protected override bool IsMatch(Target target, PeptideDocNode nodePep, out TransitionGroupDocNode nodeGroup)
{
string seqSimplified = SimplifyUnimodSequence(target.Sequence);
var seqLight = FastaSequence.StripModifications(seqSimplified, FastaSequence.RGX_HEAVY);
var seqHeavy = FastaSequence.StripModifications(seqSimplified, FastaSequence.RGX_LIGHT);
var calcLight = Settings.TryGetPrecursorCalc(IsotopeLabelType.light, nodePep.ExplicitMods);
foreach (TransitionGroupDocNode nodeGroupChild in nodePep.Children)
{
nodeGroup = nodeGroupChild;
if (nodeGroup.TransitionGroup.LabelType.IsLight)
{
// Light modifications must match.
if (!EqualsModifications(seqLight, calcLight, null))
{
return(false);
}
// If the sequence only has light modifications, a match has been found.
if (Equals(seqLight, seqSimplified))
{
return(true);
}
}
else
{
var calc = Settings.TryGetPrecursorCalc(nodeGroup.TransitionGroup.LabelType, nodePep.ExplicitMods);
if (calc != null && EqualsModifications(seqHeavy, calc, calcLight))
{
return(true);
}
}
}
nodeGroup = null;
return(false);
}
public PeptideDocNode CreateDocNodeFromSettings(string seq, Peptide peptide, SrmSettingsDiff diff,
out TransitionGroupDocNode nodeGroupMatched)
{
seq = Transition.StripChargeIndicators(seq, TransitionGroup.MIN_PRECURSOR_CHARGE, TransitionGroup.MAX_PRECURSOR_CHARGE);
if (peptide == null)
{
string seqUnmod = FastaSequence.StripModifications(seq);
try
{
peptide = new Peptide(null, seqUnmod, null, null,
Settings.PeptideSettings.Enzyme.CountCleavagePoints(seqUnmod));
}
catch (InvalidDataException)
{
nodeGroupMatched = null;
return(null);
}
}
// Use the number of modifications as the maximum, if it is less than the current
// settings to keep from over enumerating, which can be slow.
var filter = new MaxModFilter(Math.Min(seq.Count(c => c == '[' || c == '('),
Settings.PeptideSettings.Modifications.MaxVariableMods));
foreach (var nodePep in peptide.CreateDocNodes(Settings, filter))
{
var nodePepMod = CreateDocNodeFromSettings(seq, nodePep, diff, out nodeGroupMatched);
if (nodePepMod != null)
{
return(nodePepMod);
}
}
nodeGroupMatched = null;
return(null);
}
/// <summary>
/// Compares the modifications indicated in the sequence string to the calculated masses.
/// </summary>
/// <param name="seq">The modified sequence.</param>
/// <param name="calc">Calculator used to calculate the masses.</param>
/// <param name="calcLight">
/// Additional light calculator if necessary to isolate mass changes
/// caused by heavy modifications alone.
/// </param>
/// <returns>
/// True if the given calculators explain the modifications indicated on the sequence,
/// false otherwise.
/// </returns>
private bool EqualsModifications(string seq, IPrecursorMassCalc calc, IPrecursorMassCalc calcLight)
{
var modifications = Settings.PeptideSettings.Modifications;
bool structural = calcLight == null;
string aas = FastaSequence.StripModifications(seq);
foreach (var info in EnumerateSequenceInfos(seq, true))
{
int indexAA = info.IndexAA; // ReSharper
var aa = aas[indexAA];
var roundedTo = info.RoundedTo;
// If the user has indicated the modification by name, find that modification
// and calculate the mass.
double massKey;
if (info.Mass != null)
{
massKey = (double)info.Mass;
}
else
{
var info1 = info;
StaticMod modMatch = null;
int index;
if (structural &&
((index = modifications.StaticModifications.IndexOf(mod => Equals(mod.Name, info1.Name)))
!= -1))
{
modMatch = modifications.StaticModifications[index];
}
if (!structural &&
((index = modifications.HeavyModifications.IndexOf(mod => Equals(mod.Name, info1.Name)))
!= -1))
{
modMatch = modifications.HeavyModifications[index];
}
if (modMatch == null)
{
return(false);
}
roundedTo = DEFAULT_ROUNDING_DIGITS;
massKey = Math.Round(GetDefaultModMass(aa, modMatch), roundedTo);
}
double massMod = Math.Round(calc.GetAAModMass(aas[indexAA], indexAA, aas.Length), roundedTo);
// Subtract the mass difference of the light
// modifications to isolate the masses of the heavy modifications.
if (calcLight != null)
{
massMod -= Math.Round(calcLight.GetAAModMass(aas[indexAA], indexAA, aas.Length), roundedTo);
}
if (!Equals(massKey, massMod))
{
return(false);
}
}
return(true);
}
public string SimplifyUnimodSequence(string seq)
{
var sb = new StringBuilder(seq);
string aas = FastaSequence.StripModifications(seq);
int indexAA = 0;
int i = 0;
while (i < seq.Length)
{
var aa = aas[indexAA];
int indexBracket = i + 1;
if (indexBracket < seq.Length && (FastaSequence.OPEN_MOD.Contains(seq[indexBracket])))
{
char openBracket = seq[indexBracket];
char closeBracket = FastaSequence.CLOSE_MOD[FastaSequence.OPEN_MOD.IndexOf(c => c == openBracket)];
int indexStart = indexBracket + 1;
int indexClose = seq.IndexOf(closeBracket, indexBracket);
string mod = seq.Substring(indexStart, indexClose - indexStart);
i = indexClose;
ModTerminus?modTerminus = null;
if (indexAA == 0)
{
modTerminus = ModTerminus.N;
}
if (indexAA == aas.Length - 1)
{
modTerminus = ModTerminus.C;
}
// Here we are only interested in uniMod
int uniModId;
if (TryGetIdFromUnimod(mod, out uniModId))
{
var staticMod = GetStaticMod(uniModId, aa, modTerminus);
if (staticMod == null)
{
ThrowUnimodException(seq, uniModId, indexAA, indexBracket, indexClose);
return(null); // Keep ReSharper happy
}
string name = staticMod.Name;
bool isHeavy = !UniMod.DictStructuralModNames.ContainsKey(name);
sb[indexBracket] = isHeavy ? '{' : '[';
sb[indexClose] = isHeavy ? '}' : ']';
}
}
// If the next character is a bracket, continue using the same amino
// acid and leave i where it is.
int iNext = i + 1;
if (iNext >= seq.Length || !FastaSequence.OPEN_MOD.Contains(seq[iNext]))
{
indexAA++;
i++;
}
}
return(sb.ToString());
}
public Peptide(FastaSequence fastaSequence, string sequence, int?begin, int?end, int missedCleavages, bool isDecoy)
{
_fastaSequence = fastaSequence;
Sequence = sequence;
Begin = begin;
End = end;
MissedCleavages = missedCleavages;
IsDecoy = isDecoy;
Validate();
}
public bool Equals(FastaSequence obj)
{
if (ReferenceEquals(null, obj))
{
return(false);
}
if (ReferenceEquals(this, obj))
{
return(true);
}
return(Equals(obj._name, _name) &&
Equals(obj._description, _description) &&
Equals(obj._sequence, _sequence) &&
ArrayUtil.EqualsDeep(obj.Alternatives, Alternatives) &&
obj.IsDecoy == IsDecoy);
}
private void Validate()
{
if (IsCustomIon)
{
Assume.IsNull(_fastaSequence);
Assume.IsNull(Sequence);
CustomIon.Validate();
}
else if (_fastaSequence == null)
{
if (Begin.HasValue || End.HasValue)
{
throw new InvalidDataException(Resources.Peptide_Validate_Peptides_without_a_protein_sequence_do_not_support_the_start_and_end_properties);
}
// No FastaSequence checked the sequence, so check it here.
FastaSequence.ValidateSequence(Sequence);
}
else
{
// Otherwise, validate the peptide sequence against the group sequence
if (!Begin.HasValue || !End.HasValue)
{
throw new InvalidDataException(Resources.Peptide_Validate_Peptides_from_protein_sequences_must_have_start_and_end_values);
}
if (0 > Begin.Value || End.Value > _fastaSequence.Sequence.Length)
{
throw new InvalidDataException(Resources.Peptide_Validate_Peptide_sequence_exceeds_the_bounds_of_the_protein_sequence);
}
var j = 0;
for (var i = Begin.Value; i < End.Value;)
{
if (!Equals(Sequence[j++], _fastaSequence.Sequence[i++]))
{
string sequenceCheck = _fastaSequence.Sequence.Substring(Begin.Value, End.Value - Begin.Value);
throw new InvalidDataException(
string.Format(Resources.Peptide_Validate_The_peptide_sequence__0__does_not_agree_with_the_protein_sequence__1__at__2__3__,
Sequence, sequenceCheck, Begin.Value, End.Value));
}
}
}
// CONSIDER: Validate missed cleavages some day?
}
public PeptideDocNode GetModifiedNode(string seq, FastaSequence fastaSequence)
{
var seqUnmod = FastaSequence.StripModifications(seq);
var peptide = fastaSequence != null
? fastaSequence.CreateFullPeptideDocNode(Settings, new Target(seqUnmod)).Peptide
: new Peptide(null, seqUnmod, null, null,
Settings.PeptideSettings.Enzyme.CountCleavagePoints(seqUnmod));
// First, try to create the peptide using the current settings.
TransitionGroupDocNode nodeGroup;
PeptideDocNode nodePep =
CreateDocNodeFromSettings(new Target(seq), peptide, SrmSettingsDiff.ALL, out nodeGroup);
if (nodePep != null)
{
return(nodePep);
}
// Create the peptideDocNode.
nodePep = fastaSequence == null
? new PeptideDocNode(peptide)
: fastaSequence.CreateFullPeptideDocNode(Settings, new Target(seqUnmod));
return(CreateDocNodeFromMatches(nodePep, EnumerateSequenceInfos(seq, false)));
}
public Peptide(FastaSequence fastaSequence, string sequence, int?begin, int?end, int missedCleavages)
: this(fastaSequence, sequence, begin, end, missedCleavages, false)
{
}
private IEnumerable <AAModInfo> EnumerateSequenceInfos(string seq, bool includeUnmod)
{
string aas = FastaSequence.StripModifications(seq);
bool isSpecificHeavy = FastaSequence.OPEN_MOD.All(paren => aas.Length > seq.Count(c => c == paren));
int indexAA = 0;
int indexAAInSeq = 0;
int i = 0;
while (i < seq.Length)
{
var aa = aas[indexAA];
int indexBracket = i + 1;
if (indexBracket < seq.Length && (FastaSequence.OPEN_MOD.Contains(seq[indexBracket])))
{
char openBracket = seq[indexBracket];
bool isHeavy = openBracket == '{';
char closeBracket = FastaSequence.CLOSE_MOD[FastaSequence.OPEN_MOD.IndexOf(c => c == openBracket)];
int indexStart = indexBracket + 1;
int indexClose = seq.IndexOf(closeBracket, indexBracket);
string mod = seq.Substring(indexStart, indexClose - indexStart);
i = indexClose;
ModTerminus?modTerminus = null;
if (indexAA == 0)
{
modTerminus = ModTerminus.N;
}
if (indexAA == aas.Length - 1)
{
modTerminus = ModTerminus.C;
}
string name = null;
double?mass = null;
int roundedTo = 0;
// If passed in modification in UniMod notation, look up the id and find the name and mass
int uniModId;
if (TryGetIdFromUnimod(mod, out uniModId))
{
var staticMod = GetStaticMod(uniModId, aa, modTerminus);
if (staticMod == null)
{
throw ThrowUnimodException(seq, uniModId, indexAA, indexBracket, indexClose);
}
name = staticMod.Name;
isHeavy = !UniMod.IsStructuralModification(name);
// CONSIDER: Mass depends on TransitionPrediction settings for precursors
mass = staticMod.MonoisotopicMass;
roundedTo = DEFAULT_ROUNDING_DIGITS;
}
else
{
MassModification massModification = MassModification.Parse(mod);
if (massModification != null)
{
mass = massModification.Mass;
roundedTo = Math.Min(massModification.Precision, DEFAULT_ROUNDING_DIGITS);
}
else
{
name = mod;
}
}
if (mass.HasValue)
{
mass = Math.Round(mass.Value, roundedTo);
}
var key = new AAModKey
{
Name = name,
Mass = mass,
AA = aa,
Terminus = modTerminus,
UserIndicatedHeavy = isHeavy,
RoundedTo = roundedTo,
AppearsToBeSpecificMod = isSpecificHeavy
};
yield return(new AAModInfo
{
ModKey = key,
IndexAA = indexAA,
IndexAAInSeq = indexAAInSeq,
});
}
else if (includeUnmod)
{
// If need unmodified amino acids (as when
// checking for equality), yield SequenceKeys for these AA's.
var key = new AAModKey
{
AA = aa,
Mass = 0
};
yield return(new AAModInfo
{
ModKey = key,
IndexAA = indexAA,
});
}
// If the next character is a bracket, continue using the same amino
// acid and leave i where it is.
int iNext = i + 1;
if (iNext >= seq.Length || !FastaSequence.OPEN_MOD.Contains(seq[iNext]))
{
i = indexAAInSeq = iNext;
indexAA++;
}
}
}
private SrmDocument AddProteins(SrmDocument document, ref IdentityPath selectedPath)
{
if (tabControl1.SelectedTab != tabPageProteinList)
return document;
var backgroundProteome = GetBackgroundProteome(document);
for (int i = gridViewProteins.Rows.Count - 1; i >= 0; i--)
{
var row = gridViewProteins.Rows[i];
var proteinName = Convert.ToString(row.Cells[colProteinName.Index].Value);
if (String.IsNullOrEmpty(proteinName))
{
continue;
}
var pastedMetadata = new ProteinMetadata(proteinName,
Convert.ToString(row.Cells[colProteinDescription.Index].Value),
NullForEmpty(Convert.ToString(row.Cells[colProteinPreferredName.Index].Value)),
NullForEmpty(Convert.ToString(row.Cells[colProteinAccession.Index].Value)),
NullForEmpty(Convert.ToString(row.Cells[colProteinGene.Index].Value)),
NullForEmpty(Convert.ToString(row.Cells[colProteinSpecies.Index].Value)));
FastaSequence fastaSequence = null;
if (!backgroundProteome.IsNone)
{
ProteinMetadata protdbMetadata;
fastaSequence = backgroundProteome.GetFastaSequence(proteinName, out protdbMetadata);
// Fill in any gaps in pasted metadata with that in protdb
pastedMetadata = pastedMetadata.Merge(protdbMetadata);
}
// Strip any whitespace (tab, newline etc) In case it was copied out of a FASTA file
var fastaSequenceString = new string(Convert.ToString(row.Cells[colProteinSequence.Index].Value).Where(c => !Char.IsWhiteSpace(c)).ToArray());
if (!string.IsNullOrEmpty(fastaSequenceString))
{
try
{
if (fastaSequence == null) // Didn't match anything in protdb
{
fastaSequence = new FastaSequence(pastedMetadata.Name, pastedMetadata.Description,
new ProteinMetadata[0], fastaSequenceString);
}
else
{
if (fastaSequence.Sequence != fastaSequenceString)
{
fastaSequence = new FastaSequence(pastedMetadata.Name, pastedMetadata.Description,
fastaSequence.Alternatives, fastaSequenceString);
}
}
}
catch (Exception exception)
{
ShowProteinError(new PasteError
{
Line = i,
Column = colProteinDescription.Index,
Message = string.Format(Resources.PasteDlg_AddProteins_Invalid_protein_sequence__0__, exception.Message)
});
return null;
}
}
if (fastaSequence == null)
{
ShowProteinError(
new PasteError
{
Line = i,
Message = backgroundProteome.IsNone
? Resources.PasteDlg_AddProteins_Missing_protein_sequence
: Resources.PasteDlg_AddProteins_This_protein_was_not_found_in_the_background_proteome_database
});
return null;
}
var description = pastedMetadata.Description;
if (!string.IsNullOrEmpty(description) && description != fastaSequence.Description)
{
fastaSequence = new FastaSequence(fastaSequence.Name, description, fastaSequence.Alternatives, fastaSequence.Sequence);
}
pastedMetadata = pastedMetadata.ChangeName(fastaSequence.Name).ChangeDescription(fastaSequence.Description); // Make sure these agree
var nodeGroupPep = new PeptideGroupDocNode(fastaSequence, pastedMetadata, new PeptideDocNode[0]);
nodeGroupPep = nodeGroupPep.ChangeSettings(document.Settings, SrmSettingsDiff.ALL);
var to = selectedPath;
if (to == null || to.Depth < (int)SrmDocument.Level.MoleculeGroups)
document = (SrmDocument)document.Add(nodeGroupPep);
else
{
Identity toId = selectedPath.GetIdentity((int)SrmDocument.Level.MoleculeGroups);
document = (SrmDocument)document.Insert(toId, nodeGroupPep);
}
selectedPath = new IdentityPath(nodeGroupPep.Id);
}
return document;
}
public IEnumerable <PeptideDocNode> GetPeptideNodes(SrmSettings settings, bool useFilter)
{
// FASTA sequences can generate a comprehensive list of available peptides.
FastaSequence fastaSeq = Id as FastaSequence;
if (fastaSeq != null)
{
foreach (PeptideDocNode nodePep in fastaSeq.CreatePeptideDocNodes(settings, useFilter, null))
{
yield return(nodePep);
}
}
// Peptide lists without variable modifications just return their existing children.
else if (!settings.PeptideSettings.Modifications.HasVariableModifications)
{
foreach (PeptideDocNode nodePep in Children)
{
if (!nodePep.HasVariableMods)
{
yield return(nodePep);
}
}
}
// If there are variable modifications, fill out the available list.
else
{
var setNonExplicit = new HashSet <Peptide>();
IPeptideFilter filter = (useFilter ? settings : PeptideFilter.UNFILTERED);
foreach (PeptideDocNode nodePep in Children)
{
if (nodePep.Peptide.IsCustomIon) // Modifications mean nothing to custom ions
{
yield return(nodePep);
}
else if (nodePep.HasExplicitMods && !nodePep.HasVariableMods)
{
yield return(nodePep);
}
else if (!setNonExplicit.Contains(nodePep.Peptide))
{
bool returnedResult = false;
var peptide = nodePep.Peptide;
// The peptide will be returned as the Id of the unmodified instance of this
// peptide. If the peptide DocNode is explicitly modified this will cause
// two nodes in the tree to have the same Id. So, use a copy instead.
if (nodePep.HasExplicitMods)
{
peptide = (Peptide)peptide.Copy();
}
foreach (PeptideDocNode nodePepResult in peptide.CreateDocNodes(settings, filter))
{
yield return(nodePepResult);
returnedResult = true;
}
// Make sure the peptide is not removed due to filtering
if (!returnedResult)
{
yield return(nodePep);
}
setNonExplicit.Add(nodePep.Peptide);
}
}
}
}
public PeptideDocNode GetModifiedNode(string seq, FastaSequence fastaSequence)
{
var seqUnmod = FastaSequence.StripModifications(seq);
var peptide = fastaSequence != null
? fastaSequence.CreateFullPeptideDocNode(Settings, seqUnmod).Peptide
: new Peptide(null, seqUnmod, null, null,
Settings.PeptideSettings.Enzyme.CountCleavagePoints(seqUnmod));
// First, try to create the peptide using the current settings.
TransitionGroupDocNode nodeGroup;
PeptideDocNode nodePep =
CreateDocNodeFromSettings(seq, peptide, SrmSettingsDiff.ALL, out nodeGroup);
if (nodePep != null)
return nodePep;
// Create the peptideDocNode.
nodePep = fastaSequence == null
? new PeptideDocNode(peptide)
: fastaSequence.CreateFullPeptideDocNode(Settings, seqUnmod);
return CreateDocNodeFromMatches(nodePep, EnumerateSequenceInfos(seq, false));
}
public void AppendTransition(ExTransitionInfo info, double? irt, double? libraryIntensity, double productMz, long lineNum)
{
_autoManageChildren = false;
// Treat this like a peptide list from now on.
PeptideList = true;
if (_activeFastaSeq == null && AA.Length > 0)
_activeFastaSeq = new FastaSequence(Name, Description, Alternatives, AA);
string sequence = info.PeptideSequence;
if (_activePeptide != null)
{
if (IsPeptideChanged(info))
{
CompletePeptide(true);
}
else
{
var intersectVariableMods = new List<ExplicitMods>(_activeVariableMods.Intersect(
info.PotentialVarMods));
// If unable to explain the next transition with the existing peptide, but the
// transition has the same precursor m/z as the last, try completing the existing
// peptide, and see if the current precursor can be completed as a new peptide
if (intersectVariableMods.Count == 0 && _activePrecursorMz == info.PrecursorMz)
{
CompletePeptide(false);
intersectVariableMods = new List<ExplicitMods>(info.PotentialVarMods);
foreach (var infoActive in _activeTransitionInfos)
{
intersectVariableMods = new List<ExplicitMods>(intersectVariableMods.Intersect(
infoActive.PotentialVarMods));
}
}
if (intersectVariableMods.Count > 0)
{
_activeVariableMods = intersectVariableMods;
}
else if (_activePrecursorMz == info.PrecursorMz)
{
var precursorMz = Math.Round(info.PrecursorMz, MassListImporter.MZ_ROUND_DIGITS);
var errorInfo = new TransitionImportErrorInfo(string.Format(Resources.PeptideGroupBuilder_AppendTransition_Failed_to_explain_all_transitions_for_0__m_z__1__with_a_single_set_of_modifications,
info.PeptideSequence, precursorMz),
null,
lineNum);
_peptideGroupErrorInfo.Add(errorInfo);
return;
}
else
{
CompletePeptide(true);
}
}
}
if (_activePeptide == null)
{
int? begin = null;
int? end = null;
if (_activeFastaSeq != null)
{
begin = _activeFastaSeq.Sequence.IndexOf(sequence, StringComparison.Ordinal);
if (begin == -1)
{
// CONSIDER: Use fasta sequence format code currently in SrmDocument to show formatted sequence.
throw new InvalidDataException(string.Format(Resources.PeptideGroupBuilder_AppendTransition_The_peptide__0__was_not_found_in_the_sequence__1__,
sequence, _activeFastaSeq.Name));
}
end = begin + sequence.Length;
}
_activePeptide = new Peptide(_activeFastaSeq, sequence, begin, end, _enzyme.CountCleavagePoints(sequence), info.TransitionExps[0].IsDecoy);
_activeModifiedSequence = info.ModifiedSequence;
_activePrecursorMz = info.PrecursorMz;
_activeVariableMods = new List<ExplicitMods>(info.PotentialVarMods.Distinct());
_activePrecursorExps = new List<PrecursorExp>(info.TransitionExps.Select(exp => exp.Precursor));
}
var intersectPrecursors = new List<PrecursorExp>(_activePrecursorExps.Intersect(
info.TransitionExps.Select(exp => exp.Precursor)));
if (intersectPrecursors.Count > 0)
{
_activePrecursorExps = intersectPrecursors;
}
else if (_activePrecursorMz == info.PrecursorMz)
{
var precursorMz = Math.Round(_activePrecursorMz, MassListImporter.MZ_ROUND_DIGITS);
var errorInfo = new TransitionImportErrorInfo(string.Format(Resources.PeptideGroupBuilder_AppendTransition_Failed_to_explain_all_transitions_for_m_z__0___peptide__1___with_a_single_precursor,
precursorMz, info.PeptideSequence),
null,
lineNum);
_peptideGroupErrorInfo.Add(errorInfo);
return;
}
else
{
CompleteTransitionGroup();
}
if (_irtValue.HasValue && (irt == null || Math.Abs(_irtValue.Value - irt.Value) > DbIrtPeptide.IRT_MIN_DIFF))
{
var precursorMz = Math.Round(info.PrecursorMz, MassListImporter.MZ_ROUND_DIGITS);
var errorInfo = new TransitionImportErrorInfo(string.Format(Resources.PeptideGroupBuilder_FinalizeTransitionGroups_Two_transitions_of_the_same_precursor___0___m_z__1_____have_different_iRT_values___2__and__3___iRT_values_must_be_assigned_consistently_in_an_imported_transition_list_,
info.PeptideSequence, precursorMz, _irtValue, irt),
null,
lineNum);
_peptideGroupErrorInfo.Add(errorInfo);
return;
}
if (_activePrecursorMz == 0)
{
_activePrecursorMz = info.PrecursorMz;
_activePrecursorExps = new List<PrecursorExp>(info.TransitionExps.Select(exp => exp.Precursor));
}
_activeTransitionInfos.Add(info);
if (libraryIntensity != null)
{
_activeLibraryIntensities.Add(new SpectrumPeaksInfo.MI { Intensity = (float)libraryIntensity.Value, Mz = productMz });
}
_irtValue = irt;
}
public PeptideGroupBuilder(FastaSequence fastaSequence, SrmSettings settings)
{
_activeFastaSeq = fastaSequence;
_autoManageChildren = true;
if (fastaSequence != null)
{
BaseName = Name = fastaSequence.Name;
Description = fastaSequence.Description;
Alternatives = fastaSequence.Alternatives.ToArray();
}
_settings = settings;
_enzyme = _settings.PeptideSettings.Enzyme;
_peptides = new List<PeptideDocNode>();
_charges = new Dictionary<int, int>();
_groupLibTriples = new List<TransitionGroupLibraryIrtTriple>();
_activeTransitionInfos = new List<ExTransitionInfo>();
_irtPeptides = new List<MeasuredRetentionTime>();
_librarySpectra = new List<SpectrumMzInfo>();
_activeLibraryIntensities = new List<SpectrumPeaksInfo.MI>();
_peptideGroupErrorInfo = new List<TransitionImportErrorInfo>();
_activeModifiedSequence = null;
}
public bool Equals(FastaSequence obj)
{
if (ReferenceEquals(null, obj)) return false;
if (ReferenceEquals(this, obj)) return true;
return Equals(obj._name, _name) &&
Equals(obj._description, _description) &&
Equals(obj._sequence, _sequence) &&
ArrayUtil.EqualsDeep(obj.Alternatives, Alternatives) &&
obj.IsDecoy == IsDecoy;
}
