/// <summary>
/// pairwise comparing two interfaces in a representative entry
/// </summary>
/// <param name="groupId"></param>
/// <param name="spaceGroup"></param>
/// <param name="pdbId"></param>
/// <param name="interfacesInSg"></param>
protected void AssignEntryInterfaceCompToTable(string pdbId, InterfaceChains[] interfacesInSg)
{
if (interfacesInSg == null)
{
return;
}
InterfacesComp interfaceComp = new InterfacesComp();
InterfacePairInfo[] interfacePairsInfo = interfaceComp.CompareInterfacesWithinCrystal(ref interfacesInSg);
foreach (InterfacePairInfo pairInfo in interfacePairsInfo)
{
if (pairInfo.qScore >= AppSettings.parameters.contactParams.minQScore)
{
DataRow interfaceCompRow = CrystInterfaceTables.crystInterfaceTables[CrystInterfaceTables.EntryInterfaceComp].NewRow();
interfaceCompRow["PdbID"] = pdbId;
interfaceCompRow["InterfaceID1"] = pairInfo.interfaceInfo1.interfaceId;
interfaceCompRow["InterfaceID2"] = pairInfo.interfaceInfo2.interfaceId;
interfaceCompRow["QScore"] = pairInfo.qScore;
if (pairInfo.isInterface2Reversed)
{
interfaceCompRow["IsReversed"] = 1;
}
else
{
interfaceCompRow["IsReversed"] = 0;
}
CrystInterfaceTables.crystInterfaceTables[CrystInterfaceTables.EntryInterfaceComp].Rows.Add(interfaceCompRow);
}
}
}
/* public ContactInCrystal(ParameterSettings inParameters, Hashtable asymHash)
* {
* parameters = inParameters;
* interfacesComp = new InterfacesComp ();
* asymChainHash = asymHash;
* }*/
public ContactInCrystal()
{
interfacesComp = new InterfacesComp();
}
