bool
MappedSpectrum::transform( adcontrols::MassSpectrum& ms ) const
{
auto& prop = ms.getMSProperty();
int32_t nDelay = int32_t( ( delay_ / sampInterval_ ) + 0.5 );
auto si = SamplingInfo( sampInterval_, delay_, nDelay, nSamples_, num_average_, 0 /* mode */ );
si.fSampInterval( sampInterval_ );
prop.setSamplingInfo( si );
prop.setNumAverage( num_average_ );
prop.setTrigNumber( trig_number_, trig_number_origin_ );
prop.setTimeSinceEpoch( timeSinceEpoch_.second );
ms.resize( data_.size() );
ms.setCentroid( adcontrols::CentroidNative );
//auto scanlaw = prop.scanLaw();
for ( size_t idx = 0; idx < data_.size(); ++idx ) {
double tof = this->time( idx );
ms.setTime( idx, tof );
//if ( scanlaw )
// ms.setMass( idx, ms.compute_mass( data_[ idx ].first ) );
ms.setIntensity( idx, data_[ idx ].second );
}
return true;
}
//virtual
bool
datafile::getSpectrum( int fcn, size_t pos, adcontrols::MassSpectrum& ms, uint32_t objId ) const
{
(void)fcn;
try {
EDAL::IMSSpectrumCollectionPtr pSpectra = pAnalysis_->GetMSSpectrumCollection();
EDAL::IMSSpectrumPtr pSpectrum = pSpectra->GetItem( long(pos) + 1 ); // 1-origin
if ( pSpectrum->Polarity == EDAL::SpectrumPolarity::IonPolarity_Negative )
ms.setPolarity( adcontrols::MS_POLARITY::PolarityNegative );
else if ( pSpectrum->Polarity == EDAL::SpectrumPolarity::IonPolarity_Positive )
ms.setPolarity( adcontrols::MS_POLARITY::PolarityPositive );
else
ms.setPolarity( adcontrols::MS_POLARITY::PolarityIndeterminate );
adcontrols::MSProperty prop = ms.getMSProperty();
prop.setTimeSinceInjection( static_cast< unsigned long >( pSpectrum->RetentionTime /* sec */ * 1.0e6 ) ); // usec
ms.setMSProperty( prop ); // <- end of prop set
_variant_t vMasses, vIntens;
if ( objId <= 1 ) {
pSpectrum->GetMassIntensityValues( EDAL::SpectrumType_Profile, &vMasses, &vIntens );
ms.setCentroid( adcontrols::CentroidNone ); // profile
} else { // objId should be 2
pSpectrum->GetMassIntensityValues( EDAL::SpectrumType_Line, &vMasses, &vIntens );
ms.setCentroid( adcontrols::CentroidNative );
}
SafeArray sa_masses( vMasses );
ms.resize( sa_masses.size() );
ms.setMassArray( reinterpret_cast< const double *>( sa_masses.p() ) );
SafeArray sa_intensities( vIntens );
ms.setIntensityArray( reinterpret_cast< const double *>( sa_intensities.p() ) );
ms.setAcquisitionMassRange( ms.getMass( 0 ), ms.getMass( ms.size() - 1 ) );
return true;
} catch(_com_error& ex ) {
ADERROR() << std::wstring( ex.ErrorMessage() );
return false;
}
return false;
}
bool
TimeDigitalHistogram::translate( adcontrols::MassSpectrum& sp
, const TimeDigitalHistogram& hgrm )
{
sp.setCentroid( adcontrols::CentroidNative );
using namespace adcontrols::metric;
// ext_trig_delay should be managed before came here. (ex. histogram::move())
double ext_trig_delay = hgrm.this_protocol_.delay_pulses().at( adcontrols::TofProtocol::EXT_ADC_TRIG ).first;
adcontrols::MSProperty prop;
adcontrols::SamplingInfo info( hgrm.xIncrement()
, hgrm.initialXOffset() + ext_trig_delay
, int32_t( ( hgrm.initialXOffset() + ext_trig_delay ) / hgrm.xIncrement() ) // delay
, uint32_t( hgrm.actualPoints() ) // this is for acq. time range calculation
, uint32_t( hgrm.trigger_count() )
, hgrm.this_protocol_.mode() /* mode */);
prop.setAcceleratorVoltage( 0 ); // empty
prop.setSamplingInfo( info );
prop.setTimeSinceInjection( hgrm.initialXTimeSeconds() );
prop.setTimeSinceEpoch( hgrm.timeSinceEpoch().first );
prop.setNumAverage( uint32_t( hgrm.trigger_count() ) );
prop.setTrigNumber( uint32_t( hgrm.serialnumber().first ) );
prop.setDataInterpreterClsid( "adcontrols::TimeDigitalHistogram" );
TimeDigitalHistogram::device_data data( hgrm.this_protocol_ );
std::string ar;
adportable::binary::serialize<>()( data, ar );
prop.setDeviceData( ar.data(), ar.size() );
sp.setMSProperty( prop );
size_t size = hgrm.size();
sp.resize( size );
size_t idx = 0;
for ( auto it = hgrm.begin(); it != hgrm.end(); ++it, ++idx ) {
sp.setTime( idx, it->first );
sp.setIntensity( idx, it->second );
}
return true;
}
