__init__.py

# ##### BEGIN GPL LICENSE BLOCK #####
#
#  This program is free software; you can redistribute it and/or
#  modify it under the terms of the GNU General Public License
#  as published by the Free Software Foundation; either version 2
#  of the License, or (at your option) any later version.
#
#  This program is distributed in the hope that it will be useful,
#  but WITHOUT ANY WARRANTY; without even the implied warranty of
#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#  GNU General Public License for more details.
#
#  You should have received a copy of the GNU General Public License
#  along with this program; if not, write to the Free Software Foundation,
#  Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
#
# ##### END GPL LICENSE BLOCK #####

#
#  Main author       : Clemens Barth (Blendphys@root-1.de)
#  Authors           : Clemens Barth, Christine Mottet (Icosahedra), ...
#
#  Homepage(Wiki)    : http://development.root-1.de/Atomic_Blender.php
#
#  Start of project              : 2012-03-25 by Clemens Barth
#  First publication in Blender  : 2012-05-27 by Clemens Barth
#  Last modified                 : 2014-08-19
#
#
#
#  To do:
#  ======
#
#  1. Include other shapes: dodecahedron, ...
#  2. Skin option for parabolic shaped clusters
#  3. Skin option for icosahedron
#  4. Icosahedron: unlimited size ...
#

bl_info = {
    "name": "Atomic Blender - Cluster",
    "description": "Creating cluster formed by atoms",
    "author": "Clemens Barth",
    "version": (0, 5),
    "blender": (2, 71, 0),
    "location": "Panel: View 3D - Tools (left side)",
    "warning": "",
    "wiki_url": "http://wiki.blender.org/index.php/Extensions:2.6/Py/"
        "Scripts/Add_Mesh/Cluster",
    "tracker_url": "https://developer.blender.org/T31618",
    "category": "Add Mesh"}


import os
import io
import bpy
from bpy.types import Operator, Panel
from bpy_extras.io_utils import ImportHelper, ExportHelper
from bpy.props import (StringProperty,
                       BoolProperty,
                       EnumProperty,
                       IntProperty,
                       FloatProperty)

from . import add_mesh_cluster

ATOM_Cluster_PANEL = 0

# -----------------------------------------------------------------------------
#                                                                           GUI


class CLASS_ImportCluster(bpy.types.Operator):
    bl_idname = "mesh.cluster"
    bl_label = "Atom cluster"
    bl_options = {'REGISTER', 'UNDO', 'PRESET'}

    def execute(self, context):

        global ATOM_Cluster_PANEL
        ATOM_Cluster_PANEL = 1

        return {'FINISHED'}



class CLASS_atom_cluster_panel(Panel):
    bl_label       = "Atomic Blender - Cluster"
    bl_space_type  = "VIEW_3D"
    bl_region_type = "TOOL_PROPS"


    @classmethod
    def poll(self, context):
        global ATOM_Cluster_PANEL

        if ATOM_Cluster_PANEL == 0:
            return False

        return True

    def draw(self, context):
        layout = self.layout

        scn = context.scene.atom_cluster

        row = layout.row()
        row.label(text="Cluster properties")
        box = layout.box()
        row = box.row()
        row.prop(scn, "shape")

        if scn.shape in ["parabolid_square","parabolid_ab","parabolid_abc"]:
            row = box.row()
            row.prop(scn, "parabol_diameter")
            row = box.row()
            row.prop(scn, "parabol_height")
        elif scn.shape in ["icosahedron"]:
            row = box.row()
            row.prop(scn, "icosahedron_size")
        else:
            row = box.row()
            row.prop(scn, "size")
            row = box.row()
            row.prop(scn, "skin")

        row = box.row()
        row.prop(scn, "lattice_parameter")
        row = box.row()
        row.prop(scn, "element")
        row = box.row()
        row.prop(scn, "radius_type")
        row = box.row()
        row.prop(scn, "scale_radius")
        row = box.row()
        row.prop(scn, "scale_distances")

        row = layout.row()
        row.label(text="Load cluster")
        box = layout.box()
        row = box.row()
        row.operator("atom_cluster.load")
        row = box.row()
        row.label(text="Number of atoms")
        row = box.row()
        row.prop(scn, "atom_number_total")
        row = box.row()
        row.prop(scn, "atom_number_drawn")

        row = layout.row()
        row.label(text="Modify cluster")
        box = layout.box()
        row = box.row()
        row.label(text="All changes concern:")
        row = box.row()
        row.prop(scn, "radius_how")
        row = box.row()
        row.label(text="1. Change type of radii")
        row = box.row()
        row.prop(scn, "radius_type")
        row = box.row()
        row.label(text="2. Change atom radii by scale")
        row = box.row()
        col = row.column()
        col.prop(scn, "radius_all")
        col = row.column(align=True)
        col.operator( "atom_cluster.radius_all_bigger" )
        col.operator( "atom_cluster.radius_all_smaller" )


# The properties (gadgets) in the panel. They all go to scene
# during initialization (see end)
class CLASS_atom_cluster_Properties(bpy.types.PropertyGroup):

    def Callback_radius_type(self, context):
        scn = bpy.context.scene.atom_cluster
        DEF_atom_cluster_radius_type(scn.radius_type,
                                     scn.radius_how,)

    size = FloatProperty(
        name = "Size", default=30.0, min=0.1,
        description = "Size of cluster in Angstroem")
    skin = FloatProperty(
        name = "Skin", default=1.0, min=0.0, max = 1.0,
        description = "Skin of cluster in % of size (skin=1.0: show all atoms, skin=0.1: show only the outer atoms)")
    parabol_diameter = FloatProperty(
        name = "Diameter", default=30.0, min=0.1,
        description = "Top diameter in Angstroem")
    parabol_height = FloatProperty(
        name = "Height", default=30.0, min=0.1,
        description = "Height in Angstroem")
    icosahedron_size = IntProperty(
        name = "Size", default=1, min=1, max=13,
        description = "Size n: 1 (13 atoms), 2 (55 atoms), 3 (147 atoms), 4 (309 atoms), 5 (561 atoms), ..., 13 (8217 atoms)")
    shape = EnumProperty(
        name="",
        description="Choose the shape of the cluster",
        items=(('sphere_square',  "Sphere - square",   "Sphere with square lattice"),
               ('sphere_hex_ab',  "Sphere - hex ab",  "Sphere with hexagonal ab-lattice"),
               ('sphere_hex_abc', "Sphere - hex abc", "Sphere with hexagonal abc-lattice"),
               ('pyramide_square',  "Pyramide - Square",    "Pyramide: square (abc-lattice)"),
               ('pyramide_hex_abc', "Pyramide - Tetraeder", "Pyramide: tetraeder (abcabc-lattice)"),
               ('octahedron',           "Octahedron",           "Octahedron"),
               ('truncated_octahedron', "Truncated octahedron", "Truncated octahedron"),
               ('icosahedron', "Icosahedron", "Icosahedron"),
               ('parabolid_square', "Paraboloid: square",  "Paraboloid with square lattice"),
               ('parabolid_ab',     "Paraboloid: hex ab",  "Paraboloid with ab-lattice"),
               ('parabolid_abc',    "Paraboloid: hex abc", "Paraboloid with abc-lattice")),
               default='sphere_square',)
    lattice_parameter = FloatProperty(
        name = "Lattice", default=4.08, min=1.0,
        description = "Lattice parameter in Angstroem")
    element = StringProperty(name="Element",
        default="Gold", description = "Enter the name of the element")
    radius_type = EnumProperty(
        name="Radius",
        description="Which type of atom radii?",
        items=(('0',"predefined", "Use pre-defined radii"),
               ('1',"atomic", "Use atomic radii"),
               ('2',"van der Waals","Use van der Waals radii")),
               default='0',)
    scale_radius = FloatProperty(
        name = "Scale R", default=1.0, min=0.0,
        description = "Scale radius of atoms")
    scale_distances = FloatProperty(
        name = "Scale d", default=1.0, min=0.0,
        description = "Scale distances")

    atom_number_total = StringProperty(name="Total",
        default="---", description = "Number of all atoms in the cluster")
    atom_number_drawn = StringProperty(name="Drawn",
        default="---", description = "Number of drawn atoms in the cluster")

    radius_how = EnumProperty(
        name="",
        description="Which objects shall be modified?",
        items=(('ALL_ACTIVE',"all active objects", "in the current layer"),
               ('ALL_IN_LAYER',"all"," in active layer(s)")),
               default='ALL_ACTIVE',)
    radius_type = EnumProperty(
        name="Type",
        description="Which type of atom radii?",
        items=(('0',"predefined", "Use pre-defined radii"),
               ('1',"atomic", "Use atomic radii"),
               ('2',"van der Waals","Use van der Waals radii")),
               default='0',update=Callback_radius_type)
    radius_all = FloatProperty(
        name="Scale", default = 1.05, min=0.0,
        description="Put in the scale factor")


# The button for reloading the atoms and creating the scene
class CLASS_atom_cluster_load_button(Operator):
    bl_idname = "atom_cluster.load"
    bl_label = "Load"
    bl_description = "Load the cluster"

    def execute(self, context):
        scn    = context.scene.atom_cluster

        add_mesh_cluster.DEF_atom_read_atom_data()
        del add_mesh_cluster.ATOM_CLUSTER_ALL_ATOMS[:]

        if scn.shape in ["parabolid_ab", "parabolid_abc", "parabolid_square"]:
            parameter1 = scn.parabol_height
            parameter2 = scn.parabol_diameter
        elif scn.shape == "pyramide_hex_abc":
            parameter1 = scn.size * 1.6
            parameter2 = scn.skin
        elif scn.shape == "pyramide_square":
            parameter1 = scn.size * 1.4
            parameter2 = scn.skin
        elif scn.shape in ["octahedron", "truncated_octahedron"]:
            parameter1 = scn.size * 1.4
            parameter2 = scn.skin
        elif scn.shape in ["icosahedron"]:
            parameter1 = scn.icosahedron_size
        else:
            parameter1 = scn.size
            parameter2 = scn.skin

        if scn.shape in ["octahedron", "truncated_octahedron", "sphere_square", "pyramide_square", "parabolid_square"]:
            numbers = add_mesh_cluster.create_square_lattice(
                                scn.shape,
                                parameter1,
                                parameter2,
                                (scn.lattice_parameter/2.0))

        if scn.shape in ["sphere_hex_ab", "parabolid_ab"]:
            numbers = add_mesh_cluster.create_hexagonal_abab_lattice(
                                scn.shape,
                                parameter1,
                                parameter2,
                                scn.lattice_parameter)

        if scn.shape in ["sphere_hex_abc", "pyramide_hex_abc", "parabolid_abc"]:
            numbers = add_mesh_cluster.create_hexagonal_abcabc_lattice(
                                scn.shape,
                                parameter1,
                                parameter2,
                                scn.lattice_parameter)

        if scn.shape in ["icosahedron"]:
            numbers = add_mesh_cluster.create_icosahedron(
                                parameter1,
                                scn.lattice_parameter)

        DEF_atom_draw_atoms(scn.element,
                            scn.radius_type,
                            scn.scale_radius,
                            scn.scale_distances)

        scn.atom_number_total = str(numbers[0])
        scn.atom_number_drawn = str(numbers[1])

        return {'FINISHED'}


def DEF_atom_draw_atoms(prop_element,
                        prop_radius_type,
                        prop_scale_radius,
                        prop_scale_distances):

    current_layers=bpy.context.scene.layers

    for element in add_mesh_cluster.ATOM_CLUSTER_ELEMENTS:
        if prop_element in element.name:
            number = element.number
            name = element.name
            color = element.color
            radii = element.radii
            break

    material = bpy.data.materials.new(name)
    material.name = name
    material.diffuse_color = color

    atom_vertices = []
    for atom in add_mesh_cluster.ATOM_CLUSTER_ALL_ATOMS:
        atom_vertices.append( atom.location * prop_scale_distances )

    # Build the mesh
    atom_mesh = bpy.data.meshes.new("Mesh_"+name)
    atom_mesh.from_pydata(atom_vertices, [], [])
    atom_mesh.update()
    new_atom_mesh = bpy.data.objects.new(name, atom_mesh)
    bpy.context.scene.objects.link(new_atom_mesh)

    bpy.ops.surface.primitive_nurbs_surface_sphere_add(
                            view_align=False, enter_editmode=False,
                            location=(0,0,0), rotation=(0.0, 0.0, 0.0),
                            layers=current_layers)

    ball = bpy.context.scene.objects.active
    ball.scale  = (radii[int(prop_radius_type)]*prop_scale_radius,) * 3

    ball.active_material = material
    ball.parent = new_atom_mesh
    new_atom_mesh.dupli_type = 'VERTS'

    # ------------------------------------------------------------------------
    # SELECT ALL LOADED OBJECTS
    bpy.ops.object.select_all(action='DESELECT')
    new_atom_mesh.select = True
    bpy.context.scene.objects.active = new_atom_mesh

    return True


# Routine to modify the radii via the type: predefined, atomic or van der Waals
# Explanations here are also valid for the next 3 DEFs.
def DEF_atom_cluster_radius_type(rtype,how):

    if how == "ALL_IN_LAYER":

        # Note all layers that are active.
        layers = []
        for i in range(20):
            if bpy.context.scene.layers[i] == True:
                layers.append(i)

        # Put all objects, which are in the layers, into a list.
        change_objects = []
        for obj in bpy.context.scene.objects:
            for layer in layers:
                if obj.layers[layer] == True:
                    change_objects.append(obj)

        # Consider all objects, which are in the list 'change_objects'.
        for obj in change_objects:
            if len(obj.children) != 0:
                if obj.children[0].type == "SURFACE" or obj.children[0].type  == "MESH":
                    for element in add_mesh_cluster.ATOM_CLUSTER_ELEMENTS:
                        if element.name in obj.name:
                            obj.children[0].scale = (element.radii[int(rtype)],) * 3
            else:
                if obj.type == "SURFACE" or obj.type == "MESH":
                    for element in add_mesh_cluster.ATOM_CLUSTER_ELEMENTS:
                        if element.name in obj.name:
                            obj.scale = (element.radii[int(rtype)],) * 3


# Routine to scale the radii of all atoms
def DEF_atom_cluster_radius_all(scale, how):

    if how == "ALL_IN_LAYER":

        layers = []
        for i in range(20):
            if bpy.context.scene.layers[i] == True:
                layers.append(i)

        change_objects = []
        for obj in bpy.context.scene.objects:
            for layer in layers:
                if obj.layers[layer] == True:
                    change_objects.append(obj)

        for obj in change_objects:
            if len(obj.children) != 0:
                if obj.children[0].type == "SURFACE" or obj.children[0].type  == "MESH":
                    if "Stick" not in obj.name:
                        obj.children[0].scale *= scale
            else:
                if obj.type == "SURFACE" or obj.type == "MESH":
                    if "Stick" not in obj.name:
                        obj.scale *= scale

    if how == "ALL_ACTIVE":
        for obj in bpy.context.selected_objects:
            if len(obj.children) != 0:
                if obj.children[0].type == "SURFACE" or obj.children[0].type  == "MESH":
                    if "Stick" not in obj.name:
                        obj.children[0].scale *= scale
            else:
                if obj.type == "SURFACE" or obj.type == "MESH":
                    if "Stick" not in obj.name:
                        obj.scale *= scale


# Button for increasing the radii of all atoms
class CLASS_atom_cluster_radius_all_bigger_button(Operator):
    bl_idname = "atom_cluster.radius_all_bigger"
    bl_label = "Bigger ..."
    bl_description = "Increase the radii of the atoms"

    def execute(self, context):
        scn = bpy.context.scene.atom_cluster
        DEF_atom_cluster_radius_all(
                scn.radius_all,
                scn.radius_how,)
        return {'FINISHED'}


# Button for decreasing the radii of all atoms
class CLASS_atom_cluster_radius_all_smaller_button(Operator):
    bl_idname = "atom_cluster.radius_all_smaller"
    bl_label = "Smaller ..."
    bl_description = "Decrease the radii of the atoms"

    def execute(self, context):
        scn = bpy.context.scene.atom_cluster
        DEF_atom_cluster_radius_all(
                1.0/scn.radius_all,
                scn.radius_how,)
        return {'FINISHED'}


# Routine to scale the radii of all atoms
def DEF_atom_cluster_radius_all(scale, how):

    if how == "ALL_IN_LAYER":

        layers = []
        for i in range(20):
            if bpy.context.scene.layers[i] == True:
                layers.append(i)

        change_objects = []
        for obj in bpy.context.scene.objects:
            for layer in layers:
                if obj.layers[layer] == True:
                    change_objects.append(obj)


        for obj in change_objects:
            if len(obj.children) != 0:
                if obj.children[0].type == "SURFACE" or obj.children[0].type  == "MESH":
                    if "Stick" not in obj.name:
                        obj.children[0].scale *= scale
            else:
                if obj.type == "SURFACE" or obj.type == "MESH":
                    if "Stick" not in obj.name:
                        obj.scale *= scale

    if how == "ALL_ACTIVE":
        for obj in bpy.context.selected_objects:
            if len(obj.children) != 0:
                if obj.children[0].type == "SURFACE" or obj.children[0].type  == "MESH":
                    if "Stick" not in obj.name:
                        obj.children[0].scale *= scale
            else:
                if obj.type == "SURFACE" or obj.type == "MESH":
                    if "Stick" not in obj.name:
                        obj.scale *= scale


# The entry into the menu 'file -> import'
def DEF_menu_func(self, context):
    self.layout.operator(CLASS_ImportCluster.bl_idname, icon='PLUGIN')

def register():
    bpy.utils.register_module(__name__)
    bpy.types.Scene.atom_cluster = bpy.props.PointerProperty(type=
                                                  CLASS_atom_cluster_Properties)
    bpy.types.INFO_MT_mesh_add.append(DEF_menu_func)

def unregister():
    bpy.utils.unregister_module(__name__)
    bpy.types.INFO_MT_mesh_add.remove(DEF_menu_func)

if __name__ == "__main__":

    register()