/// <summary>
/// Create a new generator the given chemical graph.
/// </summary>
/// <param name="g">chemical graph</param>
/// <param name="visitedAt">the index of the atom in the output</param>
/// <param name="rnums"></param>
Generator(Graph g, int[] visitedAt, IRingNumbering rnums)
{
this.g = g;
this.rnums = rnums;
this.sb = new StringBuilder(g.Order * 2);
this.visitedAt = visitedAt;
this.tmp = new int[4];
this.tokens = new AtomToken[g.Order];
this.rings = new Dictionary <int, IList <RingClosure> >();
// prepare ring closures and topologies
Arrays.Fill(visitedAt, -1);
for (int u = 0; u < g.Order && nVisit < g.Order; u++)
{
if (visitedAt[u] < 0)
{
Prepare(u, u);
}
}
if (g.GetFlags(Graph.HAS_EXT_STRO) != 0)
{
for (int u = 0; u < g.Order; u++)
{
if (g.TopologyOf(u).Configuration.Type == Configuration.ConfigurationType.ExtendedTetrahedral)
{
SetAllenalStereo(g, visitedAt, u);
}
}
}
// write notation
nVisit = 0;
Arrays.Fill(visitedAt, -1);
for (int u = 0; u < g.Order && nVisit < g.Order; u++)
{
if (visitedAt[u] < 0)
{
if (u > 0)
{
rnums.Reset();
Write(u, u, Bond.Dot);
}
else
{
Write(u, u, Bond.Implicit);
}
}
}
}
/// <summary>
/// Create a new generator the given chemical graph.
/// </summary>
/// <param name="g">chemical graph</param>
/// <param name="rnums"></param>
public Generator(Graph g, IRingNumbering rnums)
: this(g, new int[g.Order], rnums)
{
}
