[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [3920] contrib/py/scripts/addons:
Clemens Barth
barth at root-1.de
Sat Nov 3 19:59:47 CET 2012
Revision: 3920
http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=3920
Author: blendphys
Date: 2012-11-03 18:59:46 +0000 (Sat, 03 Nov 2012)
Log Message:
-----------
This panel offers some utilities for modyfying ball structures, which
represent atoms, molecules, clusters, surfaces, etc. It is the panel
for the Atomic Blender xyz and pdb import/export addons. As discussed,
we decided to separate the panel from the import/export addons.
http://wiki.blender.org/index.php/Extensions:2.6/Py/Scripts/Import-Export/PDB
http://wiki.blender.org/index.php/Extensions:2.6/Py/Scripts/Import-Export/XYZ
The panel can be downloaded from here:
development.root-1.de/X-Download/io_atomblend_utilities.zip
So far, it has to be manually installed. For instance, it can be installed via
File-> User preferences -> Addons + section 'Testing', where it appears under
the name 'Atomic Blender - Utilities'
Wiki and private internet pages will be updated soon.
Blendphys
Added Paths:
-----------
contrib/py/scripts/addons/io_atomblend_utilities/
contrib/py/scripts/addons/io_atomblend_utilities/__init__.py
contrib/py/scripts/addons/io_atomblend_utilities/io_atomblend_utilities.py
Added: contrib/py/scripts/addons/io_atomblend_utilities/__init__.py
===================================================================
--- contrib/py/scripts/addons/io_atomblend_utilities/__init__.py (rev 0)
+++ contrib/py/scripts/addons/io_atomblend_utilities/__init__.py 2012-11-03 18:59:46 UTC (rev 3920)
@@ -0,0 +1,363 @@
+# ##### 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 #####
+
+#
+#
+# Authors : Clemens Barth (Blendphys at root-1.de), ...
+#
+# Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php
+#
+# Start of project : 2011-12-01 by Clemens Barth
+# First publication in Blender : 2012-11-03
+# Last modified : 2012-11-03
+#
+# Acknowledgements
+# ================
+#
+# Blender: ideasman, meta_androcto, truman, kilon, CoDEmanX, dairin0d, PKHG,
+# Valter, ...
+# Other: Frank Palmino
+#
+
+bl_info = {
+ "name": "Atomic Blender - Utilities",
+ "description": "Manipulating atoms",
+ "author": "Clemens Barth",
+ "version": (0,5),
+ "blender": (2,6),
+ "location": "Panel: View 3D - Tools",
+ "warning": "",
+ "wiki_url": "",
+ "tracker_url": "",
+ "category": "Import-Export"
+}
+
+import os
+import io
+import bpy
+import bmesh
+from bpy.types import Operator, Panel
+from bpy.props import (StringProperty,
+ BoolProperty,
+ EnumProperty,
+ IntProperty,
+ FloatProperty)
+
+from . import io_atomblend_utilities
+
+
+# -----------------------------------------------------------------------------
+# GUI
+
+# This is the panel, which can be used to prepare the scene.
+# It is loaded after the file has been chosen via the menu 'File -> Import'
+class CLASS_atom_blend_prepare_panel(Panel):
+ bl_label = "Atomic Blender Utilities"
+ bl_space_type = "VIEW_3D"
+ bl_region_type = "TOOL_PROPS"
+
+ def draw(self, context):
+ layout = self.layout
+
+ if len(context.scene.atom_blend) == 0:
+ bpy.context.scene.atom_blend.add()
+
+ scn = context.scene.atom_blend[0]
+
+ row = layout.row()
+ row.label(text="Custom data file")
+ box = layout.box()
+ row = box.row()
+ row.label(text="Custom data file")
+ row = box.row()
+ col = row.column()
+ col.prop(scn, "datafile")
+ col.operator("atom_blend.datafile_apply")
+ row = box.row()
+ row.operator("atom_blend.button_distance")
+ row.prop(scn, "distance")
+ row = layout.row()
+ row.label(text="Choice of atom radii")
+ box = layout.box()
+ row = box.row()
+ row.label(text="All changes concern:")
+ row = box.row()
+ row.prop(scn, "radius_how")
+ row = box.row()
+ row.label(text="1. Change type of radii")
+ row = box.row()
+ row.prop(scn, "radius_type")
+ row = box.row()
+ row.label(text="2. Change atom radii in pm")
+ row = box.row()
+ row.prop(scn, "radius_pm_name")
+ row = box.row()
+ row.prop(scn, "radius_pm")
+ row = box.row()
+ row.label(text="3. Change atom radii by scale")
+ row = box.row()
+ col = row.column()
+ col.prop(scn, "radius_all")
+ col = row.column(align=True)
+ col.operator( "atom_blend.radius_all_bigger" )
+ col.operator( "atom_blend.radius_all_smaller" )
+
+ layout.separator()
+ row = box.row()
+ row.active = (bpy.context.mode == 'EDIT_MESH')
+ row.operator( "atom_blend.separate_atom" )
+
+
+
+class CLASS_atom_blend_Properties(bpy.types.PropertyGroup):
+
+ def Callback_radius_type(self, context):
+ scn = bpy.context.scene.atom_blend[0]
+ io_atomblend_utilities.DEF_atom_blend_radius_type(
+ scn.radius_type,
+ scn.radius_how,)
+
+ def Callback_radius_pm(self, context):
+ scn = bpy.context.scene.atom_blend[0]
+ io_atomblend_utilities.DEF_atom_blend_radius_pm(
+ scn.radius_pm_name,
+ scn.radius_pm,
+ scn.radius_how,)
+
+ 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")
+ radius_how = EnumProperty(
+ name="",
+ description="Which objects shall be modified?",
+ items=(('ALL_ACTIVE',"all active objects", "in the current layer"),
+ ('ALL_IN_LAYER',"all"," in active layer(s)")),
+ default='ALL_ACTIVE',)
+ radius_type = EnumProperty(
+ name="Type",
+ description="Which type of atom radii?",
+ items=(('0',"predefined", "Use pre-defined radii"),
+ ('1',"atomic", "Use atomic radii"),
+ ('2',"van der Waals","Use van der Waals radii")),
+ default='0',update=Callback_radius_type)
+ radius_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")
+
+
+
+# Button loading a custom data file
+class CLASS_atom_blend_datafile_apply(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[0]
+
+ if scn.datafile == "":
+ return {'FINISHED'}
+
+ io_atomblend_utilities.DEF_atom_blend_custom_datafile(scn.datafile)
+
+ for obj in bpy.context.selected_objects:
+ if len(obj.children) != 0:
+ child = obj.children[0]
+ if child.type in {'SURFACE', 'MESH'}:
+ for element in io_atomblend_utilities.ATOM_BLEND_ELEMENTS:
+ if element.name in obj.name:
+ child.scale = (element.radii[0],) * 3
+ child.active_material.diffuse_color = element.color
+ else:
+ if obj.type in {'SURFACE', 'MESH'}:
+ for element in io_atomblend_utilities.ATOM_BLEND_ELEMENTS:
+ if element.name in obj.name:
+ obj.scale = (element.radii[0],) * 3
+ obj.active_material.diffuse_color = element.color
+
+ return {'FINISHED'}
+
+
+# Button for separating a single atom from a structure
+class CLASS_atom_blend_separate_atom(Operator):
+ bl_idname = "atom_blend.separate_atom"
+ bl_label = "Separate atoms"
+ bl_description = "Separate the atom you have chosen. You have to be in the 'Edit Mode'"
+
+ def execute(self, context):
+ scn = bpy.context.scene.atom_blend[0]
+
+ # Get first all important properties from the atoms, which the user
+ # has chosen: location, color, scale
+ obj = bpy.context.edit_object
+ bm = bmesh.from_edit_mesh(obj.data)
+
+ locations = []
+
+ for v in bm.verts:
+ if v.select:
+ locations.append(obj.matrix_world * v.co)
+
+ bm.free()
+ del(bm)
+
+ name = obj.name
+ scale = obj.children[0].scale
+ material = obj.children[0].active_material
+
+ # Separate the vertex from the main mesh and create a new mesh.
+ bpy.ops.mesh.separate()
+ new_object = bpy.context.scene.objects[0]
+ # And now, switch to the OBJECT mode such that we can ...
+ bpy.ops.object.mode_set(mode='OBJECT', toggle=False)
+ # ... delete the new mesh including the separated vertex
+ bpy.ops.object.select_all(action='DESELECT')
+ new_object.select = True
+ bpy.ops.object.delete()
+
+ # Create new atoms/vacancies at the position of the old atoms
+ current_layers=bpy.context.scene.layers
+
+ # For all selected positions do:
+ for location in locations:
+ # For any ball do ...
+ if "Vacancy" not in name:
+ # NURBS ball
+ if obj.children[0].type == "SURFACE":
+ bpy.ops.surface.primitive_nurbs_surface_sphere_add(
+ view_align=False, enter_editmode=False,
+ location=location,
+ rotation=(0.0, 0.0, 0.0),
+ layers=current_layers)
+ # Mesh ball
+ elif obj.children[0].type == "MESH":
+ bpy.ops.mesh.primitive_uv_sphere_add(
+ segments=32,
+ ring_count=32,
+ #segments=scn.mesh_azimuth,
+ #ring_count=scn.mesh_zenith,
+ size=1, view_align=False, enter_editmode=False,
@@ Diff output truncated at 10240 characters. @@
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