/// <summary>
/// If the object has already been loaded, it returns the typed, parsed object. If the object has not yet been loaded, it returns a base AssetsObject with unparsed data so that it's faster to write and doesn't pull in all the pointer refs
/// </summary>
public AssetsObject GetObjectForWrite()
{
if (_object != null)
{
return(_object);
}
lock (ParentFile)
{
using (var reader = ParentFile.GetReaderAtDataOffset())
{
return(new AssetsObject(this, reader));
}
}
}
public DissociationType GetDissociationType()
{
if (_dissociationType == DissociationType.UnKnown)
{
if (ParentFile.IsOpen)
{
_dissociationType = ParentFile.GetDissociationType(SpectrumNumber);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
}
return(_dissociationType);
}
public virtual int GetPrecursorCharge()
{
if (_precursorCharge == 0)
{
if (ParentFile.IsOpen)
{
_precursorCharge = ParentFile.GetPrecusorCharge(SpectrumNumber, MsnOrder);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
}
return(_precursorCharge);
}
public DoubleRange GetIsolationRange()
{
if (_isolationRange == null)
{
if (ParentFile.IsOpen)
{
_isolationRange = ParentFile.GetIsolationRange(SpectrumNumber);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
}
return(_isolationRange);
}
public double GetPrecursorMz()
{
if (double.IsNaN(_precursorMz))
{
if (ParentFile.IsOpen)
{
_precursorMz = ParentFile.GetPrecursorMz(SpectrumNumber, MsnOrder);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
}
return(_precursorMz);
}
public virtual double GetInjectionTime()
{
if (_injectionTime >= 0)
{
return(_injectionTime);
}
if (ParentFile.IsOpen)
{
_injectionTime = ParentFile.GetInjectionTime(SpectrumNumber);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
return(_injectionTime);
}
public virtual int GetParentSpectrumNumber()
{
if (_parentScanNumber >= 0)
{
return(_parentScanNumber);
}
if (ParentFile.IsOpen)
{
_parentScanNumber = ParentFile.GetParentSpectrumNumber(SpectrumNumber);
}
else
{
throw new ArgumentException("The parent data file is closed");
}
return(_parentScanNumber);
}
public void StoreChanges()
{
byte[] Data = ParentFile.GetFileData();
Helpers.WriteString(ref Data, Offset, _Name, 8);
Helpers.Overwrite32(ref Data, Offset + 0x08, _Parameters);
Helpers.Overwrite32(ref Data, Offset + 0x0C, BitConverter.ToUInt32(BitConverter.GetBytes(_Position.X), 0));
Helpers.Overwrite32(ref Data, Offset + 0x10, BitConverter.ToUInt32(BitConverter.GetBytes(_Position.Y), 0));
Helpers.Overwrite32(ref Data, Offset + 0x14, BitConverter.ToUInt32(BitConverter.GetBytes(_Position.Z), 0));
Helpers.Overwrite16(ref Data, Offset + 0x18, (ushort)(_Rotation.X * 182.04444444444444f));
Helpers.Overwrite16(ref Data, Offset + 0x1A, (ushort)(_Rotation.Y * 182.04444444444444f));
Helpers.Overwrite16(ref Data, Offset + 0x1C, (ushort)(_Rotation.Z * 182.04444444444444f));
Helpers.Overwrite16(ref Data, Offset + 0x1E, _Unknown);
ParentFile.SetFileData(Data);
}
private void LoadObject()
{
lock (ParentFile)
{
using (var reader = ParentFile.GetReaderAtDataOffset())
{
try
{
_object = (T)Activator.CreateInstance(typeof(T), this, reader);
} catch (System.MissingMethodException)
{
// Try with bool param
_object = (T)Activator.CreateInstance(typeof(T), this, reader, false);
}
}
}
}
public override int GetHashCode()
{
return(ParentFile.GetHashCode() ^ SpectrumNumber);
}
// TODO: kill DX80s/SWs?
public ZipArchive GetZipArchive()
{
return(new(ParentFile.GetLumpStream(Paklump)));
}
protected AirdInfo buildBasicInfo()
{
AirdInfo airdInfo = new AirdInfo();
List <DomainsCore.Aird.Software> softwares = new List <DomainsCore.Aird.Software>();
List <ParentFile> parentFiles = new List <ParentFile>();
//Basic Job Info
airdInfo.airdPath = jobInfo.airdFilePath;
airdInfo.fileSize = fileSize;
airdInfo.createDate = new DateTime();
airdInfo.type = jobInfo.type;
airdInfo.totalScanCount = msd.run.spectrumList.size();
airdInfo.creator = jobInfo.jobParams.creator;
airdInfo.activator = activator;
airdInfo.energy = energy;
airdInfo.rtUnit = rtUnit;
airdInfo.msType = msType;
airdInfo.polarity = polarity;
//Scan index and window range info
airdInfo.rangeList = ranges;
//Block index
airdInfo.indexList = indexList;
//Instrument Info
List <Instrument> instruments = new List <Instrument>();
foreach (InstrumentConfiguration ic in msd.instrumentConfigurationList)
{
Instrument instrument = new Instrument();
//仪器设备信息
if (jobInfo.format.Equals("WIFF"))
{
instrument.manufacturer = "SCIEX";
}
if (jobInfo.format.Equals("RAW"))
{
instrument.manufacturer = "THERMO";
}
//设备信息在不同的源文件格式中取法不同,有些是在instrumentConfigurationList中获取,有些是在paramGroups获取,因此出现了以下比较丑陋的写法
if (ic.cvParams.Count != 0)
{
foreach (CVParam cv in ic.cvParams)
{
featuresMap.Add(cv.name, cv.value);
}
instrument.model = ic.cvParams[0].name;
}
else if (msd.paramGroups.Count != 0)
{
foreach (ParamGroup pg in msd.paramGroups)
{
if (pg.cvParams.Count != 0)
{
foreach (CVParam cv in pg.cvParams)
{
if (!featuresMap.ContainsKey(cv.name))
{
featuresMap.Add(cv.name, cv.value.ToString());
}
}
instrument.model = pg.cvParams[0].name;
}
}
}
foreach (Component component in ic.componentList)
{
switch (component.type)
{
case ComponentType.ComponentType_Analyzer:
foreach (CVParam cv in component.cvParams)
{
instrument.analyzer.Add(cv.name);
}
break;
case ComponentType.ComponentType_Source:
foreach (CVParam cv in component.cvParams)
{
instrument.source.Add(cv.name);
}
break;
case ComponentType.ComponentType_Detector:
foreach (CVParam cv in component.cvParams)
{
instrument.detector.Add(cv.name);
}
break;
}
}
instruments.Add(instrument);
}
airdInfo.instruments = instruments;
//Software Info
foreach (Software soft in msd.softwareList)
{
DomainsCore.Aird.Software software = new DomainsCore.Aird.Software();
software.name = soft.id;
software.version = soft.version;
softwares.Add(software);
}
DomainsCore.Aird.Software airdPro = new DomainsCore.Aird.Software();
airdPro.name = SoftwareInfo.NAME;
airdPro.version = SoftwareInfo.VERSION;
airdPro.type = "DataFormatConversion";
softwares.Add(airdPro);
airdInfo.softwares = softwares;
//Parent Files Info
foreach (SourceFile sf in msd.fileDescription.sourceFiles)
{
ParentFile file = new ParentFile();
file.name = sf.name;
file.location = sf.location;
file.formatType = sf.id;
parentFiles.Add(file);
}
airdInfo.parentFiles = parentFiles;
//Compressor Info
List <Compressor> coms = new List <Compressor>();
//mz compressor
Compressor mzCompressor = new Compressor();
if (jobInfo.jobParams.useStackZDPD())
{
mzCompressor.addMethod(Compressor.METHOD_STACK);
mzCompressor.digit = jobInfo.jobParams.digit;
}
mzCompressor.addMethod(Compressor.METHOD_PFOR);
mzCompressor.addMethod(Compressor.METHOD_ZLIB);
mzCompressor.target = Compressor.TARGET_MZ;
mzCompressor.precision = (int)(Math.Ceiling(1 / jobInfo.jobParams.mzPrecision));
coms.Add(mzCompressor);
//intensity compressor
Compressor intCompressor = new Compressor();
if (jobInfo.jobParams.useStackZDPD())
{
intCompressor.addMethod(Compressor.METHOD_STACK);
intCompressor.digit = jobInfo.jobParams.digit;
}
if (jobInfo.jobParams.log2)
{
intCompressor.addMethod(Compressor.METHOD_LOG10);
intCompressor.addMethod(Compressor.METHOD_ZLIB);
}
else
{
intCompressor.addMethod(Compressor.METHOD_ZLIB);
}
intCompressor.target = Compressor.TARGET_INTENSITY;
intCompressor.precision = 10; //intensity默认精确到小数点后1位
coms.Add(intCompressor);
airdInfo.compressors = coms;
airdInfo.ignoreZeroIntensityPoint = jobInfo.jobParams.ignoreZeroIntensity;
//Features Info
featuresMap.Add(Features.raw_id, msd.id);
featuresMap.Add(Features.ignore_zero_intensity, jobInfo.jobParams.ignoreZeroIntensity);
featuresMap.Add(Features.source_file_format, jobInfo.format);
featuresMap.Add(Features.byte_order, ByteOrder.LITTLE_ENDIAN);
featuresMap.Add(Features.aird_algorithm, jobInfo.jobParams.getAirdAlgorithmStr());
airdInfo.features = FeaturesUtil.toString(featuresMap);
airdInfo.version = SoftwareInfo.VERSION;
airdInfo.versionCode = SoftwareInfo.VERSION_CODE;
return(airdInfo);
}