private bool Equals(CustomIon other)
{
var equal = string.Equals(Formula, other.Formula) &&
string.Equals(Name, other.Name) &&
MonoisotopicMass.Equals(other.MonoisotopicMass) &&
AverageMass.Equals(other.AverageMass);
return(equal); // For debugging convenience
}
public override int GetHashCode()
{
unchecked
{
var hashCode = ExplicitMod.GetHashCode();
hashCode = (hashCode * 397) ^ MonoisotopicMass.GetHashCode();
hashCode = (hashCode * 397) ^ AverageMass.GetHashCode();
return(hashCode);
}
}
public override int GetHashCode()
{
unchecked
{
int result = (Formula != null ? Formula.GetHashCode() : 0);
result = (result * 397) ^ MonoisotopicMass.GetHashCode();
result = (result * 397) ^ AverageMass.GetHashCode();
result = (result * 397) ^ Inclusion.GetHashCode();
return(result);
}
}
public override int GetHashCode()
{
unchecked
{
int hashCode = (Formula != null ? Formula.GetHashCode() : 0);
hashCode = (hashCode * 397) ^ (Name != null ? Name.GetHashCode() : 0);
hashCode = (hashCode * 397) ^ MonoisotopicMass.GetHashCode();
hashCode = (hashCode * 397) ^ AverageMass.GetHashCode();
return(hashCode);
}
}
public bool Equals(ChemicalFormula other)
{
if (other == null)
{
return(false);
}
if (ReferenceEquals(this, other))
{
return(true);
}
if (!MonoisotopicMass.MassEquals(other.MonoisotopicMass))
{
return(false);
}
if (!AverageMass.MassEquals(other.AverageMass))
{
return(false);
}
return(true);
}
public void WriteXml(XmlWriter writer, Adduct adduct)
{
if (adduct.IsEmpty)
{
writer.WriteAttributeIfString(ATTR.neutral_formula, Formula);
}
else
{
writer.WriteAttributeIfString(ATTR.ion_formula,
(Formula ?? string.Empty) +
(adduct.IsProteomic ? string.Empty : adduct.ToString()));
}
Assume.IsFalse(AverageMass.IsMassH()); // We're going to read these as neutral masses
Assume.IsFalse(MonoisotopicMass.IsMassH());
writer.WriteAttributeNullable(ATTR.neutral_mass_average, AverageMass);
writer.WriteAttributeNullable(ATTR.neutral_mass_monoisotopic, MonoisotopicMass);
if (!string.IsNullOrEmpty(Name))
{
writer.WriteAttribute(ATTR.custom_ion_name, Name);
}
writer.WriteAttributeIfString(ATTR.id, AccessionNumbers.ToSerializableString());
}
public int CompareTo(CustomMolecule other)
{
if (other == null)
{
return(1);
}
var result = string.CompareOrdinal(Name, other.Name);
if (result == 0)
{
result = string.CompareOrdinal(Formula, other.Formula);
if (result == 0)
{
result = AccessionNumbers.CompareTo(other.AccessionNumbers);
if (result == 0)
{
result = MonoisotopicMass.Equals(other.MonoisotopicMass, 5E-10) ? // Allow for float vs double serialization effects
0 : MonoisotopicMass.CompareTo(other.MonoisotopicMass);
}
}
}
return(result);
}
public bool Equals(Fragment other)
{
return(Type.Equals(other.Type) && Number.Equals(other.Number) && MonoisotopicMass.MassEquals(other.MonoisotopicMass));
}
public override int GetHashCode()
{
return(MonoisotopicMass.GetHashCode());
}
protected bool Equals(Modification other)
{
return(ExplicitMod.Equals(other.ExplicitMod) && MonoisotopicMass.Equals(other.MonoisotopicMass) &&
AverageMass.Equals(other.AverageMass));
}
public override string ToString()
{
return(MonoisotopicMass.ToString("F2") + "; z=" + Charge);
}
