io_mesh_atomic/utility_gui.py

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