io_mesh_atomic/utility_gui.py

   1 # SPDX-FileCopyrightText: 2019-2022 Blender Foundation
   2 #
   3 # SPDX-License-Identifier: GPL-2.0-or-later
   4
   5 import bpy
   6 from bpy.types import Operator, Panel
   7 from bpy.props import (StringProperty,
   8                        EnumProperty,
   9                        FloatProperty,
  10                        BoolProperty)
  11
  12 from io_mesh_atomic.utility_panel import choose_objects
  13 from io_mesh_atomic.utility_panel import custom_datafile
  14 from io_mesh_atomic.utility_panel import custom_datafile_change_atom_props
  15 from io_mesh_atomic.utility_panel import separate_atoms
  16 from io_mesh_atomic.utility_panel import distance
  17
  18
  19 # -----------------------------------------------------------------------------
  20 #                                                                           GUI
  21
  22 # The panel.
  23 class PANEL_PT_prepare(Panel):
  24     bl_label       = "Atomic Blender Utilities"
  25     bl_space_type  = "VIEW_3D"
  26     bl_region_type = "UI"
  27     bl_options     = {'DEFAULT_CLOSED'}
  28     bl_category = "Create"
  29     bl_idname = "ATOMIC_PT_utilities"
  30
  31
  32     # This thing here just guarantees that the panel is NOT opened when the
  33     # check box in the addon preferences is not activated! See __init__.py
  34     @classmethod
  35     def poll(cls, context):
  36         pref = context.preferences
  37         return pref.addons[__package__].preferences.bool_utility
  38
  39     def draw(self, context):
  40         layout = self.layout
  41         scn    = context.scene.atom_blend
  42
  43         box = layout.box()
  44         col = box.column(align=True)
  45         col.label(text="Custom data file")
  46         col.prop(scn, "datafile")
  47         col.operator("atom_blend.datafile_apply")
  48
  49         box = layout.box()
  50         col = box.column(align=True)
  51         col.label(text="Measure distances")
  52         col.operator("atom_blend.button_distance")
  53         col.prop(scn, "distance")
  54
  55         box = layout.box()
  56         col = box.column(align=True)
  57         col.label(text="Change atom size")
  58         col.label(text="1. Type of radii")
  59         col.prop(scn, "radius_type")
  60         col2 = col.column()
  61         col2.active = (scn.radius_type == '3')
  62         col2.prop(scn, "radius_type_ionic")
  63         col = box.column(align=True)
  64         col.label(text="2. Radii in pm")
  65         col.prop(scn, "radius_pm_name")
  66         col.prop(scn, "radius_pm")
  67         col = box.column(align=True)
  68         col.label(text="3. Radii by scale")
  69         col.prop(scn, "radius_all")
  70         row = col.row()
  71         row.operator("atom_blend.radius_all_smaller")
  72         row.operator("atom_blend.radius_all_bigger")
  73
  74         box = layout.box()
  75         col = box.column(align=True)
  76         col.label(text="Change stick size")
  77         col.prop(scn, "sticks_all")
  78         row = col.row()
  79         row.operator("atom_blend.sticks_all_smaller")
  80         row.operator("atom_blend.sticks_all_bigger")
  81
  82         box = layout.box()
  83         col = box.column(align=True)
  84         col.label(text="Change atom shape")
  85         col2 = col.column()
  86         col2.active = (scn.replace_objs_special == '0')
  87         col2.prop(scn, "replace_objs")
  88         col2.prop(scn, "replace_objs_material")
  89         col.prop(scn, "replace_objs_special")
  90         col.operator("atom_blend.replace_atom")
  91         col.label(text="Default values")
  92         col.operator("atom_blend.default_atoms")
  93
  94         box = layout.box()
  95         col = box.column(align=True)
  96         col.label(text="Separate atoms")
  97         col3 = col.column()
  98         col3.active = (bpy.context.mode == 'EDIT_MESH')
  99         col3.operator("atom_blend.separate_atom")
 100
 101
 102 # The properties of buttons etc. in the panel.
 103 class PanelProperties(bpy.types.PropertyGroup):
 104
 105     def Callback_radius_type(self, context):
 106         scn = bpy.context.scene.atom_blend
 107         choose_objects("ATOM_RADIUS_TYPE",
 108                        None,
 109                        None,
 110                        scn.radius_type,
 111                        scn.radius_type_ionic,
 112                        None)
 113     def Callback_radius_pm(self, context):
 114         scn = bpy.context.scene.atom_blend
 115         choose_objects("ATOM_RADIUS_PM",
 116                        None,
 117                        [scn.radius_pm_name,
 118                        scn.radius_pm],
 119                        None,
 120                        None,
 121                        None)
 122
 123     datafile: StringProperty(
 124         name = "", description="Path to your custom data file",
 125         maxlen = 256, default = "", subtype='FILE_PATH')
 126     XYZ_file: StringProperty(
 127         name = "Path to file", default="",
 128         description = "Path of the XYZ file")
 129     number_atoms: StringProperty(name="",
 130         default="Number", description = "This output shows "
 131         "the number of atoms which have been loaded")
 132     distance: StringProperty(
 133         name="", default="Distance (A)",
 134         description="Distance of 2 objects in Angstrom")
 135     replace_objs: EnumProperty(
 136         name="Shape",
 137         description="Choose a different atom shape",
 138         items=(('0',"Unchanged", "Do not change the shape"),
 139                ('1a',"Sphere (Mesh)", "Replace with a sphere (Mesh)"),
 140                ('1b',"Sphere (NURBS)", "Replace with a sphere (NURBS)"),
 141                ('2',"Cube", "Replace with a cube"),
 142                ('3',"Plane", "Replace with a plane"),
 143                ('4a',"Circle (Mesh)", "Replace with a circle (Mesh)"),
 144                ('4b',"Circle (NURBS)", "Replace with a circle (NURBS)"),
 145                ('5a',"Icosphere 1", "Replace with a icosphere, subd=1"),
 146                ('5b',"Icosphere 2", "Replace with a icosphere, subd=2"),
 147                ('5c',"Icosphere 3", "Replace with a icosphere, subd=3"),
 148                ('5d',"Icosphere 4", "Replace with a icosphere, subd=4"),
 149                ('5e',"Icosphere 5", "Replace with a icosphere, subd=5"),
 150                ('6a',"Cylinder (Mesh)", "Replace with a cylinder (Mesh)"),
 151                ('6b',"Cylinder (NURBS)", "Replace with a cylinder (NURBS)"),
 152                ('7',"Cone", "Replace with a cone"),
 153                ('8a',"Torus (Mesh)", "Replace with a torus (Mesh)"),
 154                ('8b',"Torus (NURBS)", "Replace with a torus (NURBS)")),
 155                default='0',)
 156     replace_objs_material: EnumProperty(
 157         name="Material",
 158         description="Choose a different material",
 159         items=(('0',"Unchanged", "Leave the material unchanged"),
 160                ('1',"Normal", "Use normal material (no transparency and reflection)"),
 161                ('2',"Transparent", "Use transparent material"),
 162                ('3',"Reflecting", "Use reflecting material"),
 163                ('4',"Transparent + reflecting", "Use transparent and reflecting material")),
 164                default='0',)
 165     replace_objs_special: EnumProperty(
 166         name="Special",
 167         description="Choose a special atom shape",
 168         items=(('0',"None", "Use no special shape."),
 169                ('1',"F2+ center", "Replace with a F2+ center"),
 170                ('2',"F+ center", "Replace with a F+ center"),
 171                ('3',"F0 center", "Replace with a F0 center")),
 172                default='0',)
 173     radius_type: EnumProperty(
 174         name="Type",
 175         description="Which type of atom radii?",
 176         items=(('0',"predefined", "Use pre-defined radii"),
 177                ('1',"atomic", "Use atomic radii"),
 178                ('2',"van der Waals","Use van der Waals radii"),
 179                ('3',"ionic radii", "Use ionic radii")),
 180                default='0',update=Callback_radius_type)
 181     radius_type_ionic: EnumProperty(
 182         name="Charge",
 183         description="Charge state of the ions if existing",
 184         items=(('0',"-4", "Charge state -4"),
 185                ('1',"-3", "Charge state -3"),
 186                ('2',"-2", "Charge state -2"),
 187                ('3',"-1", "Charge state -1"),
 188                ('4'," 0", "Charge state  0: nothing is done"),
 189                ('5',"+1", "Charge state +1"),
 190                ('6',"+2", "Charge state +2"),
 191                ('7',"+3", "Charge state +3"),
 192                ('8',"+4", "Charge state +4"),
 193                ('9',"+5", "Charge state +5"),
 194                ('10',"+6", "Charge state +6"),
 195                ('11',"+7", "Charge state +7")),
 196                default='4',update=Callback_radius_type)
 197     radius_pm_name: StringProperty(
 198         name="", default="Atom name",
 199         description="Put in the name of the atom (e.g. Hydrogen)")
 200     radius_pm: FloatProperty(
 201         name="", default=100.0, min=0.0,
 202         description="Put in the radius of the atom (in pm)",
 203         update=Callback_radius_pm)
 204     radius_all: FloatProperty(
 205         name="Scale", default = 1.05, min=1.0, max=5.0,
 206         description="Put in the scale factor")
 207     sticks_all: FloatProperty(
 208         name="Scale", default = 1.05, min=1.0, max=5.0,
 209         description="Put in the scale factor")
 210
 211
 212 # Button loading a custom data file
 213 class DatafileApply(Operator):
 214     bl_idname = "atom_blend.datafile_apply"
 215     bl_label = "Apply"
 216     bl_description = "Use color and radii values stored in the custom file"
 217
 218     def execute(self, context):
 219         scn = bpy.context.scene.atom_blend
 220
 221         if scn.datafile == "":
 222             return {'FINISHED'}
 223
 224         custom_datafile(scn.datafile)
 225         custom_datafile_change_atom_props()
 226
 227         return {'FINISHED'}
 228
 229
 230 # Button for separating single atoms from a dupliverts structure
 231 class DefaultAtom(Operator):
 232     bl_idname = "atom_blend.default_atoms"
 233     bl_label = "Default"
 234     bl_description = ("Use default shapes and colors for atoms")
 235
 236     # Are we in the OBJECT mode?
 237     @classmethod
 238     def poll(self, context):
 239         if bpy.context.mode == 'OBJECT':
 240             return True
 241         else:
 242             return False
 243
 244     def execute(self, context):
 245         scn = bpy.context.scene.atom_blend
 246         choose_objects("ATOM_DEFAULT_OBJ",
 247                        None,
 248                        None,
 249                        None,
 250                        None,
 251                        None)
 252         return {'FINISHED'}
 253
 254
 255 # Button for separating single atoms from a dupliverts structure
 256 class ReplaceAtom(Operator):
 257     bl_idname = "atom_blend.replace_atom"
 258     bl_label = "Replace"
 259     bl_description = ("Replace selected atoms with atoms of different shape")
 260
 261     # Are we in the OBJECT mode?
 262     @classmethod
 263     def poll(self, context):
 264         if bpy.context.mode == 'OBJECT':
 265             return True
 266         else:
 267             return False
 268
 269     def execute(self, context):
 270         scn = bpy.context.scene.atom_blend
 271         choose_objects("ATOM_REPLACE_OBJ",
 272                        None,
 273                        None,
 274                        None,
 275                        None,
 276                        None)
 277         return {'FINISHED'}
 278
 279
 280 # Button for separating single atoms from a dupliverts structure
 281 class SeparateAtom(Operator):
 282     bl_idname = "atom_blend.separate_atom"
 283     bl_label = "Separate"
 284     bl_description = ("Separate selected atoms in a dupliverts structure. "
 285                       "You have to be in the 'Edit Mode'")
 286
 287     # Are we in the EDIT mode?
 288     @classmethod
 289     def poll(self, context):
 290         if bpy.context.mode == 'EDIT_MESH':
 291             return True
 292         else:
 293             return False
 294
 295     def execute(self, context):
 296         scn = bpy.context.scene.atom_blend
 297
 298         separate_atoms(scn)
 299
 300         return {'FINISHED'}
 301
 302
 303 # Button for measuring the distance of active objects
 304 class DistanceButton(Operator):
 305     bl_idname = "atom_blend.button_distance"
 306     bl_label = "Measure ..."
 307     bl_description = "Measure the distance between two atoms (objects)"
 308
 309     def execute(self, context):
 310         scn  = bpy.context.scene.atom_blend
 311         dist = distance()
 312
 313         # Put the distance into the string of the output field.
 314         scn.distance = dist
 315         return {'FINISHED'}
 316
 317
 318 # Button for increasing the radii of all selected atoms
 319 class RadiusAllBiggerButton(Operator):
 320     bl_idname = "atom_blend.radius_all_bigger"
 321     bl_label = "Bigger ..."
 322     bl_description = "Increase the radii of selected atoms"
 323
 324     def execute(self, context):
 325         scn = bpy.context.scene.atom_blend
 326         choose_objects("ATOM_RADIUS_ALL",
 327                        scn.radius_all,
 328                        None,
 329                        None,
 330                        None,
 331                        None)
 332         return {'FINISHED'}
 333
 334
 335 # Button for decreasing the radii of all selected atoms
 336 class RadiusAllSmallerButton(Operator):
 337     bl_idname = "atom_blend.radius_all_smaller"
 338     bl_label = "Smaller ..."
 339     bl_description = "Decrease the radii of selected atoms"
 340
 341     def execute(self, context):
 342         scn = bpy.context.scene.atom_blend
 343         choose_objects("ATOM_RADIUS_ALL",
 344                        1.0/scn.radius_all,
 345                        None,
 346                        None,
 347                        None,
 348                        None)
 349         return {'FINISHED'}
 350
 351
 352 # Button for increasing the radii of all selected sticks
 353 class SticksAllBiggerButton(Operator):
 354     bl_idname = "atom_blend.sticks_all_bigger"
 355     bl_label = "Bigger ..."
 356     bl_description = "Increase the radii of selected sticks"
 357
 358     def execute(self, context):
 359         scn = bpy.context.scene.atom_blend
 360         choose_objects("STICKS_RADIUS_ALL",
 361                        None,
 362                        None,
 363                        None,
 364                        None,
 365                        scn.sticks_all)
 366         return {'FINISHED'}
 367
 368
 369 # Button for decreasing the radii of all selected sticks
 370 class SticksAllSmallerButton(Operator):
 371     bl_idname = "atom_blend.sticks_all_smaller"
 372     bl_label = "Smaller ..."
 373     bl_description = "Decrease the radii of selected sticks"
 374
 375     def execute(self, context):
 376         scn = bpy.context.scene.atom_blend
 377         choose_objects("STICKS_RADIUS_ALL",
 378                        None,
 379                        None,
 380                        None,
 381                        None,
 382                        1.0/scn.sticks_all)
 383         return {'FINISHED'}