public void SelectGroup(SpaceGroupCl spaceGroup)
{
_selectedSpaceGroup = spaceGroup;
_groupSelected = true;
SpaceGroupNameLabel.Content = spaceGroup.Name;
BuildCompound();
}
public AtomVisual(Atom atom, string atomColor, SpaceGroupCl selectedSpaceGroup, CrystalCell atomCell,
List <Atom> multipliedAtoms, double xAxisL = 0, double yAxisL = 0, double zAxisL = 0)
{
if (selectedSpaceGroup == null)
{
throw new NotImplementedException();
}
this.atom = atom;
Content = MiscModel3DGroup;
double atomVisualSize = 0.4;
if (atom.Element[0] == 'O' && (atom.Element[1] != 's'))
{
atomVisualSize = 0.2;
}
//Model3DGroup atomRepro = new Model3DGroup();
List <Atom> atomReproList = new List <Atom>();
for (int i = 0; i < selectedSpaceGroup.Expressions.Length; i += 3)
{
double X = SpaceGroupCl.Evaluate(selectedSpaceGroup.Expressions[i + 1], 0, atom.Y, 0); //сухие координаты
double Y = SpaceGroupCl.Evaluate(selectedSpaceGroup.Expressions[i + 2], 0, 0, atom.Z);
double Z = SpaceGroupCl.Evaluate(selectedSpaceGroup.Expressions[i], atom.X, 0, 0);
if (X < 0)
{
X += 1;
}
if (Y < 0)
{
Y += 1;
}
if (Z < 0)
{
Z += 1;
}
if (X > 1)
{
X -= 1;
}
if (Y > 1)
{
Y -= 1;
}
if (Z > 1)
{
Z -= 1;
}
//
double a = atomCell.YAxisL;
double b = atomCell.ZAxisL;
double c = atomCell.XAxisL;
double xC = c * Math.Cos(ToRadians(atomCell.Gamma));
double yC = (b * c * Math.Cos(ToRadians(atomCell.Beta)) - xC * b * Math.Cos(ToRadians(atomCell.Alpha))) /
b * Math.Sin(ToRadians(atomCell.Alpha));
double zC = Math.Sqrt(c * c - xC * xC - yC * yC);
Vector3D xVector = new Vector3D(a * X, 0, 0);
Vector3D oyVector = new Vector3D(b * Math.Cos(ToRadians(atomCell.Alpha)) * Y, b * Math.Sin(ToRadians(atomCell.Alpha)) * Y, 0);
Vector3D zVector = new Vector3D(xC * Z, yC * Z, zC * Z);
Vector3D xyVector = Vector3D.Add(xVector, oyVector);
Vector3D xyzVector = Vector3D.Add(xyVector, zVector);
//
var addedAtom = new Atom(atom.Element, Z.ToString(), X.ToString(), Y.ToString(), null);
if (multipliedAtoms.Contains(addedAtom))
{
continue;
}
multipliedAtoms.Add(addedAtom);
AtomVisual multipliedAtomVisual = new AtomVisual((Point3D)xyzVector, atomVisualSize, atomColor, addedAtom);
Children.Add(multipliedAtomVisual);
atomReproList.Add(new Atom(atom.Element, Z.ToString(), X.ToString(), Y.ToString(), atom.Brush));
}
}