/// <summary>
/// This method splits a List of AtomPair into separate chains.
/// </summary>
/// <param name="atomPairList"></param>
/// <param name="atomNumberInPair"></param>
/// <param name="distinct"></param>
/// <returns></returns>
private static ProteinAtomListContainer GetListOfAtomFromAtomPair(List <AtomPair> atomPairList, int atomNumberInPair, bool distinct = false)
{
if (atomNumberInPair != 1 && atomNumberInPair != 2)
{
throw new ArgumentOutOfRangeException(nameof(atomNumberInPair));
}
if (atomPairList == null || atomPairList.Count <= 0)
{
//return null;
throw new ArgumentOutOfRangeException(nameof(atomPairList));
}
var result = new ProteinAtomListContainer();
for (int index = 0; index < atomPairList.Count; index++)
{
AtomPair atomPair = atomPairList[index];
if (atomNumberInPair == 1)
{
result.AtomList.Add(atomPair.Atom1);
}
else if (atomNumberInPair == 2)
{
result.AtomList.Add(atomPair.Atom2);
}
}
if (distinct)
{
result.AtomList = result.AtomList.Distinct().ToList();
}
return(result);
}
public ProteinInteractionRecord(string proteinId, int proteinInteractionCount, AtomPair atomPair)
{
ProteinId = proteinId;
ProteinInteractionCount = proteinInteractionCount;
InteractingAtomPair = atomPair;
}