public override bool Parse(string line, TextReader file, OptIteration iteration)
{
var geom = GetGeom(line, file);
if (geom != null)
{
iteration.InputOrientation = geom;
}
return geom != null;
}
public bool Parse(string line, TextReader file, OptIteration iteration)
{
var match = EnergyRegex.Match(line);
if (match.Success)
{
iteration.Energy = decimal.Parse(match.Groups["energy"].Value);
return true;
}
return false;
}
public bool Parse(string line, TextReader file, OptIteration iteration)
{
var match = OptCompliteRegex.Match(line);
if (match.Success)
{
iteration.IsOptimal = true;
return true;
}
return false;
}
public abstract bool Parse(string line, TextReader file, OptIteration iteration);
public GeomSource(OptIteration iteration)
{
_iteration = iteration;
}
