public ValidatingIonMobilityPrecursor(DbPrecursorAndIonMobility value)
: this(value.DbPrecursorIon.GetLibKey(), value.GetIonMobilityAndCCS())
{
}
public IonMobilityDb UpdateIonMobilities(IList <DbPrecursorAndIonMobility> newMobilities)
{
var changeRecord = IonMobilityLibraryChange.NONE;
using (var session = OpenWriteSession())
{
var oldMoleculesSet = session.CreateCriteria <DbMolecule>().List <DbMolecule>();
var oldPrecursorsSet = session.CreateCriteria <DbPrecursorIon>().List <DbPrecursorIon>();
var oldMobilitiesSet = session.CreateCriteria <DbPrecursorAndIonMobility>().List <DbPrecursorAndIonMobility>();
var nDeleted = 0;
var nAdded = 0;
// Remove items that are no longer in the list
foreach (var mobilityOld in oldMobilitiesSet)
{
if (!newMobilities.Any(m => m.EqualsIgnoreId(mobilityOld)))
{
session.Delete(mobilityOld);
if (!newMobilities.Any(m => Equals(m.DbPrecursorIon, mobilityOld.DbPrecursorIon)))
{
session.Delete(mobilityOld.DbPrecursorIon);
if (!newMobilities.Any(m => Equals(m.DbPrecursorIon.DbMolecule, mobilityOld.DbPrecursorIon.DbMolecule)))
{
session.Delete(mobilityOld.DbPrecursorIon.DbMolecule);
nDeleted++;
}
}
}
}
// Add or update items that have changed from the old list
var newMobilitiesSet = new List <DbPrecursorAndIonMobility>();
var newMoleculesSet = new List <DbMolecule>();
var newPrecursorsSet = new List <DbPrecursorIon>();
foreach (var itemNew in newMobilities)
{
// Create a new instance, because not doing this causes a BindingSource leak
// Also we want to create a non-redundant set
if (!newMobilitiesSet.Any(m => m.EqualsIgnoreId(itemNew)))
{
newMobilitiesSet.Add(new DbPrecursorAndIonMobility(itemNew));
nAdded++;
}
if (!newPrecursorsSet.Any(m => m.EqualsIgnoreId(itemNew.DbPrecursorIon)))
{
newPrecursorsSet.Add(new DbPrecursorIon(itemNew.DbPrecursorIon));
}
if (!newMoleculesSet.Any(m => m.EqualsIgnoreId(itemNew.DbPrecursorIon.DbMolecule)))
{
newMoleculesSet.Add(new DbMolecule(itemNew.DbPrecursorIon.DbMolecule));
}
}
// Update the molecules table
using (var transaction = session.BeginTransaction())
{
foreach (var molecule in newMoleculesSet)
{
if (oldMoleculesSet.Any(m => m.EqualsIgnoreId(molecule)))
{
session.SaveOrUpdate(molecule);
}
else
{
session.Save(molecule);
}
}
transaction.Commit();
}
// Read them back to get their assigned IDs
oldMoleculesSet = session.CreateCriteria <DbMolecule>().List <DbMolecule>();
// Update the precursors table
using (var transaction = session.BeginTransaction())
{
foreach (var precursor in newPrecursorsSet)
{
var dbMoleculeWithId = oldMoleculesSet.FirstOrDefault(m => m.EqualsIgnoreId(precursor.DbMolecule));
var precursorWithMoleculeId =
new DbPrecursorIon(dbMoleculeWithId, precursor.GetPrecursorAdduct());
if (oldPrecursorsSet.Any(p => p.EqualsIgnoreId(precursor)))
{
session.SaveOrUpdate(precursorWithMoleculeId);
}
else
{
session.Save(precursorWithMoleculeId);
}
}
transaction.Commit();
}
// Read them back to get their assigned IDs
oldPrecursorsSet = session.CreateCriteria <DbPrecursorIon>().List <DbPrecursorIon>();
// Update the mobilities table
using (var transaction = session.BeginTransaction())
{
foreach (var mobility in newMobilitiesSet)
{
var dbPrecursorIonWithId = oldPrecursorsSet.FirstOrDefault(p => p.EqualsIgnoreId(mobility.DbPrecursorIon));
var mobilityWithPrecursorId = new DbPrecursorAndIonMobility(dbPrecursorIonWithId,
mobility.CollisionalCrossSectionSqA, mobility.IonMobilityNullable,
mobility.IonMobilityUnits, mobility.HighEnergyIonMobilityOffset);
if (oldMobilitiesSet.Any(m => m.EqualsIgnoreId(mobility)))
{
session.SaveOrUpdate(mobilityWithPrecursorId);
}
else
{
session.Save(mobilityWithPrecursorId);
}
}
transaction.Commit();
}
if (nAdded > 0 || nDeleted > 0)
{
var libInfo = session.CreateCriteria <DbLibInfo>().UniqueResult <DbLibInfo>();
libInfo.MajorVersion = libInfo.MajorVersion + 1;
libInfo.MinorVersion = DbLibInfo.SCHEMA_VERSION_CURRENT;
// Make sure LSID has version number consistent with libInfo.MajorVersion
var parts = libInfo.LibLSID.Split(':');
parts[parts.Length - 1] = string.Format(@"{0}.{1}", libInfo.MajorVersion, libInfo.MinorVersion);
libInfo.LibLSID = string.Join(@":", parts);
libInfo.CreateTime = new TimeStampISO8601().ToString(); // Update timestamp
session.Flush();
changeRecord = new IonMobilityLibraryChange() // For audit logging
{
LSID = libInfo.LibLSID,
CreationTime = libInfo.CreateTime,
Added = nAdded,
Deleted = nDeleted
};
}
}
var result = ChangeProp(ImClone(this), im => im.LoadIonMobilities());
return(ChangeProp(ImClone(result), im => im.LastChange = changeRecord)); // High level change description for audit logging
}
