The new ‘Atomic Blender PDB/XYZ’ importer. T62804
Comments ======== This is the fusion of the 3 atomic blender addons from Blender 2.79: 1. PDB (I/O addon for .pdb files, was in trunk before) 2. XYZ (I/O addon for .xyz files, was in contrib before) 3. Utilities (panel for modifying atomic structures, was in contrib before), into one single addon called ‘Atomic Blender PDB/XYZ’.
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# ##### BEGIN GPL LICENSE BLOCK #####
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#
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# This program is free software; you can redistribute it and/or
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# modify it under the terms of the GNU General Public License
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# as published by the Free Software Foundation; either version 2
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# of the License, or (at your option) any later version.
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#
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# This program is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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# You should have received a copy of the GNU General Public License
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# along with this program; if not, write to the Free Software Foundation,
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# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
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#
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# ##### END GPL LICENSE BLOCK #####
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#
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# Author : Clemens Barth (Blendphys@root-1.de)
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# Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php
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#
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# Start of project : 2011-08-31 by CB
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# First publication in Blender : 2011-11-11 by CB
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# Fusion of the PDB, XYZ and Panel : 2019-03-22 by CB
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# Last modified : 2019-03-28
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#
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# Contributing authors
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# ====================
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#
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# So far ... none ... .
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#
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#
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# Acknowledgements
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# ================
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#
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# A big thank you to all those people who I met in particular in the IRC and
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# who helped me a lot.
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#
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# Blender developers
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# ------------------
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# Campbell Barton (ideasman)
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# Brendon Murphy (meta_androcto)
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# Truman Melton (?) (truman)
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# Kilon Alios (kilon)
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# ?? (CoDEmanX)
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# Dima Glib (dairin0d)
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# Peter K.H. Gragert (PKHG)
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# Valter Battioli (?) (valter)
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# ? (atmind)
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# Ray Molenkamp (bzztploink)
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#
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# Other
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# -----
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# Frank Palmino (Femto-St institute, Belfort-Montbéliard, France)
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# ... for testing the addons and for feedback
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#
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bl_info = {
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"name": "Atomic Blender PDB/XYZ",
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"description": "Importing atoms listed in PDB or XYZ files as balls into Blender",
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"author": "Clemens Barth",
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"version": (1, 8),
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"blender": (2, 80, 0),
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"location": "File -> Import -> PDB (.pdb) and File -> Import -> XYZ (.xyz)",
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"warning": "",
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"wiki_url": "https://wiki.blender.org/",
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"category": "Import-Export",
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}
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import bpy
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from bpy.types import Operator, AddonPreferences
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from bpy_extras.io_utils import ImportHelper, ExportHelper
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from bpy.props import (
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StringProperty,
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BoolProperty,
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EnumProperty,
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IntProperty,
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FloatProperty,
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)
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from . import (
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pdb_gui,
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xyz_gui,
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utility_gui,
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utility_panel
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)
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# -----------------------------------------------------------------------------
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# Preferences
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class AddonPreferences(AddonPreferences):
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# This must match the addon name, use '__package__'
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# when defining this in a submodule of a python package.
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bl_idname = __name__
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bool_pdb = BoolProperty(
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name="PDB import/export",
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default=True,
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description="Import/export PDB",
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)
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bool_xyz = BoolProperty(
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name="XYZ import/export",
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default=True,
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description="Import/export XYZ",
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)
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# This boolean is checked in the poll function in PANEL_PT_prepare
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# (see utility.py).
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bool_utility = BoolProperty(
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name="Utility panel",
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default=False,
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description=("Panel with functionalities for modifying " \
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"atomic structures"),
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)
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def draw(self, context):
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layout = self.layout
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layout.label(text="Choose the importer(s) and a 'utility' panel")
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layout.prop(self, "bool_pdb")
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layout.prop(self, "bool_xyz")
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layout.prop(self, "bool_utility")
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# -----------------------------------------------------------------------------
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# Menu
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# The entry into the menu 'file -> import'
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def menu_func_import_pdb(self, context):
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lay = self.layout
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lay.operator(pdb_gui.IMPORT_OT_pdb.bl_idname,text="Protein Data Bank (.pdb)")
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def menu_func_import_xyz(self, context):
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lay = self.layout
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lay.operator(xyz_gui.IMPORT_OT_xyz.bl_idname,text="XYZ (.xyz)")
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# The entry into the menu 'file -> export'
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def menu_func_export_pdb(self, context):
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lay = self.layout
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lay.operator(pdb_gui.EXPORT_OT_pdb.bl_idname,text="Protein Data Bank (.pdb)")
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def menu_func_export_xyz(self, context):
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lay = self.layout
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lay.operator(xyz_gui.EXPORT_OT_xyz.bl_idname,text="XYZ (.xyz)")
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# -----------------------------------------------------------------------------
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# Register
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def register():
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from bpy.utils import register_class
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register_class(AddonPreferences)
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register_class(pdb_gui.IMPORT_OT_pdb)
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register_class(pdb_gui.EXPORT_OT_pdb)
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bpy.types.TOPBAR_MT_file_import.append(menu_func_import_pdb)
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bpy.types.TOPBAR_MT_file_export.append(menu_func_export_pdb)
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register_class(xyz_gui.IMPORT_OT_xyz)
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register_class(xyz_gui.EXPORT_OT_xyz)
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bpy.types.TOPBAR_MT_file_import.append(menu_func_import_xyz)
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bpy.types.TOPBAR_MT_file_export.append(menu_func_export_xyz)
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classes = (utility_gui.PANEL_PT_prepare,
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utility_gui.PanelProperties,
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utility_gui.DatafileApply,
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utility_gui.DefaultAtom,
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utility_gui.ReplaceAtom,
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utility_gui.SeparateAtom,
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utility_gui.DistanceButton,
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utility_gui.RadiusAllBiggerButton,
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utility_gui.RadiusAllSmallerButton,
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utility_gui.SticksAllBiggerButton,
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utility_gui.SticksAllSmallerButton)
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from bpy.utils import register_class
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utility_panel.read_elements()
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for cls in classes:
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register_class(cls)
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scene = bpy.types.Scene
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scene.atom_blend = bpy.props.PointerProperty(type=utility_gui.PanelProperties)
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def unregister():
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from bpy.utils import unregister_class
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unregister_class(AddonPreferences)
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unregister_class(pdb_gui.IMPORT_OT_pdb)
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unregister_class(pdb_gui.EXPORT_OT_pdb)
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bpy.types.TOPBAR_MT_file_import.remove(menu_func_import_pdb)
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bpy.types.TOPBAR_MT_file_export.remove(menu_func_export_pdb)
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unregister_class(xyz_gui.IMPORT_OT_xyz)
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unregister_class(xyz_gui.EXPORT_OT_xyz)
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bpy.types.TOPBAR_MT_file_import.remove(menu_func_import_xyz)
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bpy.types.TOPBAR_MT_file_export.remove(menu_func_export_xyz)
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classes = (utility_gui.PANEL_PT_prepare,
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utility_gui.PanelProperties,
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utility_gui.DatafileApply,
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utility_gui.DefaultAtom,
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utility_gui.ReplaceAtom,
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utility_gui.SeparateAtom,
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utility_gui.DistanceButton,
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utility_gui.RadiusAllBiggerButton,
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utility_gui.RadiusAllSmallerButton,
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utility_gui.SticksAllBiggerButton,
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utility_gui.SticksAllSmallerButton)
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for cls in classes:
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unregister_class(cls)
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# -----------------------------------------------------------------------------
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# Main
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if __name__ == "__main__":
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register()
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Load Diff
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# ##### BEGIN GPL LICENSE BLOCK #####
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#
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# This program is free software; you can redistribute it and/or
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# modify it under the terms of the GNU General Public License
|
||||
# as published by the Free Software Foundation; either version 2
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# of the License, or (at your option) any later version.
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#
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# This program is distributed in the hope that it will be useful,
|
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
|
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# 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,
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# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
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#
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# ##### END GPL LICENSE BLOCK #####
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import bpy
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from io_mesh_atomic.pdb_import import ELEMENTS_DEFAULT
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class AtomPropExport(object):
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__slots__ = ('element', 'location')
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def __init__(self, element, location):
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self.element = element
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self.location = location
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def export_pdb(obj_type, filepath_pdb):
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list_atoms = []
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for obj in bpy.context.selected_objects:
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if "STICK" in obj.name.upper():
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continue
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if obj.type not in {'MESH', 'SURFACE', 'META'}:
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continue
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name = ""
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for element in ELEMENTS_DEFAULT:
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if element[1] in obj.name:
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if element[2] == "Vac":
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name = "X"
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else:
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name = element[2]
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if name == "":
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if obj_type == "0":
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name = "?"
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else:
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continue
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if len(obj.children) != 0:
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for vertex in obj.data.vertices:
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location = obj.matrix_world @ vertex.co
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list_atoms.append(AtomPropExport(name, location))
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else:
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if not obj.parent:
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location = obj.location
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list_atoms.append(AtomPropExport(name, location))
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pdb_file_p = open(filepath_pdb, "w")
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pdb_file_p.write("REMARK This pdb file has been created with Blender "
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"and the addon Atomic Blender - PDB\n"
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"REMARK For more details see the wiki pages of Blender.\n"
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"REMARK\n"
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"REMARK\n")
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for i, atom in enumerate(list_atoms):
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string = "ATOM %6d%3s%24.3f%8.3f%8.3f%6.2f%6.2f%12s\n" % (
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i, atom.element,
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atom.location[0],
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atom.location[1],
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atom.location[2],
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1.00, 1.00, atom.element)
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pdb_file_p.write(string)
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pdb_file_p.close()
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return True
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# ##### BEGIN GPL LICENSE BLOCK #####
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#
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# This program is free software; you can redistribute it and/or
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# modify it under the terms of the GNU General Public License
|
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# as published by the Free Software Foundation; either version 2
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# of the License, or (at your option) any later version.
|
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#
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# This program is distributed in the hope that it will be useful,
|
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
|
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
|
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#
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# You should have received a copy of the GNU General Public License
|
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# along with this program; if not, write to the Free Software Foundation,
|
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# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
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#
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# ##### END GPL LICENSE BLOCK #####
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import bpy
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from bpy.types import Operator, AddonPreferences
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from bpy_extras.io_utils import ImportHelper, ExportHelper
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from bpy.props import (
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StringProperty,
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BoolProperty,
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EnumProperty,
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IntProperty,
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FloatProperty,
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)
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from io_mesh_atomic.pdb_import import import_pdb
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from io_mesh_atomic.pdb_export import export_pdb
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# -----------------------------------------------------------------------------
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# Operators
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# This is the class for the file dialog of the importer.
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class IMPORT_OT_pdb(Operator, ImportHelper):
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bl_idname = "import_mesh.pdb"
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bl_label = "Import Protein Data Bank(*.pdb)"
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bl_options = {'PRESET', 'UNDO'}
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filename_ext = ".pdb"
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filter_glob: StringProperty(default="*.pdb", options={'HIDDEN'},)
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use_center: BoolProperty(
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name = "Object to origin", default=True,
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description = "Put the object into the global origin")
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use_camera: BoolProperty(
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name="Camera", default=False,
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description="Do you need a camera?")
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use_light: BoolProperty(
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name="Lamp", default=False,
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description = "Do you need a lamp?")
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ball: EnumProperty(
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name="Type of ball",
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description="Choose ball",
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items=(('0', "NURBS", "NURBS balls"),
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('1', "Mesh" , "Mesh balls"),
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('2', "Meta" , "Metaballs")),
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default='0',)
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mesh_azimuth: IntProperty(
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name = "Azimuth", default=32, min=1,
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description = "Number of sectors (azimuth)")
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mesh_zenith: IntProperty(
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name = "Zenith", default=32, min=1,
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description = "Number of sectors (zenith)")
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scale_ballradius: FloatProperty(
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name = "Balls", default=1.0, min=0.0001,
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description = "Scale factor for all atom radii")
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scale_distances: FloatProperty (
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name = "Distances", default=1.0, min=0.0001,
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description = "Scale factor for all distances")
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atomradius: EnumProperty(
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name="Type",
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description="Choose type of atom radius",
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items=(('0', "Pre-defined", "Use pre-defined radius"),
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('1', "Atomic", "Use atomic radius"),
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('2', "van der Waals", "Use van der Waals radius")),
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default='0',)
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use_sticks: BoolProperty(
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name="Use sticks", default=True,
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description="Do you want to display the sticks?")
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use_sticks_type: EnumProperty(
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name="Type",
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description="Choose type of stick",
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items=(('0', "Dupliverts", "Use dupliverts structures"),
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('1', "Skin", "Use skin and subdivision modifier"),
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('2', "Normal", "Use simple cylinders")),
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default='0',)
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sticks_subdiv_view: IntProperty(
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name = "SubDivV", default=2, min=1,
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description="Number of subdivisions (view)")
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sticks_subdiv_render: IntProperty(
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name = "SubDivR", default=2, min=1,
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description="Number of subdivisions (render)")
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sticks_sectors: IntProperty(
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name = "Sector", default=20, min=1,
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description="Number of sectors of a stick")
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sticks_radius: FloatProperty(
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name = "Radius", default=0.2, min=0.0001,
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description ="Radius of a stick")
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sticks_unit_length: FloatProperty(
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name = "Unit", default=0.05, min=0.0001,
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description = "Length of the unit of a stick in Angstrom")
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use_sticks_color: BoolProperty(
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name="Color", default=True,
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description="The sticks appear in the color of the atoms")
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use_sticks_smooth: BoolProperty(
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name="Smooth", default=True,
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description="The sticks are round (sectors are not visible)")
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use_sticks_bonds: BoolProperty(
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name="Bonds", default=False,
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description="Show double and triple bonds")
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sticks_dist: FloatProperty(
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name="", default = 1.1, min=1.0, max=3.0,
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description="Distance between sticks measured in stick diameter")
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use_sticks_one_object: BoolProperty(
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name="One object", default=True,
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description="All sticks are one object")
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use_sticks_one_object_nr: IntProperty(
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name = "No.", default=200, min=10,
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description="Number of sticks to be grouped at once")
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datafile: StringProperty(
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name = "", description="Path to your custom data file",
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maxlen = 256, default = "", subtype='FILE_PATH')
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# This thing here just guarantees that the menu entry is not active when the
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# check box in the addon preferences is not activated! See __init__.py
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@classmethod
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def poll(cls, context):
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pref = context.preferences
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return pref.addons[__package__].preferences.bool_pdb
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def draw(self, context):
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layout = self.layout
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row = layout.row()
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row.prop(self, "use_camera")
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row.prop(self, "use_light")
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row = layout.row()
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row.prop(self, "use_center")
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# Balls
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||||
box = layout.box()
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||||
row = box.row()
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||||
row.label(text="Balls / atoms")
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||||
row = box.row()
|
||||
col = row.column()
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col.prop(self, "ball")
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row = box.row()
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||||
row.active = (self.ball == "1")
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col = row.column(align=True)
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col.prop(self, "mesh_azimuth")
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col.prop(self, "mesh_zenith")
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row = box.row()
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col = row.column()
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||||
col.label(text="Scaling factors")
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col = row.column(align=True)
|
||||
col.prop(self, "scale_ballradius")
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||||
col.prop(self, "scale_distances")
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row = box.row()
|
||||
row.prop(self, "atomradius")
|
||||
# Sticks
|
||||
box = layout.box()
|
||||
row = box.row()
|
||||
row.label(text="Sticks / bonds")
|
||||
row = box.row()
|
||||
row.prop(self, "use_sticks")
|
||||
row = box.row()
|
||||
row.active = self.use_sticks
|
||||
row.prop(self, "use_sticks_type")
|
||||
row = box.row()
|
||||
row.active = self.use_sticks
|
||||
col = row.column()
|
||||
if self.use_sticks_type == '0' or self.use_sticks_type == '2':
|
||||
col.prop(self, "sticks_sectors")
|
||||
col.prop(self, "sticks_radius")
|
||||
if self.use_sticks_type == '1':
|
||||
row = box.row()
|
||||
row.active = self.use_sticks
|
||||
row.prop(self, "sticks_subdiv_view")
|
||||
row.prop(self, "sticks_subdiv_render")
|
||||
row = box.row()
|
||||
row.active = self.use_sticks
|
||||
if self.use_sticks_type == '0':
|
||||
col.prop(self, "sticks_unit_length")
|
||||
col = row.column(align=True)
|
||||
if self.use_sticks_type == '0':
|
||||
col.prop(self, "use_sticks_color")
|
||||
col.prop(self, "use_sticks_smooth")
|
||||
if self.use_sticks_type == '0' or self.use_sticks_type == '2':
|
||||
col.prop(self, "use_sticks_bonds")
|
||||
row = box.row()
|
||||
if self.use_sticks_type == '0':
|
||||
row.active = self.use_sticks and self.use_sticks_bonds
|
||||
row.label(text="Distance")
|
||||
row.prop(self, "sticks_dist")
|
||||
if self.use_sticks_type == '2':
|
||||
row.active = self.use_sticks
|
||||
col = row.column()
|
||||
col.prop(self, "use_sticks_one_object")
|
||||
col = row.column()
|
||||
col.active = self.use_sticks_one_object
|
||||
col.prop(self, "use_sticks_one_object_nr")
|
||||
|
||||
|
||||
def execute(self, context):
|
||||
# This is in order to solve this strange 'relative path' thing.
|
||||
filepath_pdb = bpy.path.abspath(self.filepath)
|
||||
|
||||
# Execute main routine
|
||||
import_pdb(self.ball,
|
||||
self.mesh_azimuth,
|
||||
self.mesh_zenith,
|
||||
self.scale_ballradius,
|
||||
self.atomradius,
|
||||
self.scale_distances,
|
||||
self.use_sticks,
|
||||
self.use_sticks_type,
|
||||
self.sticks_subdiv_view,
|
||||
self.sticks_subdiv_render,
|
||||
self.use_sticks_color,
|
||||
self.use_sticks_smooth,
|
||||
self.use_sticks_bonds,
|
||||
self.use_sticks_one_object,
|
||||
self.use_sticks_one_object_nr,
|
||||
self.sticks_unit_length,
|
||||
self.sticks_dist,
|
||||
self.sticks_sectors,
|
||||
self.sticks_radius,
|
||||
self.use_center,
|
||||
self.use_camera,
|
||||
self.use_light,
|
||||
filepath_pdb)
|
||||
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# This is the class for the file dialog of the exporter.
|
||||
class EXPORT_OT_pdb(Operator, ExportHelper):
|
||||
bl_idname = "export_mesh.pdb"
|
||||
bl_label = "Export Protein Data Bank(*.pdb)"
|
||||
filename_ext = ".pdb"
|
||||
|
||||
filter_glob: StringProperty(
|
||||
default="*.pdb", options={'HIDDEN'},)
|
||||
|
||||
atom_pdb_export_type: EnumProperty(
|
||||
name="Type of Objects",
|
||||
description="Choose type of objects",
|
||||
items=(('0', "All", "Export all active objects"),
|
||||
('1', "Elements", "Export only those active objects which have"
|
||||
" a proper element name")),
|
||||
default='1',)
|
||||
|
||||
# This thing here just guarantees that the menu entry is not active when the
|
||||
# check box in the addon preferences is not activated! See __init__.py
|
||||
@classmethod
|
||||
def poll(cls, context):
|
||||
pref = context.preferences
|
||||
return pref.addons[__package__].preferences.bool_pdb
|
||||
|
||||
def draw(self, context):
|
||||
layout = self.layout
|
||||
row = layout.row()
|
||||
row.prop(self, "atom_pdb_export_type")
|
||||
|
||||
def execute(self, context):
|
||||
export_pdb(self.atom_pdb_export_type,
|
||||
bpy.path.abspath(self.filepath))
|
||||
|
||||
return {'FINISHED'}
|
File diff suppressed because it is too large
Load Diff
|
@ -0,0 +1,422 @@
|
|||
# ##### 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 #####
|
||||
|
||||
import bpy
|
||||
from bpy.types import Operator, Panel
|
||||
from bpy.props import (StringProperty,
|
||||
EnumProperty,
|
||||
FloatProperty,
|
||||
BoolProperty)
|
||||
|
||||
from io_mesh_atomic.utility_panel import choose_objects
|
||||
from io_mesh_atomic.utility_panel import custom_datafile
|
||||
from io_mesh_atomic.utility_panel import custom_datafile_change_atom_props
|
||||
from io_mesh_atomic.utility_panel import separate_atoms
|
||||
from io_mesh_atomic.utility_panel import distance
|
||||
|
||||
|
||||
# -----------------------------------------------------------------------------
|
||||
# GUI
|
||||
|
||||
# The panel.
|
||||
class PANEL_PT_prepare(Panel):
|
||||
bl_label = "Atomic Blender Utilities"
|
||||
bl_space_type = "VIEW_3D"
|
||||
bl_region_type = "UI"
|
||||
bl_options = {'DEFAULT_CLOSED'}
|
||||
bl_context = "objectmode"
|
||||
bl_category = "Tools"
|
||||
bl_idname = "ATOMIC_PT_utilities"
|
||||
|
||||
|
||||
# This thing here just guarantees that the panel is NOT opened when the
|
||||
# check box in the addon preferences is not activated! See __init__.py
|
||||
@classmethod
|
||||
def poll(cls, context):
|
||||
pref = context.preferences
|
||||
return pref.addons[__package__].preferences.bool_utility
|
||||
|
||||
def draw(self, context):
|
||||
layout = self.layout
|
||||
scn = context.scene.atom_blend
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Custom data file")
|
||||
col.prop(scn, "datafile")
|
||||
col.operator("atom_blend.datafile_apply")
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Measure distances")
|
||||
col.operator("atom_blend.button_distance")
|
||||
col.prop(scn, "distance")
|
||||
|
||||
# This is from Blender 2.79 and does not work in 2.80. However, it
|
||||
# might be useful later on if changed.
|
||||
#
|
||||
#box = layout.box()
|
||||
#col = box.column(align=True)
|
||||
#col.label(text="All changes concern:")
|
||||
#col.prop(scn, "action_type")
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Change atom size")
|
||||
col.label(text="1. Type of radii")
|
||||
col.prop(scn, "radius_type")
|
||||
col2 = col.column()
|
||||
col2.active = (scn.radius_type == '3')
|
||||
col2.prop(scn, "radius_type_ionic")
|
||||
col = box.column(align=True)
|
||||
col.label(text="2. Radii in pm")
|
||||
col.prop(scn, "radius_pm_name")
|
||||
col.prop(scn, "radius_pm")
|
||||
col = box.column(align=True)
|
||||
col.label(text="3. Radii by scale")
|
||||
col.prop(scn, "radius_all")
|
||||
row = col.row()
|
||||
row.operator("atom_blend.radius_all_smaller")
|
||||
row.operator("atom_blend.radius_all_bigger")
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Change stick size")
|
||||
col.prop(scn, "sticks_all")
|
||||
row = col.row()
|
||||
row.operator("atom_blend.sticks_all_smaller")
|
||||
row.operator("atom_blend.sticks_all_bigger")
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Change atom shape")
|
||||
col2 = col.column()
|
||||
col2.active = (scn.replace_objs_special == '0')
|
||||
col2.prop(scn, "replace_objs")
|
||||
col2.prop(scn, "replace_objs_material")
|
||||
col.prop(scn, "replace_objs_special")
|
||||
col.operator("atom_blend.replace_atom")
|
||||
col.label(text="Default values")
|
||||
col.operator("atom_blend.default_atoms")
|
||||
|
||||
box = layout.box()
|
||||
col = box.column(align=True)
|
||||
col.label(text="Separate atoms")
|
||||
col3 = col.column()
|
||||
col3.active = (bpy.context.mode == 'EDIT_MESH')
|
||||
col3.operator("atom_blend.separate_atom")
|
||||
|
||||
|
||||
# The properties of buttons etc. in the panel.
|
||||
class PanelProperties(bpy.types.PropertyGroup):
|
||||
|
||||
def Callback_radius_type(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_RADIUS_TYPE",
|
||||
scn.action_type,
|
||||
None,
|
||||
None,
|
||||
scn.radius_type,
|
||||
scn.radius_type_ionic,
|
||||
None)
|
||||
def Callback_radius_pm(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_RADIUS_PM",
|
||||
scn.action_type,
|
||||
None,
|
||||
[scn.radius_pm_name,
|
||||
scn.radius_pm],
|
||||
None,
|
||||
None,
|
||||
None)
|
||||
|
||||
datafile: StringProperty(
|
||||
name = "", description="Path to your custom data file",
|
||||
maxlen = 256, default = "", subtype='FILE_PATH')
|
||||
XYZ_file: StringProperty(
|
||||
name = "Path to file", default="",
|
||||
description = "Path of the XYZ file")
|
||||
number_atoms: StringProperty(name="",
|
||||
default="Number", description = "This output shows "
|
||||
"the number of atoms which have been loaded")
|
||||
distance: StringProperty(
|
||||
name="", default="Distance (A)",
|
||||
description="Distance of 2 objects in Angstrom")
|
||||
replace_objs: EnumProperty(
|
||||
name="Shape",
|
||||
description="Choose a different atom shape.",
|
||||
items=(('0',"Unchanged", "Do not change the shape"),
|
||||
('1a',"Sphere (Mesh)", "Replace with a sphere (Mesh)"),
|
||||
('1b',"Sphere (NURBS)", "Replace with a sphere (NURBS)"),
|
||||
('2',"Cube", "Replace with a cube"),
|
||||
('3',"Plane", "Replace with a plane"),
|
||||
('4a',"Circle (Mesh)", "Replace with a circle (Mesh)"),
|
||||
('4b',"Circle (NURBS)", "Replace with a circle (NURBS)"),
|
||||
('5a',"Icosphere 1", "Replace with a icosphere, subd=1"),
|
||||
('5b',"Icosphere 2", "Replace with a icosphere, subd=2"),
|
||||
('5c',"Icosphere 3", "Replace with a icosphere, subd=3"),
|
||||
('5d',"Icosphere 4", "Replace with a icosphere, subd=4"),
|
||||
('5e',"Icosphere 5", "Replace with a icosphere, subd=5"),
|
||||
('6a',"Cylinder (Mesh)", "Replace with a cylinder (Mesh)"),
|
||||
('6b',"Cylinder (NURBS)", "Replace with a cylinder (NURBS)"),
|
||||
('7',"Cone", "Replace with a cone"),
|
||||
('8a',"Torus (Mesh)", "Replace with a torus (Mesh)"),
|
||||
('8b',"Torus (NURBS)", "Replace with a torus (NURBS)")),
|
||||
default='0',)
|
||||
replace_objs_material: EnumProperty(
|
||||
name="Material",
|
||||
description="Choose a different material.",
|
||||
items=(('0',"Unchanged", "Leave the material unchanged"),
|
||||
('1',"Normal", "Use normal material (no transparency and reflection)"),
|
||||
('2',"Transparent", "Use transparent material"),
|
||||
('3',"Reflecting", "Use reflecting material"),
|
||||
('4',"Transparent + reflecting", "Use transparent and reflecting material")),
|
||||
default='0',)
|
||||
replace_objs_special: EnumProperty(
|
||||
name="Special",
|
||||
description="Choose a special atom shape.",
|
||||
items=(('0',"None", "Use no special shape."),
|
||||
('1',"F2+ center", "Replace with a F2+ center"),
|
||||
('2',"F+ center", "Replace with a F+ center"),
|
||||
('3',"F0 center", "Replace with a F0 center")),
|
||||
default='0',)
|
||||
action_type: EnumProperty(
|
||||
name="",
|
||||
description="Which objects shall be modified?",
|
||||
items=(('ALL_ACTIVE',"all active objects", "in the current layer"),
|
||||
('ALL_IN_LAYER',"all in all selected layers",
|
||||
"in selected 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"),
|
||||
('3',"ionic radii", "Use ionic radii")),
|
||||
default='0',update=Callback_radius_type)
|
||||
radius_type_ionic: EnumProperty(
|
||||
name="Charge",
|
||||
description="Charge state of the ions if existing.",
|
||||
items=(('0',"-4", "Charge state -4"),
|
||||
('1',"-3", "Charge state -3"),
|
||||
('2',"-2", "Charge state -2"),
|
||||
('3',"-1", "Charge state -1"),
|
||||
('4'," 0", "Charge state 0: nothing is done"),
|
||||
('5',"+1", "Charge state +1"),
|
||||
('6',"+2", "Charge state +2"),
|
||||
('7',"+3", "Charge state +3"),
|
||||
('8',"+4", "Charge state +4"),
|
||||
('9',"+5", "Charge state +5"),
|
||||
('10',"+6", "Charge state +6"),
|
||||
('11',"+7", "Charge state +7")),
|
||||
default='4',update=Callback_radius_type)
|
||||
radius_pm_name: StringProperty(
|
||||
name="", default="Atom name",
|
||||
description="Put in the name of the atom (e.g. Hydrogen)")
|
||||
radius_pm: FloatProperty(
|
||||
name="", default=100.0, min=0.0,
|
||||
description="Put in the radius of the atom (in pm)",
|
||||
update=Callback_radius_pm)
|
||||
radius_all: FloatProperty(
|
||||
name="Scale", default = 1.05, min=1.0, max=5.0,
|
||||
description="Put in the scale factor")
|
||||
sticks_all: FloatProperty(
|
||||
name="Scale", default = 1.05, min=1.0, max=5.0,
|
||||
description="Put in the scale factor")
|
||||
|
||||
|
||||
# Button loading a custom data file
|
||||
class DatafileApply(Operator):
|
||||
bl_idname = "atom_blend.datafile_apply"
|
||||
bl_label = "Apply"
|
||||
bl_description = "Use color and radii values stored in the custom file"
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
|
||||
if scn.datafile == "":
|
||||
return {'FINISHED'}
|
||||
|
||||
custom_datafile(scn.datafile)
|
||||
custom_datafile_change_atom_props()
|
||||
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for separating single atoms from a dupliverts structure
|
||||
class DefaultAtom(Operator):
|
||||
bl_idname = "atom_blend.default_atoms"
|
||||
bl_label = "Default"
|
||||
bl_description = ("Use default shapes and colors for atoms.")
|
||||
|
||||
# Are we in the OBJECT mode?
|
||||
@classmethod
|
||||
def poll(self, context):
|
||||
if bpy.context.mode == 'OBJECT':
|
||||
return True
|
||||
else:
|
||||
return False
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_DEFAULT_OBJ",
|
||||
scn.action_type,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None)
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for separating single atoms from a dupliverts structure
|
||||
class ReplaceAtom(Operator):
|
||||
bl_idname = "atom_blend.replace_atom"
|
||||
bl_label = "Replace"
|
||||
bl_description = ("Replace selected atoms with atoms of different shape.")
|
||||
|
||||
# Are we in the OBJECT mode?
|
||||
@classmethod
|
||||
def poll(self, context):
|
||||
if bpy.context.mode == 'OBJECT':
|
||||
return True
|
||||
else:
|
||||
return False
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_REPLACE_OBJ",
|
||||
scn.action_type,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None)
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for separating single atoms from a dupliverts structure
|
||||
class SeparateAtom(Operator):
|
||||
bl_idname = "atom_blend.separate_atom"
|
||||
bl_label = "Separate"
|
||||
bl_description = ("Separate selected atoms in a dupliverts structure. "
|
||||
"You have to be in the 'Edit Mode'")
|
||||
|
||||
# Are we in the EDIT mode?
|
||||
@classmethod
|
||||
def poll(self, context):
|
||||
if bpy.context.mode == 'EDIT_MESH':
|
||||
return True
|
||||
else:
|
||||
return False
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
|
||||
separate_atoms(scn)
|
||||
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for measuring the distance of active objects
|
||||
class DistanceButton(Operator):
|
||||
bl_idname = "atom_blend.button_distance"
|
||||
bl_label = "Measure ..."
|
||||
bl_description = "Measure the distance between two atoms (objects)."
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
dist = distance()
|
||||
|
||||
# Put the distance into the string of the output field.
|
||||
scn.distance = dist
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for increasing the radii of all selected atoms
|
||||
class RadiusAllBiggerButton(Operator):
|
||||
bl_idname = "atom_blend.radius_all_bigger"
|
||||
bl_label = "Bigger ..."
|
||||
bl_description = "Increase the radii of selected atoms"
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_RADIUS_ALL",
|
||||
scn.action_type,
|
||||
scn.radius_all,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None)
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for decreasing the radii of all selected atoms
|
||||
class RadiusAllSmallerButton(Operator):
|
||||
bl_idname = "atom_blend.radius_all_smaller"
|
||||
bl_label = "Smaller ..."
|
||||
bl_description = "Decrease the radii of selected atoms"
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("ATOM_RADIUS_ALL",
|
||||
scn.action_type,
|
||||
1.0/scn.radius_all,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None)
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for increasing the radii of all selected sticks
|
||||
class SticksAllBiggerButton(Operator):
|
||||
bl_idname = "atom_blend.sticks_all_bigger"
|
||||
bl_label = "Bigger ..."
|
||||
bl_description = "Increase the radii of selected sticks"
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("STICKS_RADIUS_ALL",
|
||||
scn.action_type,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
scn.sticks_all)
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# Button for decreasing the radii of all selected sticks
|
||||
class SticksAllSmallerButton(Operator):
|
||||
bl_idname = "atom_blend.sticks_all_smaller"
|
||||
bl_label = "Smaller ..."
|
||||
bl_description = "Decrease the radii of selected sticks"
|
||||
|
||||
def execute(self, context):
|
||||
scn = bpy.context.scene.atom_blend
|
||||
choose_objects("STICKS_RADIUS_ALL",
|
||||
scn.action_type,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
None,
|
||||
1.0/scn.sticks_all)
|
||||
return {'FINISHED'}
|
||||
|
File diff suppressed because it is too large
Load Diff
|
@ -0,0 +1,83 @@
|
|||
# ##### 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 #####
|
||||
|
||||
import bpy
|
||||
from io_mesh_atomic.xyz_import import ELEMENTS_DEFAULT
|
||||
|
||||
|
||||
class AtomsExport(object):
|
||||
__slots__ = ('element', 'location')
|
||||
def __init__(self, element, location):
|
||||
self.element = element
|
||||
self.location = location
|
||||
|
||||
|
||||
def export_xyz(obj_type, filepath_xyz):
|
||||
|
||||
list_atoms = []
|
||||
counter = 0
|
||||
for obj in bpy.context.selected_objects:
|
||||
|
||||
if "STICK" in obj.name.upper():
|
||||
continue
|
||||
|
||||
if obj.type not in {'MESH', 'SURFACE', 'META'}:
|
||||
continue
|
||||
|
||||
name = ""
|
||||
for element in ELEMENTS_DEFAULT:
|
||||
if element[1] in obj.name:
|
||||
if element[2] == "Vac":
|
||||
name = "X"
|
||||
else:
|
||||
name = element[2]
|
||||
|
||||
if name == "":
|
||||
if obj_type == "0":
|
||||
name = "?"
|
||||
else:
|
||||
continue
|
||||
|
||||
if len(obj.children) != 0:
|
||||
for vertex in obj.data.vertices:
|
||||
location = obj.matrix_world @ vertex.co
|
||||
list_atoms.append(AtomsExport(name, location))
|
||||
counter += 1
|
||||
else:
|
||||
if not obj.parent:
|
||||
location = obj.location
|
||||
list_atoms.append(AtomsExport(name, location))
|
||||
counter += 1
|
||||
|
||||
xyz_file_p = open(filepath_xyz, "w")
|
||||
xyz_file_p.write("%d\n" % counter)
|
||||
xyz_file_p.write("This XYZ file has been created with Blender "
|
||||
"and the addon Atomic Blender - XYZ. "
|
||||
"For more details see the wiki pages of Blender.\n")
|
||||
|
||||
for i, atom in enumerate(list_atoms):
|
||||
string = "%3s%15.5f%15.5f%15.5f\n" % (
|
||||
atom.element,
|
||||
atom.location[0],
|
||||
atom.location[1],
|
||||
atom.location[2])
|
||||
xyz_file_p.write(string)
|
||||
|
||||
xyz_file_p.close()
|
||||
|
||||
return True
|
|
@ -0,0 +1,210 @@
|
|||
# ##### 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 #####
|
||||
|
||||
import bpy
|
||||
from bpy.types import Operator, AddonPreferences
|
||||
from bpy_extras.io_utils import ImportHelper, ExportHelper
|
||||
from bpy.props import (
|
||||
StringProperty,
|
||||
BoolProperty,
|
||||
EnumProperty,
|
||||
IntProperty,
|
||||
FloatProperty,
|
||||
)
|
||||
|
||||
from io_mesh_atomic.xyz_import import import_xyz
|
||||
from io_mesh_atomic.xyz_import import ALL_FRAMES
|
||||
from io_mesh_atomic.xyz_import import ELEMENTS
|
||||
from io_mesh_atomic.xyz_import import STRUCTURE
|
||||
from io_mesh_atomic.xyz_import import build_frames
|
||||
from io_mesh_atomic.xyz_export import export_xyz
|
||||
|
||||
# -----------------------------------------------------------------------------
|
||||
# Operators
|
||||
|
||||
# This is the class for the file dialog.
|
||||
class IMPORT_OT_xyz(Operator, ImportHelper):
|
||||
bl_idname = "import_mesh.xyz"
|
||||
bl_label = "Import XYZ (*.xyz)"
|
||||
bl_options = {'PRESET', 'UNDO'}
|
||||
|
||||
filename_ext = ".xyz"
|
||||
filter_glob: StringProperty(default="*.xyz", options={'HIDDEN'},)
|
||||
|
||||
use_camera: BoolProperty(
|
||||
name="Camera", default=False,
|
||||
description="Do you need a camera?")
|
||||
use_lamp: BoolProperty(
|
||||
name="Lamp", default=False,
|
||||
description = "Do you need a lamp?")
|
||||
ball: EnumProperty(
|
||||
name="Type of ball",
|
||||
description="Choose ball",
|
||||
items=(('0', "NURBS", "NURBS balls"),
|
||||
('1', "Mesh" , "Mesh balls"),
|
||||
('2', "Meta" , "Metaballs")),
|
||||
default='0',)
|
||||
mesh_azimuth: IntProperty(
|
||||
name = "Azimuth", default=32, min=1,
|
||||
description = "Number of sectors (azimuth)")
|
||||
mesh_zenith: IntProperty(
|
||||
name = "Zenith", default=32, min=1,
|
||||
description = "Number of sectors (zenith)")
|
||||
scale_ballradius: FloatProperty(
|
||||
name = "Balls", default=1.0, min=0.0001,
|
||||
description = "Scale factor for all atom radii")
|
||||
scale_distances: FloatProperty (
|
||||
name = "Distances", default=1.0, min=0.0001,
|
||||
description = "Scale factor for all distances")
|
||||
atomradius: EnumProperty(
|
||||
name="Type of radius",
|
||||
description="Choose type of atom radius",
|
||||
items=(('0', "Pre-defined", "Use pre-defined radius"),
|
||||
('1', "Atomic", "Use atomic radius"),
|
||||
('2', "van der Waals", "Use van der Waals radius")),
|
||||
default='0',)
|
||||
use_center: BoolProperty(
|
||||
name = "Object to origin (first frames)", default=False,
|
||||
description = "Put the object into the global origin, the first frame only")
|
||||
use_center_all: BoolProperty(
|
||||
name = "Object to origin (all frames)", default=True,
|
||||
description = "Put the object into the global origin, all frames")
|
||||
datafile: StringProperty(
|
||||
name = "", description="Path to your custom data file",
|
||||
maxlen = 256, default = "", subtype='FILE_PATH')
|
||||
use_frames: BoolProperty(
|
||||
name = "Load all frames?", default=False,
|
||||
description = "Do you want to load all frames?")
|
||||
skip_frames: IntProperty(
|
||||
name="", default=0, min=0,
|
||||
description="Number of frames you want to skip.")
|
||||
images_per_key: IntProperty(
|
||||
name="", default=1, min=1,
|
||||
description="Choose the number of images between 2 keys.")
|
||||
|
||||
# This thing here just guarantees that the menu entry is not active when the
|
||||
# check box in the addon preferences is not activated! See __init__.py
|
||||
@classmethod
|
||||
def poll(cls, context):
|
||||
pref = context.preferences
|
||||
return pref.addons[__package__].preferences.bool_xyz
|
||||
|
||||
def draw(self, context):
|
||||
layout = self.layout
|
||||
row = layout.row()
|
||||
row.prop(self, "use_camera")
|
||||
row.prop(self, "use_lamp")
|
||||
row = layout.row()
|
||||
col = row.column()
|
||||
col.prop(self, "ball")
|
||||
row = layout.row()
|
||||
row.active = (self.ball == "1")
|
||||
col = row.column(align=True)
|
||||
col.prop(self, "mesh_azimuth")
|
||||
col.prop(self, "mesh_zenith")
|
||||
row = layout.row()
|
||||
col = row.column()
|
||||
col.label(text="Scaling factors")
|
||||
col = row.column(align=True)
|
||||
col.prop(self, "scale_ballradius")
|
||||
col.prop(self, "scale_distances")
|
||||
row = layout.row()
|
||||
row.prop(self, "use_center")
|
||||
row = layout.row()
|
||||
row.prop(self, "use_center_all")
|
||||
row = layout.row()
|
||||
row.prop(self, "atomradius")
|
||||
|
||||
row = layout.row()
|
||||
row.prop(self, "use_frames")
|
||||
row = layout.row()
|
||||
row.active = self.use_frames
|
||||
col = row.column()
|
||||
col.label(text="Skip frames")
|
||||
col = row.column()
|
||||
col.prop(self, "skip_frames")
|
||||
row = layout.row()
|
||||
row.active = self.use_frames
|
||||
col = row.column()
|
||||
col.label(text="Frames/key")
|
||||
col = row.column()
|
||||
col.prop(self, "images_per_key")
|
||||
|
||||
def execute(self, context):
|
||||
|
||||
del ALL_FRAMES[:]
|
||||
del ELEMENTS[:]
|
||||
del STRUCTURE[:]
|
||||
|
||||
# This is to determine the path.
|
||||
filepath_xyz = bpy.path.abspath(self.filepath)
|
||||
|
||||
# Execute main routine
|
||||
import_xyz(self.ball,
|
||||
self.mesh_azimuth,
|
||||
self.mesh_zenith,
|
||||
self.scale_ballradius,
|
||||
self.atomradius,
|
||||
self.scale_distances,
|
||||
self.use_center,
|
||||
self.use_center_all,
|
||||
self.use_camera,
|
||||
self.use_lamp,
|
||||
filepath_xyz)
|
||||
|
||||
# Load frames
|
||||
if len(ALL_FRAMES) > 1 and self.use_frames:
|
||||
|
||||
build_frames(self.images_per_key, self.skip_frames)
|
||||
|
||||
return {'FINISHED'}
|
||||
|
||||
|
||||
# This is the class for the file dialog of the exporter.
|
||||
class EXPORT_OT_xyz(Operator, ExportHelper):
|
||||
bl_idname = "export_mesh.xyz"
|
||||
bl_label = "Export XYZ (*.xyz)"
|
||||
filename_ext = ".xyz"
|
||||
|
||||
filter_glob: StringProperty(
|
||||
default="*.xyz", options={'HIDDEN'},)
|
||||
|
||||
atom_xyz_export_type: EnumProperty(
|
||||
name="Type of Objects",
|
||||
description="Choose type of objects",
|
||||
items=(('0', "All", "Export all active objects"),
|
||||
('1', "Elements", "Export only those active objects which have"
|
||||
" a proper element name")),
|
||||
default='1',)
|
||||
|
||||
# This thing here just guarantees that the menu entry is not active when the
|
||||
# check box in the addon preferences is not activated! See __init__.py
|
||||
@classmethod
|
||||
def poll(cls, context):
|
||||
pref = context.preferences
|
||||
return pref.addons[__package__].preferences.bool_xyz
|
||||
|
||||
def draw(self, context):
|
||||
layout = self.layout
|
||||
row = layout.row()
|
||||
row.prop(self, "atom_xyz_export_type")
|
||||
|
||||
def execute(self, context):
|
||||
export_xyz(self.atom_xyz_export_type, bpy.path.abspath(self.filepath))
|
||||
|
||||
return {'FINISHED'}
|
|
@ -0,0 +1,810 @@
|
|||
# ##### 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 #####
|
||||
|
||||
import os
|
||||
import bpy
|
||||
from math import pi, sqrt
|
||||
from mathutils import Vector, Matrix
|
||||
|
||||
# -----------------------------------------------------------------------------
|
||||
# Atom and element data
|
||||
|
||||
|
||||
# This is a list that contains some data of all possible elements. The structure
|
||||
# is as follows:
|
||||
#
|
||||
# 1, "Hydrogen", "H", [0.0,0.0,1.0], 0.32, 0.32, 0.32 , -1 , 1.54 means
|
||||
#
|
||||
# No., name, short name, color, radius (used), radius (covalent), radius (atomic),
|
||||
#
|
||||
# charge state 1, radius (ionic) 1, charge state 2, radius (ionic) 2, ... all
|
||||
# charge states for any atom are listed, if existing.
|
||||
# The list is fixed and cannot be changed ... (see below)
|
||||
|
||||
ELEMENTS_DEFAULT = (
|
||||
( 1, "Hydrogen", "H", ( 1.0, 1.0, 1.0, 1.0), 0.32, 0.32, 0.79 , -1 , 1.54 ),
|
||||
( 2, "Helium", "He", ( 0.85, 1.0, 1.0, 1.0), 0.93, 0.93, 0.49 ),
|
||||
( 3, "Lithium", "Li", ( 0.8, 0.50, 1.0, 1.0), 1.23, 1.23, 2.05 , 1 , 0.68 ),
|
||||
( 4, "Beryllium", "Be", ( 0.76, 1.0, 0.0, 1.0), 0.90, 0.90, 1.40 , 1 , 0.44 , 2 , 0.35 ),
|
||||
( 5, "Boron", "B", ( 1.0, 0.70, 0.70, 1.0), 0.82, 0.82, 1.17 , 1 , 0.35 , 3 , 0.23 ),
|
||||
( 6, "Carbon", "C", ( 0.56, 0.56, 0.56, 1.0), 0.77, 0.77, 0.91 , -4 , 2.60 , 4 , 0.16 ),
|
||||
( 7, "Nitrogen", "N", ( 0.18, 0.31, 0.97, 1.0), 0.75, 0.75, 0.75 , -3 , 1.71 , 1 , 0.25 , 3 , 0.16 , 5 , 0.13 ),
|
||||
( 8, "Oxygen", "O", ( 1.0, 0.05, 0.05, 1.0), 0.73, 0.73, 0.65 , -2 , 1.32 , -1 , 1.76 , 1 , 0.22 , 6 , 0.09 ),
|
||||
( 9, "Fluorine", "F", ( 0.56, 0.87, 0.31, 1.0), 0.72, 0.72, 0.57 , -1 , 1.33 , 7 , 0.08 ),
|
||||
(10, "Neon", "Ne", ( 0.70, 0.89, 0.96, 1.0), 0.71, 0.71, 0.51 , 1 , 1.12 ),
|
||||
(11, "Sodium", "Na", ( 0.67, 0.36, 0.94, 1.0), 1.54, 1.54, 2.23 , 1 , 0.97 ),
|
||||
(12, "Magnesium", "Mg", ( 0.54, 1.0, 0.0, 1.0), 1.36, 1.36, 1.72 , 1 , 0.82 , 2 , 0.66 ),
|
||||
(13, "Aluminium", "Al", ( 0.74, 0.65, 0.65, 1.0), 1.18, 1.18, 1.82 , 3 , 0.51 ),
|
||||
(14, "Silicon", "Si", ( 0.94, 0.78, 0.62, 1.0), 1.11, 1.11, 1.46 , -4 , 2.71 , -1 , 3.84 , 1 , 0.65 , 4 , 0.42 ),
|
||||
(15, "Phosphorus", "P", ( 1.0, 0.50, 0.0, 1.0), 1.06, 1.06, 1.23 , -3 , 2.12 , 3 , 0.44 , 5 , 0.35 ),
|
||||
(16, "Sulfur", "S", ( 1.0, 1.0, 0.18, 1.0), 1.02, 1.02, 1.09 , -2 , 1.84 , 2 , 2.19 , 4 , 0.37 , 6 , 0.30 ),
|
||||
(17, "Chlorine", "Cl", ( 0.12, 0.94, 0.12, 1.0), 0.99, 0.99, 0.97 , -1 , 1.81 , 5 , 0.34 , 7 , 0.27 ),
|
||||
(18, "Argon", "Ar", ( 0.50, 0.81, 0.89, 1.0), 0.98, 0.98, 0.88 , 1 , 1.54 ),
|
||||
(19, "Potassium", "K", ( 0.56, 0.25, 0.83, 1.0), 2.03, 2.03, 2.77 , 1 , 0.81 ),
|
||||
(20, "Calcium", "Ca", ( 0.23, 1.0, 0.0, 1.0), 1.74, 1.74, 2.23 , 1 , 1.18 , 2 , 0.99 ),
|
||||
(21, "Scandium", "Sc", ( 0.90, 0.90, 0.90, 1.0), 1.44, 1.44, 2.09 , 3 , 0.73 ),
|
||||
(22, "Titanium", "Ti", ( 0.74, 0.76, 0.78, 1.0), 1.32, 1.32, 2.00 , 1 , 0.96 , 2 , 0.94 , 3 , 0.76 , 4 , 0.68 ),
|
||||
(23, "Vanadium", "V", ( 0.65, 0.65, 0.67, 1.0), 1.22, 1.22, 1.92 , 2 , 0.88 , 3 , 0.74 , 4 , 0.63 , 5 , 0.59 ),
|
||||
(24, "Chromium", "Cr", ( 0.54, 0.6, 0.78, 1.0), 1.18, 1.18, 1.85 , 1 , 0.81 , 2 , 0.89 , 3 , 0.63 , 6 , 0.52 ),
|
||||
(25, "Manganese", "Mn", ( 0.61, 0.47, 0.78, 1.0), 1.17, 1.17, 1.79 , 2 , 0.80 , 3 , 0.66 , 4 , 0.60 , 7 , 0.46 ),
|
||||
(26, "Iron", "Fe", ( 0.87, 0.4, 0.2, 1.0), 1.17, 1.17, 1.72 , 2 , 0.74 , 3 , 0.64 ),
|
||||
(27, "Cobalt", "Co", ( 0.94, 0.56, 0.62, 1.0), 1.16, 1.16, 1.67 , 2 , 0.72 , 3 , 0.63 ),
|
||||
(28, "Nickel", "Ni", ( 0.31, 0.81, 0.31, 1.0), 1.15, 1.15, 1.62 , 2 , 0.69 ),
|
||||
(29, "Copper", "Cu", ( 0.78, 0.50, 0.2, 1.0), 1.17, 1.17, 1.57 , 1 , 0.96 , 2 , 0.72 ),
|
||||
(30, "Zinc", "Zn", ( 0.49, 0.50, 0.69, 1.0), 1.25, 1.25, 1.53 , 1 , 0.88 , 2 , 0.74 ),
|
||||
(31, "Gallium", "Ga", ( 0.76, 0.56, 0.56, 1.0), 1.26, 1.26, 1.81 , 1 , 0.81 , 3 , 0.62 ),
|
||||
(32, "Germanium", "Ge", ( 0.4, 0.56, 0.56, 1.0), 1.22, 1.22, 1.52 , -4 , 2.72 , 2 , 0.73 , 4 , 0.53 ),
|
||||
(33, "Arsenic", "As", ( 0.74, 0.50, 0.89, 1.0), 1.20, 1.20, 1.33 , -3 , 2.22 , 3 , 0.58 , 5 , 0.46 ),
|
||||
(34, "Selenium", "Se", ( 1.0, 0.63, 0.0, 1.0), 1.16, 1.16, 1.22 , -2 , 1.91 , -1 , 2.32 , 1 , 0.66 , 4 , 0.50 , 6 , 0.42 ),
|
||||
(35, "Bromine", "Br", ( 0.65, 0.16, 0.16, 1.0), 1.14, 1.14, 1.12 , -1 , 1.96 , 5 , 0.47 , 7 , 0.39 ),
|
||||
(36, "Krypton", "Kr", ( 0.36, 0.72, 0.81, 1.0), 1.31, 1.31, 1.24 ),
|
||||
(37, "Rubidium", "Rb", ( 0.43, 0.18, 0.69, 1.0), 2.16, 2.16, 2.98 , 1 , 1.47 ),
|
||||
(38, "Strontium", "Sr", ( 0.0, 1.0, 0.0, 1.0), 1.91, 1.91, 2.45 , 2 , 1.12 ),
|
||||
(39, "Yttrium", "Y", ( 0.58, 1.0, 1.0, 1.0), 1.62, 1.62, 2.27 , 3 , 0.89 ),
|
||||
(40, "Zirconium", "Zr", ( 0.58, 0.87, 0.87, 1.0), 1.45, 1.45, 2.16 , 1 , 1.09 , 4 , 0.79 ),
|
||||
(41, "Niobium", "Nb", ( 0.45, 0.76, 0.78, 1.0), 1.34, 1.34, 2.08 , 1 , 1.00 , 4 , 0.74 , 5 , 0.69 ),
|
||||
(42, "Molybdenum", "Mo", ( 0.32, 0.70, 0.70, 1.0), 1.30, 1.30, 2.01 , 1 , 0.93 , 4 , 0.70 , 6 , 0.62 ),
|
||||
(43, "Technetium", "Tc", ( 0.23, 0.61, 0.61, 1.0), 1.27, 1.27, 1.95 , 7 , 0.97 ),
|
||||
(44, "Ruthenium", "Ru", ( 0.14, 0.56, 0.56, 1.0), 1.25, 1.25, 1.89 , 4 , 0.67 ),
|
||||
(45, "Rhodium", "Rh", ( 0.03, 0.49, 0.54, 1.0), 1.25, 1.25, 1.83 , 3 , 0.68 ),
|
||||
(46, "Palladium", "Pd", ( 0.0, 0.41, 0.52, 1.0), 1.28, 1.28, 1.79 , 2 , 0.80 , 4 , 0.65 ),
|
||||
(47, "Silver", "Ag", ( 0.75, 0.75, 0.75, 1.0), 1.34, 1.34, 1.75 , 1 , 1.26 , 2 , 0.89 ),
|
||||
(48, "Cadmium", "Cd", ( 1.0, 0.85, 0.56, 1.0), 1.48, 1.48, 1.71 , 1 , 1.14 , 2 , 0.97 ),
|
||||
(49, "Indium", "In", ( 0.65, 0.45, 0.45, 1.0), 1.44, 1.44, 2.00 , 3 , 0.81 ),
|
||||
(50, "Tin", "Sn", ( 0.4, 0.50, 0.50, 1.0), 1.41, 1.41, 1.72 , -4 , 2.94 , -1 , 3.70 , 2 , 0.93 , 4 , 0.71 ),
|
||||
(51, "Antimony", "Sb", ( 0.61, 0.38, 0.70, 1.0), 1.40, 1.40, 1.53 , -3 , 2.45 , 3 , 0.76 , 5 , 0.62 ),
|
||||
(52, "Tellurium", "Te", ( 0.83, 0.47, 0.0, 1.0), 1.36, 1.36, 1.42 , -2 , 2.11 , -1 , 2.50 , 1 , 0.82 , 4 , 0.70 , 6 , 0.56 ),
|
||||
(53, "Iodine", "I", ( 0.58, 0.0, 0.58, 1.0), 1.33, 1.33, 1.32 , -1 , 2.20 , 5 , 0.62 , 7 , 0.50 ),
|
||||
(54, "Xenon", "Xe", ( 0.25, 0.61, 0.69, 1.0), 1.31, 1.31, 1.24 ),
|
||||
(55, "Caesium", "Cs", ( 0.34, 0.09, 0.56, 1.0), 2.35, 2.35, 3.35 , 1 , 1.67 ),
|
||||
(56, "Barium", "Ba", ( 0.0, 0.78, 0.0, 1.0), 1.98, 1.98, 2.78 , 1 , 1.53 , 2 , 1.34 ),
|
||||
(57, "Lanthanum", "La", ( 0.43, 0.83, 1.0, 1.0), 1.69, 1.69, 2.74 , 1 , 1.39 , 3 , 1.06 ),
|
||||
(58, "Cerium", "Ce", ( 1.0, 1.0, 0.78, 1.0), 1.65, 1.65, 2.70 , 1 , 1.27 , 3 , 1.03 , 4 , 0.92 ),
|
||||
(59, "Praseodymium", "Pr", ( 0.85, 1.0, 0.78, 1.0), 1.65, 1.65, 2.67 , 3 , 1.01 , 4 , 0.90 ),
|
||||
(60, "Neodymium", "Nd", ( 0.78, 1.0, 0.78, 1.0), 1.64, 1.64, 2.64 , 3 , 0.99 ),
|
||||
(61, "Promethium", "Pm", ( 0.63, 1.0, 0.78, 1.0), 1.63, 1.63, 2.62 , 3 , 0.97 ),
|
||||
(62, "Samarium", "Sm", ( 0.56, 1.0, 0.78, 1.0), 1.62, 1.62, 2.59 , 3 , 0.96 ),
|
||||
(63, "Europium", "Eu", ( 0.38, 1.0, 0.78, 1.0), 1.85, 1.85, 2.56 , 2 , 1.09 , 3 , 0.95 ),
|
||||
(64, "Gadolinium", "Gd", ( 0.27, 1.0, 0.78, 1.0), 1.61, 1.61, 2.54 , 3 , 0.93 ),
|
||||
(65, "Terbium", "Tb", ( 0.18, 1.0, 0.78, 1.0), 1.59, 1.59, 2.51 , 3 , 0.92 , 4 , 0.84 ),
|
||||
(66, "Dysprosium", "Dy", ( 0.12, 1.0, 0.78, 1.0), 1.59, 1.59, 2.49 , 3 , 0.90 ),
|
||||
(67, "Holmium", "Ho", ( 0.0, 1.0, 0.61, 1.0), 1.58, 1.58, 2.47 , 3 , 0.89 ),
|
||||
(68, "Erbium", "Er", ( 0.0, 0.90, 0.45, 1.0), 1.57, 1.57, 2.45 , 3 , 0.88 ),
|
||||
(69, "Thulium", "Tm", ( 0.0, 0.83, 0.32, 1.0), 1.56, 1.56, 2.42 , 3 , 0.87 ),
|
||||
(70, "Ytterbium", "Yb", ( 0.0, 0.74, 0.21, 1.0), 1.74, 1.74, 2.40 , 2 , 0.93 , 3 , 0.85 ),
|
||||
(71, "Lutetium", "Lu", ( 0.0, 0.67, 0.14, 1.0), 1.56, 1.56, 2.25 , 3 , 0.85 ),
|
||||
(72, "Hafnium", "Hf", ( 0.30, 0.76, 1.0, 1.0), 1.44, 1.44, 2.16 , 4 , 0.78 ),
|
||||
(73, "Tantalum", "Ta", ( 0.30, 0.65, 1.0, 1.0), 1.34, 1.34, 2.09 , 5 , 0.68 ),
|
||||
(74, "Tungsten", "W", ( 0.12, 0.58, 0.83, 1.0), 1.30, 1.30, 2.02 , 4 , 0.70 , 6 , 0.62 ),
|
||||
(75, "Rhenium", "Re", ( 0.14, 0.49, 0.67, 1.0), 1.28, 1.28, 1.97 , 4 , 0.72 , 7 , 0.56 ),
|
||||
(76, "Osmium", "Os", ( 0.14, 0.4, 0.58, 1.0), 1.26, 1.26, 1.92 , 4 , 0.88 , 6 , 0.69 ),
|
||||
(77, "Iridium", "Ir", ( 0.09, 0.32, 0.52, 1.0), 1.27, 1.27, 1.87 , 4 , 0.68 ),
|
||||
(78, "Platinum", "Pt", ( 0.81, 0.81, 0.87, 1.0), 1.30, 1.30, 1.83 , 2 , 0.80 , 4 , 0.65 ),
|
||||
(79, "Gold", "Au", ( 1.0, 0.81, 0.13, 1.0), 1.34, 1.34, 1.79 , 1 , 1.37 , 3 , 0.85 ),
|
||||
(80, "Mercury", "Hg", ( 0.72, 0.72, 0.81, 1.0), 1.49, 1.49, 1.76 , 1 , 1.27 , 2 , 1.10 ),
|
||||
(81, "Thallium", "Tl", ( 0.65, 0.32, 0.30, 1.0), 1.48, 1.48, 2.08 , 1 , 1.47 , 3 , 0.95 ),
|
||||
(82, "Lead", "Pb", ( 0.34, 0.34, 0.38, 1.0), 1.47, 1.47, 1.81 , 2 , 1.20 , 4 , 0.84 ),
|
||||
(83, "Bismuth", "Bi", ( 0.61, 0.30, 0.70, 1.0), 1.46, 1.46, 1.63 , 1 , 0.98 , 3 , 0.96 , 5 , 0.74 ),
|
||||
(84, "Polonium", "Po", ( 0.67, 0.36, 0.0, 1.0), 1.46, 1.46, 1.53 , 6 , 0.67 ),
|
||||
(85, "Astatine", "At", ( 0.45, 0.30, 0.27, 1.0), 1.45, 1.45, 1.43 , -3 , 2.22 , 3 , 0.85 , 5 , 0.46 ),
|
||||
(86, "Radon", "Rn", ( 0.25, 0.50, 0.58, 1.0), 1.00, 1.00, 1.34 ),
|
||||
(87, "Francium", "Fr", ( 0.25, 0.0, 0.4, 1.0), 1.00, 1.00, 1.00 , 1 , 1.80 ),
|
||||
(88, "Radium", "Ra", ( 0.0, 0.49, 0.0, 1.0), 1.00, 1.00, 1.00 , 2 , 1.43 ),
|
||||
(89, "Actinium", "Ac", ( 0.43, 0.67, 0.98, 1.0), 1.00, 1.00, 1.00 , 3 , 1.18 ),
|
||||
(90, "Thorium", "Th", ( 0.0, 0.72, 1.0, 1.0), 1.65, 1.65, 1.00 , 4 , 1.02 ),
|
||||
(91, "Protactinium", "Pa", ( 0.0, 0.63, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.13 , 4 , 0.98 , 5 , 0.89 ),
|
||||
(92, "Uranium", "U", ( 0.0, 0.56, 1.0, 1.0), 1.42, 1.42, 1.00 , 4 , 0.97 , 6 , 0.80 ),
|
||||
(93, "Neptunium", "Np", ( 0.0, 0.50, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.10 , 4 , 0.95 , 7 , 0.71 ),
|
||||
(94, "Plutonium", "Pu", ( 0.0, 0.41, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.08 , 4 , 0.93 ),
|
||||
(95, "Americium", "Am", ( 0.32, 0.36, 0.94, 1.0), 1.00, 1.00, 1.00 , 3 , 1.07 , 4 , 0.92 ),
|
||||
(96, "Curium", "Cm", ( 0.47, 0.36, 0.89, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(97, "Berkelium", "Bk", ( 0.54, 0.30, 0.89, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(98, "Californium", "Cf", ( 0.63, 0.21, 0.83, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(99, "Einsteinium", "Es", ( 0.70, 0.12, 0.83, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(100, "Fermium", "Fm", ( 0.70, 0.12, 0.72, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(101, "Mendelevium", "Md", ( 0.70, 0.05, 0.65, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(102, "Nobelium", "No", ( 0.74, 0.05, 0.52, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(103, "Lawrencium", "Lr", ( 0.78, 0.0, 0.4, 1.0), 1.00, 1.00, 1.00 ),
|
||||
(104, "Vacancy", "Vac", ( 0.5, 0.5, 0.5, 1.0), 1.00, 1.00, 1.00),
|
||||
(105, "Default", "Default", ( 1.0, 1.0, 1.0, 1.0), 1.00, 1.00, 1.00),
|
||||
(106, "Stick", "Stick", ( 0.5, 0.5, 0.5, 1.0), 1.00, 1.00, 1.00),
|
||||
)
|
||||
|
||||
# This list here contains all data of the elements and will be used during
|
||||
# runtime. It is a list of classes.
|
||||
# During executing Atomic Blender, the list will be initialized with the fixed
|
||||
# data from above via the class structure below (ElementProp). We
|
||||
# have then one fixed list (above), which will never be changed, and a list of
|
||||
# classes with same data. The latter can be modified via loading a separate
|
||||
# custom data file for instance.
|
||||
ELEMENTS = []
|
||||
|
||||
# This is the list, which contains all atoms of all frames! Each item is a
|
||||
# list which contains the atoms of a single frame. It is a list of
|
||||
# 'AtomProp'.
|
||||
ALL_FRAMES = []
|
||||
|
||||
# A list of ALL balls which are put into the scene
|
||||
STRUCTURE = []
|
||||
|
||||
|
||||
# This is the class, which stores the properties for one element.
|
||||
class ElementProp(object):
|
||||
__slots__ = ('number', 'name', 'short_name', 'color', 'radii', 'radii_ionic')
|
||||
def __init__(self, number, name, short_name, color, radii, radii_ionic):
|
||||
self.number = number
|
||||
self.name = name
|
||||
self.short_name = short_name
|
||||
self.color = color
|
||||
self.radii = radii
|
||||
self.radii_ionic = radii_ionic
|
||||
|
||||
# This is the class, which stores the properties of one atom.
|
||||
class AtomProp(object):
|
||||
__slots__ = ('element', 'name', 'location', 'radius', 'color', 'material')
|
||||
def __init__(self, element, name, location, radius, color, material):
|
||||
self.element = element
|
||||
self.name = name
|
||||
self.location = location
|
||||
self.radius = radius
|
||||
self.color = color
|
||||
self.material = material
|
||||
|
||||
|
||||
# -----------------------------------------------------------------------------
|
||||
# Some basic routines
|
||||
|
||||
def read_elements():
|
||||
|
||||
del ELEMENTS[:]
|
||||
|
||||
for item in ELEMENTS_DEFAULT:
|
||||
|
||||
# All three radii into a list
|
||||
radii = [item[4],item[5],item[6]]
|
||||
# The handling of the ionic radii will be done later. So far, it is an
|
||||
# empty list.
|
||||
radii_ionic = []
|
||||
|
||||
li = ElementProp(item[0],item[1],item[2],item[3],
|
||||
radii,radii_ionic)
|
||||
ELEMENTS.append(li)
|
||||
|
||||
|
||||
# filepath_pdb: path to pdb file
|
||||
# radiustype : '0' default
|
||||
# '1' atomic radii
|
||||
# '2' van der Waals
|
||||
def read_xyz_file(filepath_xyz,radiustype):
|
||||
|
||||
number_frames = 0
|
||||
total_number_atoms = 0
|
||||
|
||||
# Open the file ...
|
||||
filepath_xyz_p = open(filepath_xyz, "r")
|
||||
|
||||
#Go through the whole file.
|
||||
FLAG = False
|
||||
for line in filepath_xyz_p:
|
||||
|
||||
# ... the loop is broken here (EOF) ...
|
||||
if line == "":
|
||||
continue
|
||||
|
||||
split_list = line.rsplit()
|
||||
|
||||
if len(split_list) == 1:
|
||||
number_atoms = int(split_list[0])
|
||||
FLAG = True
|
||||
|
||||
if FLAG == True:
|
||||
|
||||
line = filepath_xyz_p.readline()
|
||||
line = line.rstrip()
|
||||
|
||||
all_atoms= []
|
||||
for i in range(number_atoms):
|
||||
|
||||
|
||||
# This is a guarantee that only the total number of atoms of the
|
||||
# first frame is used. Condition is, so far, that the number of
|
||||
# atoms in a xyz file is constant. However, sometimes the number
|
||||
# may increase (or decrease). If it decreases, the addon crashes.
|
||||
# If it increases, only the tot number of atoms of the first frame
|
||||
# is used.
|
||||
# By time, I will allow varying atom numbers ... but this takes
|
||||
# some time ...
|
||||
if number_frames != 0:
|
||||
if i >= total_number_atoms:
|
||||
break
|
||||
|
||||
|
||||
line = filepath_xyz_p.readline()
|
||||
line = line.rstrip()
|
||||
split_list = line.rsplit()
|
||||
short_name = str(split_list[0])
|
||||
|
||||
# Go through all elements and find the element of the current atom.
|
||||
FLAG_FOUND = False
|
||||
for element in ELEMENTS:
|
||||
if str.upper(short_name) == str.upper(element.short_name):
|
||||
# Give the atom its proper name, color and radius:
|
||||
name = element.name
|
||||
# int(radiustype) => type of radius:
|
||||
# pre-defined (0), atomic (1) or van der Waals (2)
|
||||
radius = float(element.radii[int(radiustype)])
|
||||
color = element.color
|
||||
FLAG_FOUND = True
|
||||
break
|
||||
|
||||
# Is it a vacancy or an 'unknown atom' ?
|
||||
if FLAG_FOUND == False:
|
||||
# Give this atom also a name. If it is an 'X' then it is a
|
||||
# vacancy. Otherwise ...
|
||||
if "X" in short_name:
|
||||
short_name = "VAC"
|
||||
name = "Vacancy"
|
||||
radius = float(ELEMENTS[-3].radii[int(radiustype)])
|
||||
color = ELEMENTS[-3].color
|
||||
# ... take what is written in the xyz file. These are somewhat
|
||||
# unknown atoms. This should never happen, the element list is
|
||||
# almost complete. However, we do this due to security reasons.
|
||||
else:
|
||||
name = str.upper(short_name)
|
||||
radius = float(ELEMENTS[-2].radii[int(radiustype)])
|
||||
color = ELEMENTS[-2].color
|
||||
|
||||
x = float(split_list[1])
|
||||
y = float(split_list[2])
|
||||
z = float(split_list[3])
|
||||
|
||||
location = Vector((x,y,z))
|
||||
|
||||
all_atoms.append([short_name, name, location, radius, color])
|
||||
|
||||
# We note here all elements. This needs to be done only once.
|
||||
if number_frames == 0:
|
||||
|
||||
# This is a guarantee that only the total number of atoms of the
|
||||
# first frame is used. Condition is, so far, that the number of
|
||||
# atoms in a xyz file is constant. However, sometimes the number
|
||||
# may increase (or decrease). If it decreases, the addon crashes.
|
||||
# If it increases, only the tot number of atoms of the first frame
|
||||
# is used.
|
||||
# By time, I will allow varying atom numbers ... but this takes
|
||||
# some time ...
|
||||
total_number_atoms = number_atoms
|
||||
|
||||
|
||||
elements = []
|
||||
for atom in all_atoms:
|
||||
FLAG_FOUND = False
|
||||
for element in elements:
|
||||
# If the atom name is already in the list,
|
||||
# FLAG on 'True'.
|
||||
if element == atom[1]:
|
||||
FLAG_FOUND = True
|
||||
break
|
||||
# No name in the current list has been found? => New entry.
|
||||
if FLAG_FOUND == False:
|
||||
# Stored are: Atom label (e.g. 'Na'), the corresponding
|
||||
# atom name (e.g. 'Sodium') and its color.
|
||||
elements.append(atom[1])
|
||||
|
||||
# Sort the atoms: create lists of atoms of one type
|
||||
structure = []
|
||||
for element in elements:
|
||||
atoms_one_type = []
|
||||
for atom in all_atoms:
|
||||
if atom[1] == element:
|
||||
atoms_one_type.append(AtomProp(atom[0],
|
||||
atom[1],
|
||||
atom[2],
|
||||
atom[3],
|
||||
atom[4],[]))
|
||||
structure.append(atoms_one_type)
|
||||
|
||||
ALL_FRAMES.append(structure)
|
||||
number_frames += 1
|
||||
FLAG = False
|
||||
|
||||
filepath_xyz_p.close()
|
||||
|
||||
return total_number_atoms
|
||||
|
||||
|
||||
# Rotate an object.
|
||||
def rotate_object(rot_mat, obj):
|
||||
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
obj.select_set(True)
|
||||
|
||||
# Decompose world_matrix's components, and from them assemble 4x4 matrices.
|
||||
orig_loc, orig_rot, orig_scale = obj.matrix_world.decompose()
|
||||
|
||||
orig_loc_mat = Matrix.Translation(orig_loc)
|
||||
orig_rot_mat = orig_rot.to_matrix().to_4x4()
|
||||
orig_scale_mat = (Matrix.Scale(orig_scale[0],4,(1,0,0)) @
|
||||
Matrix.Scale(orig_scale[1],4,(0,1,0)) @
|
||||
Matrix.Scale(orig_scale[2],4,(0,0,1)))
|
||||
|
||||
# Assemble the new matrix.
|
||||
obj.matrix_world = orig_loc_mat @ rot_mat @ orig_rot_mat @ orig_scale_mat
|
||||
|
||||
|
||||
# Function, which puts a camera and light source into the 3D scene
|
||||
def camera_light_source(use_camera,
|
||||
use_light,
|
||||
object_center_vec,
|
||||
object_size):
|
||||
|
||||
camera_factor = 15.0
|
||||
|
||||
# If chosen a camera is put into the scene.
|
||||
if use_camera == True:
|
||||
|
||||
# Assume that the object is put into the global origin. Then, the
|
||||
# camera is moved in x and z direction, not in y. The object has its
|
||||
# size at distance sqrt(object_size) from the origin. So, move the
|
||||
# camera by this distance times a factor of camera_factor in x and z.
|
||||
# Then add x, y and z of the origin of the object.
|
||||
object_camera_vec = Vector((sqrt(object_size) * camera_factor,
|
||||
0.0,
|
||||
sqrt(object_size) * camera_factor))
|
||||
camera_xyz_vec = object_center_vec + object_camera_vec
|
||||
|
||||
# Create the camera
|
||||
camera_data = bpy.data.cameras.new("A_camera")
|
||||
camera_data.lens = 45
|
||||
camera_data.clip_end = 500.0
|
||||
camera = bpy.data.objects.new("A_camera", camera_data)
|
||||
camera.location = camera_xyz_vec
|
||||
bpy.context.collection.objects.link(camera)
|
||||
|
||||
# Here the camera is rotated such it looks towards the center of
|
||||
# the object. The [0.0, 0.0, 1.0] vector along the z axis
|
||||
z_axis_vec = Vector((0.0, 0.0, 1.0))
|
||||
# The angle between the last two vectors
|
||||
angle = object_camera_vec.angle(z_axis_vec, 0)
|
||||
# The cross-product of z_axis_vec and object_camera_vec
|
||||
axis_vec = z_axis_vec.cross(object_camera_vec)
|
||||
# Rotate 'axis_vec' by 'angle' and convert this to euler parameters.
|
||||
# 4 is the size of the matrix.
|
||||
camera.rotation_euler = Matrix.Rotation(angle, 4, axis_vec).to_euler()
|
||||
|
||||
# Rotate the camera around its axis by 90° such that we have a nice
|
||||
# camera position and view onto the object.
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
camera.select_set(True)
|
||||
|
||||
# Rotate the camera around its axis 'object_camera_vec' by 90° such
|
||||
# that we have a nice camera view onto the object.
|
||||
matrix_rotation = Matrix.Rotation(90/360*2*pi, 4, object_camera_vec)
|
||||
rotate_object(matrix_rotation, camera)
|
||||
|
||||
# Here a lamp is put into the scene, if chosen.
|
||||
if use_light == True:
|
||||
|
||||
# This is the distance from the object measured in terms of %
|
||||
# of the camera distance. It is set onto 50% (1/2) distance.
|
||||
light_dl = sqrt(object_size) * 15 * 0.5
|
||||
# This is a factor to which extend the lamp shall go to the right
|
||||
# (from the camera point of view).
|
||||
light_dy_right = light_dl * (3.0/4.0)
|
||||
|
||||
# Create x, y and z for the lamp.
|
||||
object_light_vec = Vector((light_dl,light_dy_right,light_dl))
|
||||
light_xyz_vec = object_center_vec + object_light_vec
|
||||
|
||||
# Create the lamp
|
||||
light_data = bpy.data.lights.new(name="A_light", type="SUN")
|
||||
light_data.distance = 500.0
|
||||
light_data.energy = 3.0
|
||||
lamp = bpy.data.objects.new("A_light", light_data)
|
||||
lamp.location = light_xyz_vec
|
||||
bpy.context.collection.objects.link(lamp)
|
||||
|
||||
# Some settings for the World: a bit ambient occlusion
|
||||
bpy.context.scene.world.light_settings.use_ambient_occlusion = True
|
||||
bpy.context.scene.world.light_settings.ao_factor = 0.2
|
||||
# Some properties for cycles
|
||||
lamp.data.use_nodes = True
|
||||
lmp_P_BSDF = lamp.data.node_tree.nodes['Emission']
|
||||
lmp_P_BSDF.inputs['Strength'].default_value = 5
|
||||
|
||||
# -----------------------------------------------------------------------------
|
||||
# The main routine
|
||||
|
||||
def import_xyz(Ball_type,
|
||||
Ball_azimuth,
|
||||
Ball_zenith,
|
||||
Ball_radius_factor,
|
||||
radiustype,
|
||||
Ball_distance_factor,
|
||||
put_to_center,
|
||||
put_to_center_all,
|
||||
use_camera,
|
||||
use_light,
|
||||
filepath_xyz):
|
||||
|
||||
# List of materials
|
||||
atom_material_list = []
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# INITIALIZE THE ELEMENT LIST
|
||||
|
||||
read_elements()
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# READING DATA OF ATOMS
|
||||
|
||||
Number_of_total_atoms = read_xyz_file(filepath_xyz, radiustype)
|
||||
|
||||
# We show the atoms of the first frame.
|
||||
first_frame = ALL_FRAMES[0]
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# MATERIAL PROPERTIES FOR ATOMS
|
||||
|
||||
# Create first a new list of materials for each type of atom
|
||||
# (e.g. hydrogen)
|
||||
for atoms_of_one_type in first_frame:
|
||||
# Take the first atom
|
||||
atom = atoms_of_one_type[0]
|
||||
material = bpy.data.materials.new(atom.name)
|
||||
material.name = atom.name
|
||||
material.diffuse_color = atom.color
|
||||
atom_material_list.append(material)
|
||||
|
||||
# Now, we go through all atoms and give them a material. For all atoms ...
|
||||
for atoms_of_one_type in first_frame:
|
||||
for atom in atoms_of_one_type:
|
||||
# ... and all materials ...
|
||||
for material in atom_material_list:
|
||||
# ... select the correct material for the current atom via
|
||||
# comparison of names ...
|
||||
if atom.name in material.name:
|
||||
# ... and give the atom its material properties.
|
||||
# However, before we check if it is a vacancy
|
||||
# The vacancy is represented by a transparent cube.
|
||||
if atom.name == "Vacancy":
|
||||
material.metallic = 0.8
|
||||
material.specular_intensity = 0.5
|
||||
material.roughness = 0.3
|
||||
material.blend_method = 'ADD'
|
||||
material.show_transparent_back = False
|
||||
# Some properties for cycles
|
||||
material.use_nodes = True
|
||||
mat_P_BSDF = material.node_tree.nodes['Principled BSDF']
|
||||
mat_P_BSDF.inputs['Metallic'].default_value = 0.1
|
||||
mat_P_BSDF.inputs['Roughness'].default_value = 0.2
|
||||
mat_P_BSDF.inputs['Transmission'].default_value = 0.97
|
||||
mat_P_BSDF.inputs['IOR'].default_value = 0.8
|
||||
# The atom gets its properties.
|
||||
atom.material = material
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# TRANSLATION OF THE STRUCTURE TO THE ORIGIN
|
||||
|
||||
# It may happen that the structure in a XYZ file already has an offset
|
||||
|
||||
|
||||
# If chosen, the structure is put into the center of the scene
|
||||
# (only the first frame).
|
||||
if put_to_center == True and put_to_center_all == False:
|
||||
|
||||
sum_vec = Vector((0.0,0.0,0.0))
|
||||
|
||||
# Sum of all atom coordinates
|
||||
for atoms_of_one_type in first_frame:
|
||||
sum_vec = sum([atom.location for atom in atoms_of_one_type], sum_vec)
|
||||
|
||||
# Then the average is taken
|
||||
sum_vec = sum_vec / Number_of_total_atoms
|
||||
|
||||
# After, for each atom the center of gravity is substracted
|
||||
for atoms_of_one_type in first_frame:
|
||||
for atom in atoms_of_one_type:
|
||||
atom.location -= sum_vec
|
||||
|
||||
# If chosen, the structure is put into the center of the scene
|
||||
# (all frames).
|
||||
if put_to_center_all == True:
|
||||
|
||||
# For all frames
|
||||
for frame in ALL_FRAMES:
|
||||
|
||||
sum_vec = Vector((0.0,0.0,0.0))
|
||||
|
||||
# Sum of all atom coordinates
|
||||
for (i, atoms_of_one_type) in enumerate(frame):
|
||||
|
||||
# This is a guarantee that only the total number of atoms of the
|
||||
# first frame is used. Condition is, so far, that the number of
|
||||
# atoms in a xyz file is constant. However, sometimes the number
|
||||
# may increase (or decrease). If it decreases, the addon crashes.
|
||||
# If it increases, only the tot number of atoms of the first frame
|
||||
# is used.
|
||||
# By time, I will allow varying atom numbers ... but this takes
|
||||
# some time ...
|
||||
if i >= Number_of_total_atoms:
|
||||
break
|
||||
|
||||
sum_vec = sum([atom.location for atom in atoms_of_one_type], sum_vec)
|
||||
|
||||
# Then the average is taken
|
||||
sum_vec = sum_vec / Number_of_total_atoms
|
||||
|
||||
# After, for each atom the center of gravity is substracted
|
||||
for atoms_of_one_type in frame:
|
||||
for atom in atoms_of_one_type:
|
||||
atom.location -= sum_vec
|
||||
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# SCALING
|
||||
|
||||
# Take all atoms and adjust their radii and scale the distances.
|
||||
for atoms_of_one_type in first_frame:
|
||||
for atom in atoms_of_one_type:
|
||||
atom.location *= Ball_distance_factor
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# DETERMINATION OF SOME GEOMETRIC PROPERTIES
|
||||
|
||||
# In the following, some geometric properties of the whole object are
|
||||
# determined: center, size, etc.
|
||||
sum_vec = Vector((0.0,0.0,0.0))
|
||||
|
||||
# First the center is determined. All coordinates are summed up ...
|
||||
for atoms_of_one_type in first_frame:
|
||||
sum_vec = sum([atom.location for atom in atoms_of_one_type], sum_vec)
|
||||
|
||||
# ... and the average is taken. This gives the center of the object.
|
||||
object_center_vec = sum_vec / Number_of_total_atoms
|
||||
|
||||
# Now, we determine the size.The farthest atom from the object center is
|
||||
# taken as a measure. The size is used to place well the camera and light
|
||||
# into the scene.
|
||||
|
||||
object_size_vec = []
|
||||
for atoms_of_one_type in first_frame:
|
||||
object_size_vec += [atom.location - object_center_vec for atom in atoms_of_one_type]
|
||||
|
||||
object_size = 0.0
|
||||
object_size = max(object_size_vec).length
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# COLLECTION
|
||||
|
||||
# Before we start to draw the atoms, we first create a collection for the
|
||||
# atomic structure. All atoms (balls) are put into this collection.
|
||||
coll_structure_name = os.path.basename(filepath_xyz)
|
||||
scene = bpy.context.scene
|
||||
coll_structure = bpy.data.collections.new(coll_structure_name)
|
||||
scene.collection.children.link(coll_structure)
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# DRAWING THE ATOMS
|
||||
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
|
||||
# For each list of atoms of ONE type (e.g. Hydrogen)
|
||||
for atoms_of_one_type in first_frame:
|
||||
|
||||
# Create first the vertices composed of the coordinates of all
|
||||
# atoms of one type
|
||||
atom_vertices = []
|
||||
for atom in atoms_of_one_type:
|
||||
# In fact, the object is created in the World's origin.
|
||||
# This is why 'object_center_vec' is substracted. At the end
|
||||
# the whole object is translated back to 'object_center_vec'.
|
||||
atom_vertices.append( atom.location - object_center_vec )
|
||||
|
||||
# First, we create a collection of the element, which
|
||||
# contains the atoms (balls + mesh)!
|
||||
coll_element_name = atom.name # the element name
|
||||
# Create the new collection and ...
|
||||
coll_element = bpy.data.collections.new(coll_element_name)
|
||||
# ... link it to the collection, which contains all parts of the
|
||||
# structure.
|
||||
coll_structure.children.link(coll_element)
|
||||
|
||||
# Now, create a collection for the atoms, which includes the
|
||||
# representative ball and the mesh.
|
||||
coll_atom_name = atom.name + "_atom"
|
||||
# Create the new collection and ...
|
||||
coll_atom = bpy.data.collections.new(coll_atom_name)
|
||||
# ... link it to the collection, which contains all parts of the
|
||||
# element (ball and mesh).
|
||||
coll_element.children.link(coll_atom)
|
||||
|
||||
# Build the mesh
|
||||
atom_mesh = bpy.data.meshes.new("Mesh_"+atom.name)
|
||||
atom_mesh.from_pydata(atom_vertices, [], [])
|
||||
atom_mesh.update()
|
||||
new_atom_mesh = bpy.data.objects.new(atom.name + "_mesh", atom_mesh)
|
||||
|
||||
# Link active object to the new collection
|
||||
coll_atom.objects.link(new_atom_mesh)
|
||||
|
||||
# Now, build a representative sphere (atom)
|
||||
if atom.name == "Vacancy":
|
||||
bpy.ops.mesh.primitive_cube_add(
|
||||
view_align=False, enter_editmode=False,
|
||||
location=(0.0, 0.0, 0.0),
|
||||
rotation=(0.0, 0.0, 0.0))
|
||||
else:
|
||||
# NURBS balls
|
||||
if Ball_type == "0":
|
||||
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))
|
||||
# UV balls
|
||||
elif Ball_type == "1":
|
||||
bpy.ops.mesh.primitive_uv_sphere_add(
|
||||
segments=Ball_azimuth, ring_count=Ball_zenith,
|
||||
size=1, view_align=False, enter_editmode=False,
|
||||
location=(0,0,0), rotation=(0, 0, 0))
|
||||
# Meta balls
|
||||
elif Ball_type == "2":
|
||||
bpy.ops.object.metaball_add(type='BALL', view_align=False,
|
||||
enter_editmode=False, location=(0, 0, 0),
|
||||
rotation=(0, 0, 0))
|
||||
|
||||
ball = bpy.context.view_layer.objects.active
|
||||
# Hide this ball because its appearance has no meaning. It is just the
|
||||
# representative ball. The ball is visible at the vertices of the mesh.
|
||||
# Rememmber, this is a dupliverts construct!
|
||||
ball.hide_set(True)
|
||||
# Scale up/down the ball radius.
|
||||
ball.scale = (atom.radius*Ball_radius_factor,) * 3
|
||||
|
||||
if atom.name == "Vacancy":
|
||||
ball.name = atom.name + "_cube"
|
||||
else:
|
||||
ball.name = atom.name + "_ball"
|
||||
ball.active_material = atom.material
|
||||
ball.parent = new_atom_mesh
|
||||
new_atom_mesh.instance_type = 'VERTS'
|
||||
# The object is back translated to 'object_center_vec'.
|
||||
new_atom_mesh.location = object_center_vec
|
||||
STRUCTURE.append(new_atom_mesh)
|
||||
|
||||
# Note the collection where the ball was placed into.
|
||||
coll_all = ball.users_collection
|
||||
if len(coll_all) > 0:
|
||||
coll_past = coll_all[0]
|
||||
else:
|
||||
coll_past = bpy.context.scene.collection
|
||||
|
||||
# Put the atom into the new collection 'atom' and ...
|
||||
coll_atom.objects.link(ball)
|
||||
# ... unlink the atom from the other collection.
|
||||
coll_past.objects.unlink(ball)
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# CAMERA and LIGHT SOURCES
|
||||
|
||||
camera_light_source(use_camera,
|
||||
use_light,
|
||||
object_center_vec,
|
||||
object_size)
|
||||
|
||||
# ------------------------------------------------------------------------
|
||||
# SELECT ALL LOADED OBJECTS
|
||||
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
obj = None
|
||||
for obj in STRUCTURE:
|
||||
obj.select_set(True)
|
||||
# activate the last selected object (perhaps another should be active?)
|
||||
if obj:
|
||||
bpy.context.view_layer.objects.active = obj
|
||||
|
||||
|
||||
|
||||
def build_frames(frame_delta, frame_skip):
|
||||
|
||||
scn = bpy.context.scene
|
||||
|
||||
# Introduce the basis for all elements that appear in the structure.
|
||||
for element in STRUCTURE:
|
||||
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
bpy.context.view_layer.objects.active = element
|
||||
element.select_set(True)
|
||||
bpy.ops.object.shape_key_add(True)
|
||||
|
||||
frame_skip += 1
|
||||
|
||||
# Introduce the keys and reference the atom positions for each key.
|
||||
i = 0
|
||||
for j, frame in enumerate(ALL_FRAMES):
|
||||
|
||||
if j % frame_skip == 0:
|
||||
|
||||
for elements_frame, elements_structure in zip(frame,STRUCTURE):
|
||||
|
||||
key = elements_structure.shape_key_add()
|
||||
|
||||
for atom_frame, atom_structure in zip(elements_frame, key.data):
|
||||
|
||||
atom_structure.co = (atom_frame.location
|
||||
- elements_structure.location)
|
||||
|
||||
key.name = atom_frame.name + "_frame_" + str(i)
|
||||
|
||||
i += 1
|
||||
|
||||
num_frames = i
|
||||
|
||||
scn.frame_start = 0
|
||||
scn.frame_end = frame_delta * num_frames
|
||||
|
||||
# Manage the values of the keys
|
||||
for element in STRUCTURE:
|
||||
|
||||
scn.frame_current = 0
|
||||
|
||||
element.data.shape_keys.key_blocks[1].value = 1.0
|
||||
element.data.shape_keys.key_blocks[2].value = 0.0
|
||||
element.data.shape_keys.key_blocks[1].keyframe_insert("value")
|
||||
element.data.shape_keys.key_blocks[2].keyframe_insert("value")
|
||||
|
||||
scn.frame_current += frame_delta
|
||||
|
||||
number = 0
|
||||
|
||||
for number in range(num_frames)[2:]:#-1]:
|
||||
|
||||
element.data.shape_keys.key_blocks[number-1].value = 0.0
|
||||
element.data.shape_keys.key_blocks[number].value = 1.0
|
||||
element.data.shape_keys.key_blocks[number+1].value = 0.0
|
||||
element.data.shape_keys.key_blocks[number-1].keyframe_insert("value")
|
||||
element.data.shape_keys.key_blocks[number].keyframe_insert("value")
|
||||
element.data.shape_keys.key_blocks[number+1].keyframe_insert("value")
|
||||
|
||||
scn.frame_current += frame_delta
|
||||
|
||||
number += 1
|
||||
|
||||
element.data.shape_keys.key_blocks[number].value = 1.0
|
||||
element.data.shape_keys.key_blocks[number-1].value = 0.0
|
||||
element.data.shape_keys.key_blocks[number].keyframe_insert("value")
|
||||
element.data.shape_keys.key_blocks[number-1].keyframe_insert("value")
|
Loading…
Reference in New Issue