internal MoleculeLibraryKey(ValueCache valueCache, LibraryKeyProto libraryKeyProto) : this(
valueCache,
SmallMoleculeLibraryAttributes.Create(
valueCache.CacheValue(libraryKeyProto.MoleculeName),
valueCache.CacheValue(libraryKeyProto.ChemicalFormula),
libraryKeyProto.InChiKey, libraryKeyProto.OtherKeys),
Adduct.FromString(libraryKeyProto.Adduct, Adduct.ADDUCT_TYPE.non_proteomic, null))
{
}
public override LibraryKey ValueFromCache(ValueCache valueCache)
{
var libraryKey = this;
if (valueCache.TryGetCachedValue(ref libraryKey))
{
return(libraryKey);
}
libraryKey = new PeptideLibraryKey
{
ModifiedSequence = valueCache.CacheValue(ModifiedSequence),
UnmodifiedSequence = valueCache.CacheValue(UnmodifiedSequence),
Charge = Charge,
};
return(valueCache.CacheValue(libraryKey));
}
public static ElibSpectrumInfo Read(ValueCache valueCache, Stream stream)
{
byte[] peptideModSeqBytes = new byte[PrimitiveArrays.ReadOneValue <int>(stream)];
stream.Read(peptideModSeqBytes, 0, peptideModSeqBytes.Length);
var peptideModSeq = valueCache.CacheValue(Encoding.UTF8.GetString(peptideModSeqBytes));
int charge = PrimitiveArrays.ReadOneValue <int>(stream);
int bestFileId = PrimitiveArrays.ReadOneValue <int>(stream);
int peakBoundCount = PrimitiveArrays.ReadOneValue <int>(stream);
var peakBounds = new List <KeyValuePair <int, FileData> >();
while (peakBounds.Count < peakBoundCount)
{
var fileId = PrimitiveArrays.ReadOneValue <int>(stream);
var startTime = PrimitiveArrays.ReadOneValue <double>(stream);
var endTime = PrimitiveArrays.ReadOneValue <double>(stream);
var score = PrimitiveArrays.ReadOneValue <double>(stream);
byte bHasApexTime = PrimitiveArrays.ReadOneValue <byte>(stream);
double?apexTime;
if (bHasApexTime == 0)
{
apexTime = null;
}
else
{
apexTime = PrimitiveArrays.ReadOneValue <double>(stream);
}
peakBounds.Add(new KeyValuePair <int, FileData>(fileId, new FileData(apexTime, new ExplicitPeakBounds(startTime, endTime, score))));
}
return(new ElibSpectrumInfo(peptideModSeq, charge, bestFileId, peakBounds));
}
public virtual LibraryKey ValueFromCache(ValueCache valueCache)
{
return(valueCache.CacheValue(this));
}
public virtual ComparisonKey Cache(ValueCache valueCache)
{
return(valueCache.CacheValue(this));
}
