public override string ToString()
{
StringBuilder sb = new StringBuilder();
sb.Append($"{Text}");
sb.Append(" ");
sb.Append($"at {PointHelper.AsString(BoundingBox.Location)}");
sb.Append(" ");
sb.Append($"size {SafeDouble.AsString4(BoundingBox.Size.Width)}x{SafeDouble.AsString4(BoundingBox.Size.Height)}");
return(sb.ToString());
}
public override string ToString()
{
string result = $"{Style} from {PointHelper.AsString(Start)} to {PointHelper.AsString(End)}";
if (Bond != null)
{
result += $" [{Bond}]";
}
return(result);
}
/// <summary>
/// Checks to make sure the internals of the molecule haven't become busted up.
/// </summary>
public List <string> CheckIntegrity()
{
var mols = GetAllMolecules();
var result = new List <string>();
foreach (Molecule mol in mols)
{
result.AddRange(mol.CheckIntegrity());
}
var atoms = GetAllAtoms().ToList();
foreach (var atom in atoms)
{
var matches = atoms.Where(a => a.Id != atom.Id && SamePoint(atom.Position, a.Position, MeanBondLength * Globals.BondOffsetPercentage)).ToList();
if (matches.Any())
{
var plural = matches.Count > 1 ? "s" : "";
var clashes = matches.Select(a => a.Id);
result.Add($"Atom {atom.Id} - {atom.Element.Symbol} @ {PointHelper.AsString(atom.Position)} clashes with atom{plural} {string.Join(",", clashes)}");
}
}
// Local Function
bool SamePoint(Point a, Point b, double tolerance)
{
bool samePoint;
if (a.Equals(b))
{
samePoint = true;
}
else
{
Vector v = a - b;
samePoint = v.Length <= tolerance;
}
return(samePoint);
}
return(result);
}
public override string ToString()
{
var symbol = Element != null ? Element.Symbol : "???";
return($"Atom {Id} - {Path}: {symbol} @ {PointHelper.AsString(Position)}");
}
public override string ToString()
{
return($"{Character.Character} of {ParentAtom} @ {PointHelper.AsString(Position)}");
}