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Clemens Barth authored
I also updated the Wiki page. 2. There was a small mistake introduced by the last commits. This has been fixed. 3. Code cleaning Blendphys
Clemens Barth authoredI also updated the Wiki page. 2. There was a small mistake introduced by the last commits. This has been fixed. 3. Code cleaning Blendphys
__init__.py 9.42 KiB
# ##### 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@root-1.de), ...
#
# Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php
#
# Start of project : 2011-08-31 by Clemens Barth
# First publication in Blender : 2011-11-11
# Last modified : 2012-11-09
#
# Acknowledgements
# ================
#
# Blender: ideasman, meta_androcto, truman, kilon, CoDEmanX, dairin0d, PKHG,
# Valter, ...
# Other: Frank Palmino
#
bl_info = {
"name": "Atomic Blender - PDB",
"description": "Loading and manipulating atoms from PDB files",
"author": "Clemens Barth",
"version": (1,5),
"blender": (2,6),
"location": "File -> Import -> PDB (.pdb)",
"warning": "",
"wiki_url": "http://wiki.blender.org/index.php/Extensions:2.6/"
"Py/Scripts/Import-Export/PDB",
"tracker_url": "http://projects.blender.org/tracker/"
"index.php?func=detail&aid=29226",
"category": "Import-Export"
}
import bpy
from bpy.types import Operator
from bpy_extras.io_utils import ImportHelper, ExportHelper
from bpy.props import (StringProperty,
BoolProperty,
EnumProperty,
IntProperty,
FloatProperty)
from . import import_pdb
from . import export_pdb
# -----------------------------------------------------------------------------
# GUI
# This is the class for the file dialog of the importer.
class ImportPDB(Operator, ImportHelper):
bl_idname = "import_mesh.pdb"
bl_label = "Import Protein Data Bank(*.pdb)"
bl_options = {'PRESET', 'UNDO'}
filename_ext = ".pdb"
filter_glob = StringProperty(default="*.pdb", 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_sticks = BoolProperty(
name="Use sticks", default=True,
description="Do you want to display the sticks?")
sticks_sectors = IntProperty(
name = "Sector", default=20, min=1,
description="Number of sectors of a stick")
sticks_radius = FloatProperty(
name = "Radius", default=0.1, min=0.0001,
description ="Radius of a stick")
sticks_unit_length = FloatProperty(
name = "Unit", default=0.05, min=0.0001,
description = "Length of the unit of a stick in Angstrom")
use_sticks_color = BoolProperty(
name="Color", default=True,
description="The sticks appear in the color of the atoms")
use_sticks_smooth = BoolProperty(
name="Smooth", default=False,
description="The sticks are round (sectors are not visible)")
use_sticks_bonds = BoolProperty(
name="Bonds", default=False,
description="Show double and tripple bonds.")
sticks_dist = FloatProperty(
name="Distance", default = 1.1, min=1.0, max=3.0,
description="Distance between sticks measured in stick diameter")
use_center = BoolProperty(
name = "Object to origin", default=True,
description = "Put the object into the global origin")
datafile = StringProperty(
name = "", description="Path to your custom data file",
maxlen = 256, default = "", subtype='FILE_PATH')
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, "atomradius")
row = layout.row()
col = row.column()
col.prop(self, "use_sticks")
row = layout.row()
row.active = self.use_sticks
col = row.column()
col.prop(self, "sticks_sectors")
col.prop(self, "sticks_radius")
col.prop(self, "sticks_unit_length")
col = row.column(align=True)
col.prop(self, "use_sticks_color")
col.prop(self, "use_sticks_smooth")
col.prop(self, "use_sticks_bonds")
row = layout.row()
row.active = self.use_sticks
col = row.column(align=True)
col = row.column(align=True)
col.active = self.use_sticks and self.use_sticks_bonds
col.prop(self, "sticks_dist")
row = layout.row()
row.prop(self, "use_center")
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.import_pdb(
self.ball,
self.mesh_azimuth,
self.mesh_zenith,
self.scale_ballradius,
self.atomradius,
self.scale_distances,
self.use_sticks,
self.use_sticks_color,
self.use_sticks_smooth,
self.use_sticks_bonds,
self.sticks_unit_length,
self.sticks_dist,
self.sticks_sectors,
self.sticks_radius,
self.use_center,
self.use_camera,
self.use_lamp,
filepath_pdb)
return {'FINISHED'}
# This is the class for the file dialog of the exporter.
class ExportPDB(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',)
def draw(self, context):
layout = self.layout
row = layout.row()
row.prop(self, "atom_pdb_export_type")
def execute(self, context):
export_pdb.export_pdb(self.atom_pdb_export_type,
bpy.path.abspath(self.filepath))
return {'FINISHED'}
# The entry into the menu 'file -> import'
def menu_func_import(self, context):
self.layout.operator(ImportPDB.bl_idname, text="Protein Data Bank (.pdb)")
# The entry into the menu 'file -> export'
def menu_func_export(self, context):
self.layout.operator(ExportPDB.bl_idname, text="Protein Data Bank (.pdb)")
def register():
bpy.utils.register_module(__name__)
bpy.types.INFO_MT_file_import.append(menu_func_import)
bpy.types.INFO_MT_file_export.append(menu_func_export)
def unregister():
bpy.utils.unregister_module(__name__)
bpy.types.INFO_MT_file_import.remove(menu_func_import)
bpy.types.INFO_MT_file_export.remove(menu_func_export)
if __name__ == "__main__":
register()