internal SmartsAtomAtomMapFilter(IAtomContainer query, IAtomContainer target)
{
IMultiDictionary <int, int> reactInvMap = null;
IMultiDictionary <int, int> prodInvMap = null;
this.target = target;
// transform query maps in to matchable data-structure
int numAtoms = query.Atoms.Count;
for (int idx = 0; idx < numAtoms; idx++)
{
IAtom atom = query.Atoms[idx];
int mapidx = Mapidx(atom);
if (mapidx == 0)
{
continue;
}
switch (Role(atom))
{
case ReactionRole.Reactant:
if (reactInvMap == null)
{
reactInvMap = new MultiDictionary <int, int>();
}
reactInvMap.Add(mapidx, idx);
break;
case ReactionRole.Product:
if (prodInvMap == null)
{
prodInvMap = new MultiDictionary <int, int>();
}
prodInvMap.Add(mapidx, idx);
break;
}
}
if (reactInvMap != null && prodInvMap != null)
{
foreach (var e in reactInvMap)
{
int[] reacMaps = e.Value.ToArray();
int[] prodMaps = prodInvMap[e.Key].ToArray();
if (prodMaps.Length == 0)
{
continue; // unpaired
}
mapped.Add(new MappedPairs(reacMaps, prodMaps));
}
}
}
public JmdicReader(ILogWriter log, string path, IMultiDictionary dictionary)
{
_log = log;
Stopwatch sw = new Stopwatch();
sw.Start();
_log.Debug($"Loading {path}");
_dictionary = dictionary;
_document = new XmlDocument();
_document.Load(path);
_log.Debug($"Indexing {path}");
CreateDictionary();
sw.Stop();
_log.Debug($"done in {sw.ElapsedMilliseconds}ms");
}
private static void PrintDictionary(IMultiDictionary <int, string> dictionary)
{
Console.WriteLine($"Dictionary Contains {dictionary.Count} values:");
Console.WriteLine($"Keys:");
foreach (var item in dictionary.Keys)
{
Console.Write($"{item} ");
}
Console.WriteLine();
Console.WriteLine($"Values:");
foreach (var item in dictionary.Values)
{
Console.Write($"{item} ");
}
Console.WriteLine("\n");
}
public JmdicFastReader(
ILogWriter log,
IResourceLocator resourceLocator,
IMultiDictionary dictionary)
{
_log = log;
_path = Path.Combine(resourceLocator.ResourcesPath, "data", "dic", "JMdict_e");
_dictionary = dictionary;
Stopwatch sw = new Stopwatch();
sw.Start();
_log.Debug($"Indexing {_path}");
ReadDictionary();
sw.Stop();
_log.Debug($"done in {sw.ElapsedMilliseconds}ms");
}
IEnumerable <T> DependencyTree <T, U>(IMultiDictionary <T, U> rel, T startItem)
{
HashSet <T> visited = new HashSet <T>();
Stack <T> pendingItems = new Stack <T>();
pendingItems.Push(startItem);
while (pendingItems.Count > 0)
{
T currentItem = pendingItems.Pop();
if (rel.ContainsKey(currentItem))
{
foreach (T depend in rel[currentItem].Cast <T>())
{
if (!visited.Contains(depend))
{
visited.Add(depend);
pendingItems.Push(depend);
yield return(depend);
}
}
}
}
}
public MultiDictionaryGraph()
{
items = new TMultiDictionary();
edges = new TCollection();
}