io_mesh_pdb/__init__.py

   1 # ##### BEGIN GPL LICENSE BLOCK #####
   2 #
   3 #  This program is free software; you can redistribute it and/or
   4 #  modify it under the terms of the GNU General Public License
   5 #  as published by the Free Software Foundation; either version 2
   6 #  of the License, or (at your option) any later version.
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   8 #  This program is distributed in the hope that it will be useful,
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  11 #  GNU General Public License for more details.
  12 #
  13 #  You should have received a copy of the GNU General Public License
  14 #  along with this program; if not, write to the Free Software Foundation,
  15 #  Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
  16 #
  17 # ##### END GPL LICENSE BLOCK #####
  18
  19 #
  20 #
  21 #  Authors           : Clemens Barth (Blendphys@root-1.de), ...
  22 #
  23 #  Homepage(Wiki)    : http://development.root-1.de/Atomic_Blender.php
  24 #
  25 #  Start of project              : 2011-08-31 by Clemens Barth
  26 #  First publication in Blender  : 2011-11-11
  27 #  Last modified                 : 2014-08-19
  28 #
  29 #  Acknowledgements
  30 #  ================
  31 #  Blender: ideasman, meta_androcto, truman, kilon, CoDEmanX, dairin0d, PKHG,
  32 #           Valter, ...
  33 #  Other  : Frank Palmino
  34 #
  35 #
  36
  37 bl_info = {
  38     "name": "Atomic Blender - PDB",
  39     "description": "Loading and manipulating atoms from PDB files",
  40     "author": "Clemens Barth",
  41     "version": (1, 7),
  42     "blender": (2, 71, 0),
  43     "location": "File -> Import -> PDB (.pdb)",
  44     "warning": "",
  45     "wiki_url": "http://wiki.blender.org/index.php/Extensions:2.6/Py/"
  46                 "Scripts/Import-Export/PDB",
  47     "category": "Import-Export",
  48 }
  49
  50
  51 import bpy
  52 from bpy.types import Operator
  53 from bpy_extras.io_utils import ImportHelper, ExportHelper
  54 from bpy.props import (
  55         StringProperty,
  56         BoolProperty,
  57         EnumProperty,
  58         IntProperty,
  59         FloatProperty,
  60         )
  61
  62 from . import (
  63         import_pdb,
  64         export_pdb,
  65         )
  66
  67 # -----------------------------------------------------------------------------
  68 #                                                                           GUI
  69
  70 # This is the class for the file dialog of the importer.
  71 class ImportPDB(Operator, ImportHelper):
  72     bl_idname = "import_mesh.pdb"
  73     bl_label  = "Import Protein Data Bank(*.pdb)"
  74     bl_options = {'PRESET', 'UNDO'}
  75
  76     filename_ext = ".pdb"
  77     filter_glob  = StringProperty(default="*.pdb", options={'HIDDEN'},)
  78
  79     use_center = BoolProperty(
  80         name = "Object to origin", default=True,
  81         description = "Put the object into the global origin")
  82     use_camera = BoolProperty(
  83         name="Camera", default=False,
  84         description="Do you need a camera?")
  85     use_light = BoolProperty(
  86         name="Lamp", default=False,
  87         description = "Do you need a lamp?")
  88     ball = EnumProperty(
  89         name="Type of ball",
  90         description="Choose ball",
  91         items=(('0', "NURBS", "NURBS balls"),
  92                ('1', "Mesh" , "Mesh balls"),
  93                ('2', "Meta" , "Metaballs")),
  94                default='0',)
  95     mesh_azimuth = IntProperty(
  96         name = "Azimuth", default=32, min=1,
  97         description = "Number of sectors (azimuth)")
  98     mesh_zenith = IntProperty(
  99         name = "Zenith", default=32, min=1,
 100         description = "Number of sectors (zenith)")
 101     scale_ballradius = FloatProperty(
 102         name = "Balls", default=1.0, min=0.0001,
 103         description = "Scale factor for all atom radii")
 104     scale_distances = FloatProperty (
 105         name = "Distances", default=1.0, min=0.0001,
 106         description = "Scale factor for all distances")
 107     atomradius = EnumProperty(
 108         name="Type",
 109         description="Choose type of atom radius",
 110         items=(('0', "Pre-defined", "Use pre-defined radius"),
 111                ('1', "Atomic", "Use atomic radius"),
 112                ('2', "van der Waals", "Use van der Waals radius")),
 113                default='0',)
 114     use_sticks = BoolProperty(
 115         name="Use sticks", default=True,
 116         description="Do you want to display the sticks?")
 117     use_sticks_type = EnumProperty(
 118         name="Type",
 119         description="Choose type of stick",
 120         items=(('0', "Dupliverts", "Use dupliverts structures"),
 121                ('1', "Skin", "Use skin and subdivision modifier"),
 122                ('2', "Normal", "Use simple cylinders")),
 123                default='0',)
 124     sticks_subdiv_view  = IntProperty(
 125         name = "SubDivV", default=2, min=1,
 126         description="Number of subdivisions (view)")
 127     sticks_subdiv_render  = IntProperty(
 128         name = "SubDivR", default=2, min=1,
 129         description="Number of subdivisions (render)")
 130     sticks_sectors = IntProperty(
 131         name = "Sector", default=20, min=1,
 132         description="Number of sectors of a stick")
 133     sticks_radius = FloatProperty(
 134         name = "Radius", default=0.2, min=0.0001,
 135         description ="Radius of a stick")
 136     sticks_unit_length = FloatProperty(
 137         name = "Unit", default=0.05, min=0.0001,
 138         description = "Length of the unit of a stick in Angstrom")
 139     use_sticks_color = BoolProperty(
 140         name="Color", default=True,
 141         description="The sticks appear in the color of the atoms")
 142     use_sticks_smooth = BoolProperty(
 143         name="Smooth", default=True,
 144         description="The sticks are round (sectors are not visible)")
 145     use_sticks_bonds = BoolProperty(
 146         name="Bonds", default=False,
 147         description="Show double and tripple bonds")
 148     sticks_dist = FloatProperty(
 149         name="", default = 1.1, min=1.0, max=3.0,
 150         description="Distance between sticks measured in stick diameter")
 151     use_sticks_one_object = BoolProperty(
 152         name="One object", default=True,
 153         description="All sticks are one object")
 154     use_sticks_one_object_nr = IntProperty(
 155         name = "No.", default=200, min=10,
 156         description="Number of sticks to be grouped at once")
 157     datafile = StringProperty(
 158         name = "", description="Path to your custom data file",
 159         maxlen = 256, default = "", subtype='FILE_PATH')
 160
 161     def draw(self, context):
 162         layout = self.layout
 163         row = layout.row()
 164         row.prop(self, "use_camera")
 165         row.prop(self, "use_light")
 166         row = layout.row()
 167         row.prop(self, "use_center")
 168         # Balls
 169         box = layout.box()
 170         row = box.row()
 171         row.label(text="Balls / atoms")
 172         row = box.row()
 173         col = row.column()
 174         col.prop(self, "ball")
 175         row = box.row()
 176         row.active = (self.ball == "1")
 177         col = row.column(align=True)
 178         col.prop(self, "mesh_azimuth")
 179         col.prop(self, "mesh_zenith")
 180         row = box.row()
 181         col = row.column()
 182         col.label(text="Scaling factors")
 183         col = row.column(align=True)
 184         col.prop(self, "scale_ballradius")
 185         col.prop(self, "scale_distances")
 186         row = box.row()
 187         row.prop(self, "atomradius")
 188         # Sticks
 189         box = layout.box()
 190         row = box.row()
 191         row.label(text="Sticks / bonds")
 192         row = box.row()
 193         row.prop(self, "use_sticks")
 194         row = box.row()
 195         row.active = self.use_sticks
 196         row.prop(self, "use_sticks_type")
 197         row = box.row()
 198         row.active = self.use_sticks
 199         col = row.column()
 200         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 201             col.prop(self, "sticks_sectors")
 202         col.prop(self, "sticks_radius")
 203         if self.use_sticks_type == '1':
 204             row = box.row()
 205             row.active = self.use_sticks
 206             row.prop(self, "sticks_subdiv_view")
 207             row.prop(self, "sticks_subdiv_render")
 208             row = box.row()
 209             row.active = self.use_sticks
 210         if self.use_sticks_type == '0':
 211             col.prop(self, "sticks_unit_length")
 212         col = row.column(align=True)
 213         if self.use_sticks_type == '0':
 214             col.prop(self, "use_sticks_color")
 215         col.prop(self, "use_sticks_smooth")
 216         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 217             col.prop(self, "use_sticks_bonds")
 218         row = box.row()
 219         if self.use_sticks_type == '0':
 220             row.active = self.use_sticks and self.use_sticks_bonds
 221             row.label(text="Distance")
 222             row.prop(self, "sticks_dist")
 223         if self.use_sticks_type == '2':
 224             row.active = self.use_sticks
 225             col = row.column()
 226             col.prop(self, "use_sticks_one_object")
 227             col = row.column()
 228             col.active = self.use_sticks_one_object
 229             col.prop(self, "use_sticks_one_object_nr")
 230
 231
 232     def execute(self, context):
 233         # This is in order to solve this strange 'relative path' thing.
 234         filepath_pdb = bpy.path.abspath(self.filepath)
 235
 236         # Execute main routine
 237         import_pdb.import_pdb(
 238                       self.ball,
 239                       self.mesh_azimuth,
 240                       self.mesh_zenith,
 241                       self.scale_ballradius,
 242                       self.atomradius,
 243                       self.scale_distances,
 244                       self.use_sticks,
 245                       self.use_sticks_type,
 246                       self.sticks_subdiv_view,
 247                       self.sticks_subdiv_render,
 248                       self.use_sticks_color,
 249                       self.use_sticks_smooth,
 250                       self.use_sticks_bonds,
 251                       self.use_sticks_one_object,
 252                       self.use_sticks_one_object_nr,
 253                       self.sticks_unit_length,
 254                       self.sticks_dist,
 255                       self.sticks_sectors,
 256                       self.sticks_radius,
 257                       self.use_center,
 258                       self.use_camera,
 259                       self.use_light,
 260                       filepath_pdb)
 261
 262         return {'FINISHED'}
 263
 264
 265 # This is the class for the file dialog of the exporter.
 266 class ExportPDB(Operator, ExportHelper):
 267     bl_idname = "export_mesh.pdb"
 268     bl_label  = "Export Protein Data Bank(*.pdb)"
 269     filename_ext = ".pdb"
 270
 271     filter_glob  = StringProperty(
 272         default="*.pdb", options={'HIDDEN'},)
 273
 274     atom_pdb_export_type = EnumProperty(
 275         name="Type of Objects",
 276         description="Choose type of objects",
 277         items=(('0', "All", "Export all active objects"),
 278                ('1', "Elements", "Export only those active objects which have"
 279                                  " a proper element name")),
 280                default='1',)
 281
 282     def draw(self, context):
 283         layout = self.layout
 284         row = layout.row()
 285         row.prop(self, "atom_pdb_export_type")
 286
 287     def execute(self, context):
 288         export_pdb.export_pdb(self.atom_pdb_export_type,
 289                               bpy.path.abspath(self.filepath))
 290
 291         return {'FINISHED'}
 292
 293
 294 # The entry into the menu 'file -> import'
 295 def menu_func_import(self, context):
 296     self.layout.operator(ImportPDB.bl_idname, text="Protein Data Bank (.pdb)")
 297
 298 # The entry into the menu 'file -> export'
 299 def menu_func_export(self, context):
 300     self.layout.operator(ExportPDB.bl_idname, text="Protein Data Bank (.pdb)")
 301
 302 def register():
 303     bpy.utils.register_module(__name__)
 304     bpy.types.INFO_MT_file_import.append(menu_func_import)
 305     bpy.types.INFO_MT_file_export.append(menu_func_export)
 306
 307 def unregister():
 308     bpy.utils.unregister_module(__name__)
 309     bpy.types.INFO_MT_file_import.remove(menu_func_import)
 310     bpy.types.INFO_MT_file_export.remove(menu_func_export)
 311
 312 if __name__ == "__main__":
 313
 314     register()