private static void IterateOnHashes(ParticleGraphProto gr, HangedGraph hg, uint[] newHashes)
{
for (int i = gr.atoms.Count - 1; i >= 0; i--)
{
var atom = gr.atoms[i];
hg.Hang(atom);
newHashes[i] = hg.GetHash(rHashes);
}
for (int i = gr.atoms.Count - 1; i >= 0; i--)
{
gr.atoms[i].protoHash = newHashes[i];
}
}
public static uint GetStructureHash(List <Element> atoms, List <BondInfo> bonds, bool exact, AtomsReordering reordering = null)
{
if (atoms.Count == 0)
{
return(0);
}
var gr = new ParticleGraphProto(atoms, bonds, exact, rHashes);
int variant = reordering == null ? 0 : reordering.selectedReordering;
int total;
var hash = GetHashInner(gr, variant, out total);
if (reordering != null)
{
reordering.totalReorderings = total;
BuildReorderingArray(gr, reordering.reordering);
}
return(hash);
}
private static void BuildReorderingArray(ParticleGraphProto gr, List <int> reordering)
{
if (reordering == null)
{
return;
}
reordering.Clear();
var atoms = gr.atoms;
int atomsCount = atoms.Count;
if (reordering.Capacity < atomsCount)
{
reordering.Capacity = atomsCount;
}
for (int i = 0; i < atomsCount; i++)
{
reordering.Add(atoms[i].originalIndx);
}
}
private static void Print(ParticleGraphProto gr, string prefix = "")
{
var sb = new StringBuilder(prefix);
if (!string.IsNullOrEmpty(prefix))
{
sb.AppendLine();
}
for (int i = 0; i < gr.atoms.Count; i++)
{
var atom = gr.atoms[i];
sb.AppendFormat("\tatom {0} @{2} [ {1:X} ]\tbonds: ", atom.type, atom.protoHash, atom.originalIndx);
for (int j = 0; j < atom.bonds.Count; j++)
{
var bond = atom.bonds[j];
sb.AppendFormat("\t<b>{1}</b>@{2}@{3}->{0:X} ", bond.Other(atom).protoHash, bond.type - 127, bond.node1.originalIndx, bond.node2.originalIndx);
}
sb.AppendLine();
}
sb.AppendLine();
Debug.Log(sb.ToString());
}
private static uint GetHashInner(ParticleGraphProto gr, int variant, out int totalVariants)
{
uint hash;
totalVariants = 1;
gr.PrepareSimpleHashes();
gr.TrySortAndUpdateHash(out hash);
gr.PrepareSimpleHashes();
gr.TrySortAndUpdateHash(out hash);
_hangedGraph.AttachTo(gr);
if (!_hangedGraph.AllNodesConnected(gr.atoms[0]))
{
return(NOT_CONNECTED_HASH);
}
// try to get unique hash based only on hanged graphs on each atom
var newHashes = new uint[gr.atoms.Count];
for (int i = 0; i < gr.atoms.Count; i++)
{
IterateOnHashes(gr, _hangedGraph, newHashes);
if (gr.TrySortAndUpdateHash(out hash))
{
return(hash);
}
// there are symmetrical atoms. lets introduce some assymetry by changing hash in one of them
uint atomHash;
int variants = gr.CountSimilarVariants(out atomHash);
totalVariants *= variants;
int v = variant % variants;
variant /= variants;
gr.ModifySimilarHash(atomHash, v);
gr.TrySortAndUpdateHash(out hash);
}
Debug.LogError("Last\n\t" + hash);
return(hash);
}
