pappso::cbor::mzcbor::IsolationWindow Struct Reference

#include <precursor.h>

Public Member Functions
void	fromCbor (CborStreamReader &reader)
void	fromQCborMap (const QCborMap &reader)
QJsonObject	toJsonObject () const
	write the structure to a JSON object
double	getTargetMz () const
	get isolation window target m/z given cvParam informations
double	getLowerMz () const
	compute isolation window lower m/z given cvParam informations
double	getUpperMz () const
	compute isolation window upper m/z given cvParam informations

Public Attributes
CvParamMap	cvParamMap

Detailed Description

Definition at line 42 of file precursor.h.

Member Function Documentation

fromCbor()

void pappso::cbor::mzcbor::IsolationWindow::fromCbor

(

CborStreamReader &

reader

)

Definition at line 50 of file precursor.cpp.

{
  QString txt_value;
  reader.enterContainer();
  qDebug() << txt_value;
  while(reader.hasNext() && (!reader.isInvalid()))
    {
      if(reader.isString())
        {
          if(reader.decodeString(txt_value))
            {
              qDebug() << txt_value;
              if(txt_value == "cvParam")
                {
                  cvParamMap.fromCbor(reader);
                  // reader.next();
                }
              else
                {
                  reader.next();
                }
            }
          else
            {
              reader.next();
            }
        }
      else
        {
          reader.next();
        }
    }
  reader.leaveContainer();
}

References cvParamMap, and pappso::cbor::CborStreamReader::decodeString().

fromQCborMap()

void pappso::cbor::mzcbor::IsolationWindow::fromQCborMap

(

const QCborMap &

reader

)

Definition at line 35 of file precursor.cpp.

{
  QString txt_value;
  for(auto it_binarr = cbor_map.cbegin(); it_binarr != cbor_map.cend(); it_binarr++)
    {
      txt_value = it_binarr.key().toString();
      qDebug() << txt_value;
      if(txt_value == "cvParam")
        {
          cvParamMap.fromQCborArray(it_binarr.value().toArray());
          // reader.next();
        }
    }
}

References cvParamMap.

Referenced by pappso::cbor::mzcbor::QcborSpectrumPrecursor::getIsolationWindow().

getLowerMz()

double pappso::cbor::mzcbor::IsolationWindow::getLowerMz

(

)

const

compute isolation window lower m/z given cvParam informations

Definition at line 104 of file precursor.cpp.

{
  double mz = getTargetMz();
 
  auto it = cvParamMap.find("MS:1000828");
 
  if(it == cvParamMap.end())
    {
      throw pappso::ExceptionNotFound(
        QObject::tr("isolation window lower offset MS:1000828 not found in cvParam map"));
    }
 
  if(std::isnan(it->second.valueDouble))
    {
      return mz - (double)it->second.valueInt;
    }
  return mz - it->second.valueDouble;
}

References cvParamMap, and getTargetMz().

Referenced by FilterMs1WindowSelection::FilterMs1WindowSelection().

getTargetMz()

double pappso::cbor::mzcbor::IsolationWindow::getTargetMz

(

)

const

get isolation window target m/z given cvParam informations

Definition at line 86 of file precursor.cpp.

{
  auto it = cvParamMap.find("MS:1000827");
 
  if(it == cvParamMap.end())
    {
      throw pappso::ExceptionNotFound(
        QObject::tr("isolation window target m/z MS:1000827 not found in cvParam map"));
    }
 
  if(std::isnan(it->second.valueDouble))
    {
      return (double)it->second.valueInt;
    }
  return it->second.valueDouble;
}

References cvParamMap.

Referenced by FilterMs1WindowSelection::FilterMs1WindowSelection(), getLowerMz(), and getUpperMz().

getUpperMz()

double pappso::cbor::mzcbor::IsolationWindow::getUpperMz

(

)

const

compute isolation window upper m/z given cvParam informations

Definition at line 141 of file precursor.cpp.

{
 
  double mz = getTargetMz();
 
  auto it = cvParamMap.find("MS:1000829");
 
  if(it == cvParamMap.end())
    {
      throw pappso::ExceptionNotFound(
        QObject::tr("isolation window upper offset MS:1000829 not found in cvParam map"));
    }
 
  if(std::isnan(it->second.valueDouble))
    {
      return mz + (double)it->second.valueInt;
    }
  return mz + it->second.valueDouble;
}

References cvParamMap, and getTargetMz().

Referenced by FilterMs1WindowSelection::FilterMs1WindowSelection().

toJsonObject()

QJsonObject pappso::cbor::mzcbor::IsolationWindow::toJsonObject

(

)

const

write the structure to a JSON object

Returns

QJsonObject

Definition at line 124 of file precursor.cpp.

{
  QJsonObject isolationWindow;
  isolationWindow.insert("cvParam", cvParamMap.toJsonArray());
  return isolationWindow;
}

References cvParamMap.

Member Data Documentation

cvParamMap

CvParamMap pappso::cbor::mzcbor::IsolationWindow::cvParamMap

Definition at line 68 of file precursor.h.

Referenced by fromCbor(), fromQCborMap(), getLowerMz(), getTargetMz(), getUpperMz(), and toJsonObject().

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The documentation for this struct was generated from the following files:

• pappsomspp/core/processing/cbor/mzcbor/precursor.h
• pappsomspp/core/processing/cbor/mzcbor/precursor.cpp