private static int GetIDWNeighbors(double[] InCellPoint, ref KDTreeDLL.KDTree InPointsTree, ref double[][] InPoints, out int[] Neighbors, IDWNeighborhoodType NeighborhoodType, int NeighborhoodCount, double NeighborhoodDistance, string ProjUnits)
{
int tmpIdx;
Neighbors = new int[1];
if (NeighborhoodType == IDWNeighborhoodType.Variable) //Taking NeighborhoodCount number of nearest points
{
if (NeighborhoodDistance == -1) //Then take NeighborhoodCount number of nearest points
{
Object[] ptIndexObjs = InPointsTree.nearest(InCellPoint, NeighborhoodCount);
if (ptIndexObjs.Length == 0)
{
return(-1);
}
Neighbors = new int[ptIndexObjs.Length];
for (int i = 0; i < ptIndexObjs.Length; i++)
{
Neighbors[i] = (int)ptIndexObjs[i];
}
}
else //Take NeighborhoodCount of nearest points that are a maximum of NeighborhoodDistance away
{
Object[] ptIndexObjs = InPointsTree.nearest(InCellPoint, NeighborhoodCount);
if (ptIndexObjs.Length == 0)
{
return(-1);
}
Neighbors = new int[ptIndexObjs.Length];
for (int i = 0; i < ptIndexObjs.Length; i++)
{
tmpIdx = (int)ptIndexObjs[i];
if (SpatialOperations.Distance(InCellPoint[0], InCellPoint[1], InPoints[tmpIdx][0], InPoints[tmpIdx][1], ProjUnits) <= NeighborhoodDistance)
{
Neighbors[i] = tmpIdx;
}
else
{
Neighbors[i] = -1;
}
}
}
}
else if (NeighborhoodType == IDWNeighborhoodType.Fixed) //Taking all points in fixed distance
{
//Something
//if (OutNeighbors.Count < NeighborhoodCount) //Test for minimum number of points found
//{
// return -1;
// //Error
//}
}
else
{
return(-1);
//Error
}
return(0);
}
public static Pdb CopyPdbOccupancyForMergedPsf(Pdb copyto, Pdb copyfrom1, Pdb copyfrom2)
{
KDTreeDLL.KDTree <Pdb.Atom> kdtree = new KDTreeDLL.KDTree <Pdb.Atom>(3);
foreach (var atom in copyfrom1.atoms)
{
kdtree.insert(atom.coord, atom);
}
foreach (var atom in copyfrom2.atoms)
{
kdtree.insert(atom.coord, atom);
}
Pdb pdb = copyto.Clone();
List <string> nlines = new List <string>();
for (int i = 0; i < pdb.elements.Length; i++)
{
var elemi = pdb.elements[i];
if ((elemi is Pdb.Atom) == false)
{
nlines.Add(elemi.line);
}
else
{
var atomi = elemi as Pdb.Atom;
var atomx = kdtree.nearest(atomi.coord);
HDebug.Assert(atomi.coord[0] == atomx.coord[0]);
HDebug.Assert(atomi.coord[1] == atomx.coord[1]);
HDebug.Assert(atomi.coord[2] == atomx.coord[2]);
/// 55 - 60 Real(6.2) occupancy Occupancy.
char[] line = atomi.line.ToCharArray();
line[55 - 1] = atomx.line[55 - 1];
line[56 - 1] = atomx.line[56 - 1];
line[57 - 1] = atomx.line[57 - 1];
line[58 - 1] = atomx.line[58 - 1];
line[59 - 1] = atomx.line[59 - 1];
line[60 - 1] = atomx.line[60 - 1];
string nline = line.HToString();
nlines.Add(nline);
Pdb.Atom natomi = Pdb.Atom.FromString(nline);
pdb.elements[i] = natomi;
}
}
return(pdb);
}
private static void CachePoints(string InPointsPath, int InValueFieldIndex, out KDTreeDLL.KDTree PointsTree, out double[][] Points, out double[] PointVals, out string Projection, out string ProjectionUnits, out MapWinGIS.Extents PointsExtents, MapWinGIS.ICallback callback)
{
int newperc = 0, oldperc = 0;
MapWinGIS.Shapefile pointsf = new MapWinGIS.Shapefile();
pointsf.Open(InPointsPath, null);
PointsExtents = pointsf.Extents;
Projection = pointsf.Projection;
if (Projection != null)
{
ProjectionUnits = Projection.Substring(Projection.IndexOf("units=") + 6);
ProjectionUnits = ProjectionUnits.Substring(0, ProjectionUnits.IndexOf("+")).Trim();
}
else
{
double tmpX = pointsf.Extents.xMax;
string tmpstr = Math.Floor(tmpX).ToString();
if (tmpstr.Length > 4)
{
ProjectionUnits = "";
}
else
{
ProjectionUnits = "lat/long";
}
}
PointsTree = new KDTreeDLL.KDTree(2);
MapWinGIS.Point currpt;
int ns = pointsf.NumShapes;
Points = new double[ns][];
PointVals = new double[ns];
int duplicates = 0;
for (int i = 0; i < ns; i++)
{
Points[i] = new double[2];
newperc = Convert.ToInt32((Convert.ToDouble(i) / Convert.ToDouble(ns)) * 100);
if ((newperc > oldperc))
{
if (callback != null)
{
callback.Progress("Status", newperc, "IDW Caching " + i.ToString());
}
oldperc = newperc;
}
currpt = pointsf.get_Shape(i).get_Point(0);
Points[i][0] = currpt.x;
Points[i][1] = currpt.y;
PointVals[i] = double.Parse(pointsf.get_CellValue(InValueFieldIndex, i).ToString());
try
{
if (PointsTree.search(Points[i]) == null)
{
PointsTree.insert(Points[i], i);
}
}
catch (KDTreeDLL.KeyDuplicateException)
{
duplicates++;
}
}
pointsf.Close();
}
public static IEnumerable <Tuple <int, int, double> > EnumHessAnmSpr(IList <Vector> coords, double cutoff, double sprcst)
{
if (HDebug.Selftest())
{
Vector[] _coords = Pdb.FromLines(SelftestData.lines_1L2Y_pdb).atoms.SelectByName("CA").ListCoord().ToArray().HSelectCount(10);
HashSet <Tuple <int, int, double> > sprs0 = //EnumHessAnmSpr_obsolete(_coords, 7, 1).HToHashSet();
new HashSet <Tuple <int, int, double> >
{
new Tuple <int, int, double>(0, 1, 1), new Tuple <int, int, double>(1, 0, 1), new Tuple <int, int, double>(0, 2, 1), new Tuple <int, int, double>(2, 0, 1), new Tuple <int, int, double>(0, 3, 1),
new Tuple <int, int, double>(3, 0, 1), new Tuple <int, int, double>(0, 4, 1), new Tuple <int, int, double>(4, 0, 1), new Tuple <int, int, double>(1, 2, 1), new Tuple <int, int, double>(2, 1, 1),
new Tuple <int, int, double>(1, 3, 1), new Tuple <int, int, double>(3, 1, 1), new Tuple <int, int, double>(1, 4, 1), new Tuple <int, int, double>(4, 1, 1), new Tuple <int, int, double>(1, 5, 1),
new Tuple <int, int, double>(5, 1, 1), new Tuple <int, int, double>(2, 3, 1), new Tuple <int, int, double>(3, 2, 1), new Tuple <int, int, double>(2, 4, 1), new Tuple <int, int, double>(4, 2, 1),
new Tuple <int, int, double>(2, 5, 1), new Tuple <int, int, double>(5, 2, 1), new Tuple <int, int, double>(2, 6, 1), new Tuple <int, int, double>(6, 2, 1), new Tuple <int, int, double>(3, 4, 1),
new Tuple <int, int, double>(4, 3, 1), new Tuple <int, int, double>(3, 5, 1), new Tuple <int, int, double>(5, 3, 1), new Tuple <int, int, double>(3, 6, 1), new Tuple <int, int, double>(6, 3, 1),
new Tuple <int, int, double>(3, 7, 1), new Tuple <int, int, double>(7, 3, 1), new Tuple <int, int, double>(4, 5, 1), new Tuple <int, int, double>(5, 4, 1), new Tuple <int, int, double>(4, 6, 1),
new Tuple <int, int, double>(6, 4, 1), new Tuple <int, int, double>(4, 7, 1), new Tuple <int, int, double>(7, 4, 1), new Tuple <int, int, double>(4, 8, 1), new Tuple <int, int, double>(8, 4, 1),
new Tuple <int, int, double>(5, 6, 1), new Tuple <int, int, double>(6, 5, 1), new Tuple <int, int, double>(5, 7, 1), new Tuple <int, int, double>(7, 5, 1), new Tuple <int, int, double>(5, 8, 1),
new Tuple <int, int, double>(8, 5, 1), new Tuple <int, int, double>(6, 7, 1), new Tuple <int, int, double>(7, 6, 1), new Tuple <int, int, double>(6, 8, 1), new Tuple <int, int, double>(8, 6, 1),
new Tuple <int, int, double>(6, 9, 1), new Tuple <int, int, double>(9, 6, 1), new Tuple <int, int, double>(7, 8, 1), new Tuple <int, int, double>(8, 7, 1), new Tuple <int, int, double>(7, 9, 1),
new Tuple <int, int, double>(9, 7, 1), new Tuple <int, int, double>(8, 9, 1), new Tuple <int, int, double>(9, 8, 1),
};
HashSet <Tuple <int, int, double> > sprs1 = EnumHessAnmSpr(_coords, 7, 1).HToHashSet();
HDebug.Exception(sprs0.Count == sprs1.Count);
foreach (var spr in sprs0)
{
HDebug.Exception(sprs1.Contains(spr));
}
}
KDTreeDLL.KDTree <object> kdtree = new KDTreeDLL.KDTree <object>(3);
for (int i = 0; i < coords.Count; i++)
{
kdtree.insert(coords[i], i);
}
int size = coords.Count;
double cutoff2 = cutoff * cutoff;
int num_springs = 0;
for (int c = 0; c < coords.Count; c++)
{
Vector lowk = coords[c] - (new double[] { cutoff, cutoff, cutoff });
Vector uppk = coords[c] + (new double[] { cutoff, cutoff, cutoff });
foreach (int r in kdtree.range(lowk, uppk))
{
if (c >= r)
{
continue;
}
double dist2 = (coords[c] - coords[r]).Dist2;
if (dist2 < cutoff2)
{
yield return(new Tuple <int, int, double>(c, r, sprcst));
yield return(new Tuple <int, int, double>(r, c, sprcst));
num_springs += 2;
}
}
}
double ratio_springs = ((double)num_springs) / (size * size);
}
