/// <summary>
/// Change the format of all modifications so that they are in the Skyline 3.7
/// format of having one digit after the decimal.
/// </summary>
public PeptideLibraryKey FormatToOneDecimal()
{
if (!HasModifications)
{
return(this);
}
StringBuilder newSequence = new StringBuilder();
int aaCount = 0;
foreach (var mod in GetModifications())
{
newSequence.Append(UnmodifiedSequence.Substring(aaCount, mod.Key + 1 - aaCount));
aaCount = mod.Key + 1;
var massModification = MassModification.Parse(mod.Value);
string newMod;
if (massModification == null)
{
newMod = mod.Value;
}
else
{
newMod = new MassModification(massModification.Mass, 1).ToString();
}
newSequence.Append(Model.ModifiedSequence.Bracket(newMod));
}
newSequence.Append(UnmodifiedSequence.Substring(aaCount));
return(new PeptideLibraryKey(newSequence.ToString(), Charge));
}
public TextSequence GetTextSequenceAtAaIndex(int residue)
{
Font font = ModFontHolder.Plain;
Color color = Color.Black;
String strAminoAcid = UnmodifiedSequence.Substring(residue, 1);
var modsAtResidue = GetModificationsAtResidue(residue).ToArray();
if (modsAtResidue.Length == 0)
{
return(new TextSequence
{
Color = color,
Font = font,
Text = strAminoAcid
});
}
var firstEntry = modsAtResidue[0];
color = ModFontHolder.GetModColor(firstEntry.Item1);
if (modsAtResidue.Skip(1).All(entry => entry.Item2.Equals(firstEntry.Item2)))
{
font = ModFontHolder.GetModFont(firstEntry.Item1);
return(new TextSequence
{
Color = color,
Font = font,
Text = strAminoAcid + DisplayModificationOption.GetModificationText(SrmSettings, firstEntry.Item2)
});
}
font = IsotopeLabelType.light.Equals(firstEntry.Item1)
? ModFontHolder.LightAndHeavy
: ModFontHolder.GetModFont(firstEntry.Item1);
string modText;
if (DisplayModificationOption == DisplayModificationOption.NOT_SHOWN)
{
modText = strAminoAcid;
}
else
{
modText = strAminoAcid + @"[*]";
}
return(new TextSequence
{
Color = color,
Font = font,
Text = modText
});
}
public TextSequence GetTextSequenceAtAaIndex(DisplayModificationOption displayModificationOption, int residue)
{
Font font = ModFontHolder.Plain;
Color color = Color.Black;
string strAminoAcid = UnmodifiedSequence.Substring(residue, 1);
var modsAtResidue = GetModificationsAtResidue(displayModificationOption, residue).ToArray();
if (residue == CrosslinkedIndexAa ||
modsAtResidue.Any(labeledMod => labeledMod.Item2.Any(mod => mod.ExplicitMod.LinkedPeptide != null)) ||
_lightSequenceInfo.LooplinkSites.Contains(residue))
{
return(new TextSequence
{
Color = COLOR_CROSSLINK,
Font = ModFontHolder.LightAndHeavy,
Text = strAminoAcid
});
}
if (modsAtResidue.Length == 0)
{
return(new TextSequence
{
Color = color,
Font = font,
Text = strAminoAcid
});
}
var firstEntry = modsAtResidue[0];
color = ModFontHolder.GetModColor(firstEntry.Item1);
var firstMismatch = modsAtResidue.Skip(1).FirstOrDefault(entry => !entry.Item2.Equals(firstEntry.Item2));
if (firstMismatch == null)
{
font = ModFontHolder.GetModFont(firstEntry.Item1);
return(new TextSequence
{
Color = color,
Font = font,
Text = strAminoAcid + displayModificationOption.GetModificationText(SrmSettings, firstEntry.Item2)
});
}
if (IsotopeLabelType.light.Equals(firstEntry.Item1))
{
font = ModFontHolder.LightAndHeavy;
color = ModFontHolder.GetModColor(firstMismatch.Item1);
}
else
{
font = ModFontHolder.LightAndHeavy;
}
string modText;
if (displayModificationOption == DisplayModificationOption.NOT_SHOWN)
{
modText = strAminoAcid;
}
else
{
modText = strAminoAcid + @"[*]";
}
return(new TextSequence
{
Color = color,
Font = font,
Text = modText
});
}
