1 # SPDX-FileCopyrightText: 2019-2022 Blender Foundation
3 # SPDX-License-Identifier: GPL-2.0-or-later
6 from bpy
.types
import Operator
, Panel
7 from bpy
.props
import (StringProperty
,
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
19 # -----------------------------------------------------------------------------
23 class PANEL_PT_prepare(Panel
):
24 bl_label
= "Atomic Blender Utilities"
25 bl_space_type
= "VIEW_3D"
27 bl_options
= {'DEFAULT_CLOSED'}
28 bl_category
= "Create"
29 bl_idname
= "ATOMIC_PT_utilities"
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
35 def poll(cls
, context
):
36 pref
= context
.preferences
37 return pref
.addons
[__package__
].preferences
.bool_utility
39 def draw(self
, context
):
41 scn
= context
.scene
.atom_blend
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")
50 col
= box
.column(align
=True)
51 col
.label(text
="Measure distances")
52 col
.operator("atom_blend.button_distance")
53 col
.prop(scn
, "distance")
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")
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")
71 row
.operator("atom_blend.radius_all_smaller")
72 row
.operator("atom_blend.radius_all_bigger")
75 col
= box
.column(align
=True)
76 col
.label(text
="Change stick size")
77 col
.prop(scn
, "sticks_all")
79 row
.operator("atom_blend.sticks_all_smaller")
80 row
.operator("atom_blend.sticks_all_bigger")
83 col
= box
.column(align
=True)
84 col
.label(text
="Change atom shape")
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")
95 col
= box
.column(align
=True)
96 col
.label(text
="Separate atoms")
98 col3
.active
= (bpy
.context
.mode
== 'EDIT_MESH')
99 col3
.operator("atom_blend.separate_atom")
102 # The properties of buttons etc. in the panel.
103 class PanelProperties(bpy
.types
.PropertyGroup
):
105 def Callback_radius_type(self
, context
):
106 scn
= bpy
.context
.scene
.atom_blend
107 choose_objects("ATOM_RADIUS_TYPE",
111 scn
.radius_type_ionic
,
113 def Callback_radius_pm(self
, context
):
114 scn
= bpy
.context
.scene
.atom_blend
115 choose_objects("ATOM_RADIUS_PM",
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(
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)")),
156 replace_objs_material
: EnumProperty(
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")),
165 replace_objs_special
: EnumProperty(
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")),
173 radius_type
: EnumProperty(
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(
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")
212 # Button loading a custom data file
213 class DatafileApply(Operator
):
214 bl_idname
= "atom_blend.datafile_apply"
216 bl_description
= "Use color and radii values stored in the custom file"
218 def execute(self
, context
):
219 scn
= bpy
.context
.scene
.atom_blend
221 if scn
.datafile
== "":
224 custom_datafile(scn
.datafile
)
225 custom_datafile_change_atom_props()
230 # Button for separating single atoms from a dupliverts structure
231 class DefaultAtom(Operator
):
232 bl_idname
= "atom_blend.default_atoms"
234 bl_description
= ("Use default shapes and colors for atoms")
236 # Are we in the OBJECT mode?
238 def poll(self
, context
):
239 if bpy
.context
.mode
== 'OBJECT':
244 def execute(self
, context
):
245 scn
= bpy
.context
.scene
.atom_blend
246 choose_objects("ATOM_DEFAULT_OBJ",
255 # Button for separating single atoms from a dupliverts structure
256 class ReplaceAtom(Operator
):
257 bl_idname
= "atom_blend.replace_atom"
259 bl_description
= ("Replace selected atoms with atoms of different shape")
261 # Are we in the OBJECT mode?
263 def poll(self
, context
):
264 if bpy
.context
.mode
== 'OBJECT':
269 def execute(self
, context
):
270 scn
= bpy
.context
.scene
.atom_blend
271 choose_objects("ATOM_REPLACE_OBJ",
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'")
287 # Are we in the EDIT mode?
289 def poll(self
, context
):
290 if bpy
.context
.mode
== 'EDIT_MESH':
295 def execute(self
, context
):
296 scn
= bpy
.context
.scene
.atom_blend
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)"
309 def execute(self
, context
):
310 scn
= bpy
.context
.scene
.atom_blend
313 # Put the distance into the string of the output field.
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"
324 def execute(self
, context
):
325 scn
= bpy
.context
.scene
.atom_blend
326 choose_objects("ATOM_RADIUS_ALL",
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"
341 def execute(self
, context
):
342 scn
= bpy
.context
.scene
.atom_blend
343 choose_objects("ATOM_RADIUS_ALL",
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"
358 def execute(self
, context
):
359 scn
= bpy
.context
.scene
.atom_blend
360 choose_objects("STICKS_RADIUS_ALL",
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"
375 def execute(self
, context
):
376 scn
= bpy
.context
.scene
.atom_blend
377 choose_objects("STICKS_RADIUS_ALL",