Пример #1
0
 public void SelectGroup(SpaceGroupCl spaceGroup)
 {
     _selectedSpaceGroup         = spaceGroup;
     _groupSelected              = true;
     SpaceGroupNameLabel.Content = spaceGroup.Name;
     BuildCompound();
 }
Пример #2
0
        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));
            }
        }