found, don't throw exception, we'll try another location {
} qDebug() << "not found";
if(p_accessor != nullptr) _msrun_reader_sp = nullptr;
/// p_accessor = nullptr;
// throw error;
// file not found, don't throw exception, we'll try another location
}
if(p_accessor != nullptr)
{
try
{ {
try _msrun_reader_sp =
{ p_accessor->getMsRunReaderSPtrByRunId(getRunId(), getXmlId());
_msrun_reader_sp = delete p_accessor;
p_accessor->getMsRunReaderSPtrByRunId(getRunId(), getXmlId()); p_accessor = nullptr;
delete p_accessor;
p_accessor = nullptr;
qDebug() << m_centroidOptions; qDebug() << m_centroidOptions;
if(!m_centroidOptions.isEmpty()) if(!m_centroidOptions.isEmpty())
{
pappso::TimsMsRunReaderMs2 *tims2_reader =
dynamic_cast<pappso::TimsMsRunReaderMs2 *>(
_msrun_reader_sp.get());
if(tims2_reader != nullptr)
{ {
pappso::TimsMsRunReaderMs2 *tims2_reader = qDebug() << m_centroidOptions;
dynamic_cast<pappso::TimsMsRunReaderMs2 *>( QStringList option_list = m_centroidOptions.split(" ");
_msrun_reader_sp.get()); std::shared_ptr<pappso::FilterPseudoCentroid> ms2filter =
if(tims2_reader != nullptr) std::make_shared<pappso::FilterPseudoCentroid>(
{ option_list.at(0).toDouble(),
qDebug() << m_centroidOptions; option_list.at(1).toDouble(),
QStringList option_list = m_centroidOptions.split(" "); option_list.at(2).toDouble(),
std::shared_ptr<pappso::FilterPseudoCentroid> ms2filter = option_list.at(3).toDouble());
std::make_shared<pappso::FilterPseudoCentroid>(
option_list.at(0).toDouble(), tims2_reader->setMs2FilterCstSPtr(ms2filter);
option_list.at(1).toDouble(), qDebug() << m_centroidOptions;
option_list.at(2).toDouble(),
option_list.at(3).toDouble());
tims2_reader->setMs2FilterCstSPtr(ms2filter);
qDebug() << m_centroidOptions;
}
} }
} }
}
catch(pappso::PappsoException &error2) catch(pappso::PappsoException &error2)
{
_msrun_reader_sp = nullptr;
if(p_accessor != nullptr)
{ {
_msrun_reader_sp = nullptr; delete p_accessor;
if(p_accessor != nullptr) p_accessor = nullptr;
{
delete p_accessor;
p_accessor = nullptr;
}
throw error2;
} }
throw error2;
} }
} }
return _msrun_reader_sp;
} }
......
...@@ -79,6 +79,7 @@ class MsRun : public pappso::MsRunId ...@@ -79,6 +79,7 @@ class MsRun : public pappso::MsRunId
pappso::MsRunReaderSPtr &getMsRunReaderSPtr(); pappso::MsRunReaderSPtr &getMsRunReaderSPtr();
pappso::MsRunReaderSPtr &getMsRunReaderSPtrMgfToTdf(QString tdf_file); pappso::MsRunReaderSPtr &getMsRunReaderSPtrMgfToTdf(QString tdf_file);
void setMsRunReaderSp(QString ms_run_file);
/** @brief release shared pointer on MSrun reader /** @brief release shared pointer on MSrun reader
*/ */
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment