/// <summary>
///
/// </summary>
/// <param name="interfaceInfo"></param>
/// <param name="asymLigandsHash"></param>
/// <returns></returns>
private Dictionary <string, AtomInfo[]>[] GetInterfaceLigandAtomInfoHashes(ProtInterfaceInfo interfaceInfo, Dictionary <string, string[]> asymLigandsHash, Dictionary <string, AtomInfo[]> entryChainsHash)
{
Dictionary <string, AtomInfo[]>[] ligandAtomInfoHashes = new Dictionary <string, AtomInfo[]> [2];
string[] ligandChains1 = asymLigandsHash[interfaceInfo.Chain1];
Dictionary <string, AtomInfo[]> ligandAtomInfoHash1 = new Dictionary <string, AtomInfo[]>();
string ligandSymOpString = "";
foreach (string ligandChain in ligandChains1)
{
ligandSymOpString = ligandChain + "_" + interfaceInfo.SymmetryString1;
if (entryChainsHash.ContainsKey(ligandSymOpString))
{
ligandAtomInfoHash1.Add(ligandSymOpString, entryChainsHash[ligandSymOpString]);
}
}
ligandAtomInfoHashes[0] = ligandAtomInfoHash1;
string[] ligandChains2 = asymLigandsHash[interfaceInfo.Chain2];
Dictionary <string, AtomInfo[]> ligandAtomInfoHash2 = new Dictionary <string, AtomInfo[]>();
foreach (string ligandChain in ligandChains2)
{
ligandSymOpString = ligandChain + "_" + interfaceInfo.SymmetryString2;
if (entryChainsHash.ContainsKey(ligandSymOpString))
{
ligandAtomInfoHash2.Add(ligandSymOpString, (AtomInfo[])entryChainsHash[ligandSymOpString]);
}
}
ligandAtomInfoHashes[1] = ligandAtomInfoHash2;
return(ligandAtomInfoHashes);
}
public ProtInterface(ProtInterfaceInfo interfaceInfo)
{
this.ASA = interfaceInfo.ASA;
this.Chain1 = interfaceInfo.Chain1;
this.Chain2 = interfaceInfo.Chain2;
this.ExistType = interfaceInfo.ExistType;
this.InterfaceId = interfaceInfo.InterfaceId;
this.Remark = interfaceInfo.Remark;
this.ResiduesInChain1 = interfaceInfo.ResiduesInChain1;
this.ResiduesInChain2 = interfaceInfo.ResiduesInChain2;
this.SymmetryString1 = interfaceInfo.SymmetryString1;
this.SymmetryString2 = interfaceInfo.SymmetryString2;
}
