add_mesh_cluster.py

        # size = height, skin = diameter
        number_x = int(skin/(2*e))+4
        number_y = int(skin/(2*f))+4
        number_z = int(size/(2*g))
    else:
        number_x = int(size/(2*e))+4
        number_y = int(size/(2*f))+4
        number_z = int(size/(2*g))+1+4


    for k in range(-number_z,number_z+1):
        for j in range(-number_y,number_y+1):
            for i in range(-number_x,number_x+1):
                atom = Vector((float(i)*e,float(j)*f,float(k)*g)) 

                if y_displ == 1:
                    if z_displ == 1:
                        atom[0] += e/2.0  
                    else:
                        atom[0] -= e/2.0
                if z_displ == 1:
                    atom[0] -= e/2.0
                    atom[1] += df1
                if z_displ == 2:
                    atom[0] += 0.0
                    atom[1] += df2

                if ctype == "sphere_hex_abc":
                    message = vec_in_sphere(atom, size, skin)
                elif ctype == "pyramide_hex_abc":
                    # size = height, skin = diameter
                    message = vec_in_pyramide_hex_abc(atom, size, skin)
                elif ctype == "parabolid_abc":
                    message = vec_in_parabole(atom, size, skin)          

                if message[0] == True and message[1] == True:
                    atom_add = CLASS_atom_cluster_atom(atom)
                    ATOM_CLUSTER_ALL_ATOMS.append(atom_add)
                    atom_number_total += 1
                    atom_number_drawn += 1
                if message[0] == True and message[1] == False:
                    atom_number_total += 1                 
          
            if y_displ == 1:
                y_displ = 0
            else:
                y_displ = 1

        y_displ = 0
        if z_displ == 0:
           z_displ = 1
        elif z_displ == 1:
           z_displ = 2
        else:
           z_displ = 0

    print("Atom positions calculated")

    return (atom_number_total, atom_number_drawn)


def create_hexagonal_abab_lattice(ctype, size, skin, lattice):

    atom_number_total = 0
    atom_number_drawn = 0
    y_displ = "even"
    z_displ = "even"

    """
    e = (1/sqrt(2.0)) * lattice
    f = sqrt(3.0/4.0) * e
    df = (e/2.0) * tan((30.0/360.0)*2*pi)
    g = sqrt(2.0/3.0) * e
    """

    e = 0.7071067814 * lattice
    f = 0.8660254038 * e
    df = 0.2886751348 * e
    g = 0.8164965810 * e


    if ctype == "parabolid_ab":
        # size = height, skin = diameter
        number_x = int(skin/(2*e))+4
        number_y = int(skin/(2*f))+4
        number_z = int(size/(2*g))
    else:
        number_x = int(size/(2*e))+4
        number_y = int(size/(2*f))+4
        number_z = int(size/(2*g))+1+4


    for k in range(-number_z,number_z+1):
        for j in range(-number_y,number_y+1):
            for i in range(-number_x,number_x+1):

                atom = Vector((float(i)*e,float(j)*f,float(k)*g))
          
                if "odd" in y_displ:
                    if "odd" in z_displ:
                        atom[0] += e/2.0  
                    else:
                        atom[0] -= e/2.0
                if "odd" in z_displ:
                    atom[0] -= e/2.0
                    atom[1] += df

                if ctype == "sphere_hex_ab":
                    message = vec_in_sphere(atom, size, skin)
                elif ctype == "parabolid_ab":
                    # size = height, skin = diameter
                    message = vec_in_parabole(atom, size, skin)          
          
                if message[0] == True and message[1] == True:
                    atom_add = CLASS_atom_cluster_atom(atom)
                    ATOM_CLUSTER_ALL_ATOMS.append(atom_add)
                    atom_number_total += 1
                    atom_number_drawn += 1
                if message[0] == True and message[1] == False:
                    atom_number_total += 1  
          
            if "even" in y_displ:
                y_displ = "odd"
            else:
                y_displ = "even"

        y_displ = "even"
        if "even" in z_displ:
            z_displ = "odd"
        else:
            z_displ = "even"

    print("Atom positions calculated")

    return (atom_number_total, atom_number_drawn)


def create_square_lattice(ctype, size, skin, lattice):

    atom_number_total = 0
    atom_number_drawn = 0
    
    if ctype == "parabolid_square":
        # size = height, skin = diameter
        number_k = int(size/(2.0*lattice))
        number_j = int(skin/(2.0*lattice)) + 5
        number_i = int(skin/(2.0*lattice)) + 5
    else:
        number_k = int(size/(2.0*lattice))
        number_j = int(size/(2.0*lattice))
        number_i = int(size/(2.0*lattice))       


    for k in range(-number_k,number_k):
        for j in range(-number_j,number_j+1):
            for i in range(-number_i,number_i+1):

                atom = Vector((float(i),float(j),float(k))) * lattice 

                if ctype == "sphere_square":
                    message = vec_in_sphere(atom, size, skin)
                elif ctype == "pyramide_square":
                    message = vec_in_pyramide_square(atom, size, skin)
                elif ctype == "parabolid_square":
                    # size = height, skin = diameter
                    message = vec_in_parabole(atom, size, skin)          
                elif ctype == "octahedron":
                    message = vec_in_octahedron(atom, size, skin)            
                elif ctype == "truncated_octahedron":
                    message = vec_in_truncated_octahedron(atom,size, skin)

                if message[0] == True and message[1] == True:
                    atom_add = CLASS_atom_cluster_atom(atom)
                    ATOM_CLUSTER_ALL_ATOMS.append(atom_add)
                    atom_number_total += 1
                    atom_number_drawn += 1
                if message[0] == True and message[1] == False:
                    atom_number_total += 1 

    print("Atom positions calculated")

    return (atom_number_total, atom_number_drawn)