public string[] GetFileText()
{
List <string> text = new List <string>();
text.Add(DefaultDesignOperation.ToString());
text.Add("START");
List <ResfileAaIdentifier> positions = _operations.Keys.ToList();
positions.Sort((a, b) => a.ChainIndex != b.ChainIndex ? a.ChainIndex.CompareTo(b.ChainIndex) : a.AaIndex.CompareTo(b.AaIndex));
int chainIndex = 0;
char chain = DefaultChain;
foreach (ResfileAaIdentifier position in positions)
{
ResfileAaOperation operation = _operations[position];
while (chainIndex < position.ChainIndex)
{
chainIndex++;
chain = PdbQuick.GetNextChainId(chain);
}
string letters = operation.Letters.Aggregate("", (a, b) => a + b);
string line = String.Format("{0} {1} {2} {3}", position.AaIndex + 1, chain, operation.Operation, letters);
text.Add(line);
}
return(text.ToArray());
}
public void SetDesignOperation(ResfileDesignOperation operation, int chainIndex, int aaIndex, IEnumerable <char> letters = null)
{
ResfileAaIdentifier aaIdentifier = new ResfileAaIdentifier(chainIndex, aaIndex);
ResfileAaOperation aaOperation = new ResfileAaOperation(operation, letters);
_operations[aaIdentifier] = aaOperation;
}
