/// <summary>
///
/// </summary>
/// <param name="pdbId"></param>
/// <param name="crystInterfaces"></param>
private void CompareCrystBuInterfaces(string pdbId, InterfaceChains[] crystInterfaces)
{
// key: pdb bu id, value: a list of same BUs for the input entry
Dictionary <string, List <string> > pdbSameBuHash = null;
// the unique PDB BUs for the entry
string[] pdbDifBUs = GetEntryDifBUs(pdbId, "pdb", ref pdbSameBuHash);
Dictionary <string, InterfaceChains[]> pdbBuInterfacesHash = buInterfaceRetriever.GetEntryBuInterfaces(pdbId, pdbDifBUs, "pdb");
if (pdbBuInterfacesHash.Count == 0)
{
CompareEntryCrystBuInterfaces(pdbId, crystInterfaces, "pisa");
}
else
{
// key: pdb bu id, value: a list of pisa BUs which are same as the pdb bu
Dictionary <string, List <string> > samePdbBuHash = null;
// get those PISA BUs which are not same as any PDB BUs
string[] difPisaBUs = GetBUsDifFromPdb(pdbId, "pisa", ref samePdbBuHash);
foreach (string buId in pdbBuInterfacesHash.Keys)
{
InterfaceChains[] buInterfaces = (InterfaceChains[])pdbBuInterfacesHash[buId];
InterfacePairInfo[] interfaceCompPairs = interfaceComp.CompareInterfacesBetweenCrystals(crystInterfaces, buInterfaces);
List <string> sameBuList = new List <string> ();
if (pdbSameBuHash.ContainsKey(buId))
{
sameBuList = pdbSameBuHash[buId];
}
string[] sameBUs = new string[sameBuList.Count];
sameBuList.CopyTo(sameBUs);
AssignInterfaceCompInfoIntoTable(pdbId, buId, interfaceCompPairs, sameBUs, (int)BuType.PDB);
if (samePdbBuHash.ContainsKey(buId))
{
List <string> difTypeSameBuList = samePdbBuHash[buId];
string[] difTypeSameBUs = new string[difTypeSameBuList.Count];
difTypeSameBuList.CopyTo(difTypeSameBUs);
AssignInterfaceCompInfoIntoTableForSameBUs(pdbId, buId, interfaceCompPairs,
difTypeSameBUs, "PdbPisaBuInterfaceComp", (int)BuType.PISA);
}
}
if (difPisaBUs.Length > 0)
{
Dictionary <string, InterfaceChains[]> pisaBuInterfacesHash = buInterfaceRetriever.GetEntryBuInterfaces(pdbId, difPisaBUs, "pisa");
foreach (string buId in pisaBuInterfacesHash.Keys)
{
InterfaceChains[] buInterfaces = (InterfaceChains[])pisaBuInterfacesHash[buId];
InterfacePairInfo[] interfaceCompPairs = interfaceComp.CompareInterfacesBetweenCrystals(crystInterfaces, buInterfaces);
AssignInterfaceCompInfoIntoTable(pdbId, buId, interfaceCompPairs, (int)BuType.PISA);
}
}
}
}
/// <summary>
///
/// </summary>
/// <param name="buInterfaces1"></param>
/// <param name="buInterfaces2"></param>
/// <returns></returns>
private InterfacePairInfo[] CompareBuInterfaces(InterfaceChains[] buInterfaces1, InterfaceChains[] buInterfaces2)
{
InterfacePairInfo[] compResult = interfaceComp.CompareInterfacesBetweenCrystals(buInterfaces1, buInterfaces2);
return(compResult);
}