public static decimal CalculateProteinInterfaceAverageResidueSequenceIndex(ClusteringResultProteinInterfaceListContainer.Chain.ProteinInterface proteinInterface)
{
if (ParameterValidation.IsProteinInterfaceNullOrEmpty(proteinInterface))
{
throw new ArgumentOutOfRangeException(nameof(proteinInterface));
}
decimal sumTotal = 0.0m;
int sumAtoms = 0;
foreach (ATOM_Record atom in proteinInterface.AtomList)
{
int residueSequenceIndex;
if (int.TryParse(atom.resSeq.FieldValue, out residueSequenceIndex))
{
sumTotal += residueSequenceIndex;
sumAtoms++;
}
}
decimal average = -1m;
if (sumAtoms > 0)
{
average = sumTotal / sumAtoms;
}
return(average);
}