private static void ParseMMFFCHARGE(Stream ins, Dictionary <BondKey, decimal> map)
{
using (var br = new StreamReader(ins, System.Text.Encoding.UTF8))
{
string line;
while ((line = br.ReadLine()) != null)
{
if (line.Length == 0 || line[0] == '*')
{
continue;
}
var cols = Strings.Tokenize(line);
if (cols.Count != 5)
{
throw new IOException("Malformed MMFFBOND.PAR file.");
}
var key = new BondKey(int.Parse(cols[0], NumberFormatInfo.InvariantInfo),
int.Parse(cols[1], NumberFormatInfo.InvariantInfo),
int.Parse(cols[2], NumberFormatInfo.InvariantInfo));
decimal bci = decimal.Parse(cols[3], NumberFormatInfo.InvariantInfo);
map[key] = bci;
map[key.Inv()] = -bci;
}
}
}
public override bool Equals(object o)
{
if (this == o)
{
return(true);
}
if (o == null || GetType() != o.GetType())
{
return(false);
}
BondKey bondKey = (BondKey)o;
if (cls != bondKey.cls)
{
return(false);
}
if (type1 != bondKey.type1)
{
return(false);
}
return(type2 == bondKey.type2);
}