public void Setup()
{
NHibernateUtil.CreateDatabase("test.db3");
}
public void CreateFeatureDatabase(string directoryPath, string databasePath)
{
var directory = GetPath(directoryPath);
databasePath = GetPath(databasePath);
// Loads the supported MultiAlign types
var supportedTypes = DatasetLoader.SupportedFileTypes;
var extensions = new List <string>();
supportedTypes.ForEach(x => extensions.Add("*" + x.Extension));
// Find our datasets
var datasetLoader = new DatasetLoader();
var datasets = datasetLoader.GetValidDatasets(directory, extensions, SearchOption.TopDirectoryOnly);
// Options setup
var instrumentOptions = InstrumentPresetFactory.Create(InstrumentPresets.LtqOrbitrap);
var featureTolerances = new FeatureTolerances
{
Mass = instrumentOptions.Mass + 6,
Net = instrumentOptions.NetTolerance,
DriftTime = instrumentOptions.DriftTimeTolerance
};
var featureFindingOptions = new LcmsFeatureFindingOptions(featureTolerances)
{
MaximumNetRange = .002,
MaximumScanRange = 50
};
var lcmsFilters = new LcmsFeatureFilteringOptions
{
FeatureLengthRangeScans = new FilterRange(50, 300)
};
var msFilterOptions = new MsFeatureFilteringOptions
{
MinimumIntensity = 5000,
ChargeRange = new FilterRange(1, 6),
ShouldUseChargeFilter = true,
ShouldUseDeisotopingFilter = true,
ShouldUseIntensityFilter = true
};
var spectralOptions = new SpectralOptions
{
ComparerType = SpectralComparison.CosineDotProduct,
Fdr = .01,
IdScore = 1e-09,
MzBinSize = .5,
MzTolerance = .5,
NetTolerance = .1,
RequiredPeakCount = 32,
SimilarityCutoff = .75,
TopIonPercent = .8
};
var finder = FeatureFinderFactory.CreateFeatureFinder(FeatureFinderType.TreeBased);
NHibernateUtil.CreateDatabase(databasePath);
// Synchronization and IO for serializing all data to the database.
var providers = DataAccessFactory.CreateDataAccessProviders(databasePath, true);
var cache = new FeatureLoader
{
Providers = providers
};
var datasetId = 0;
foreach (var dataset in datasets)
{
dataset.DatasetId = datasetId++;
var features = FindFeatures(dataset,
featureFindingOptions,
msFilterOptions,
lcmsFilters,
spectralOptions,
finder);
cache.CacheFeatures(features);
}
providers.DatasetCache.AddAll(datasets);
}
