io_mesh_atomic/pdb_gui.py

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   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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  10 #  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  11 #  GNU General Public License for more details.
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  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 import bpy
  20 from bpy.types import Operator, AddonPreferences
  21 from bpy_extras.io_utils import ImportHelper, ExportHelper
  22 from bpy.props import (
  23         StringProperty,
  24         BoolProperty,
  25         EnumProperty,
  26         IntProperty,
  27         FloatProperty,
  28         )
  29
  30 from io_mesh_atomic.pdb_import import import_pdb
  31 from io_mesh_atomic.pdb_export import export_pdb
  32
  33 # -----------------------------------------------------------------------------
  34 #                                                                     Operators
  35
  36 # This is the class for the file dialog of the importer.
  37 class IMPORT_OT_pdb(Operator, ImportHelper):
  38     bl_idname = "import_mesh.pdb"
  39     bl_label  = "Import Protein Data Bank(*.pdb)"
  40     bl_options = {'PRESET', 'UNDO'}
  41
  42     filename_ext = ".pdb"
  43     filter_glob: StringProperty(default="*.pdb", options={'HIDDEN'},)
  44
  45     use_center: BoolProperty(
  46         name = "Object to origin", default=True,
  47         description = "Put the object into the global origin")
  48     use_camera: BoolProperty(
  49         name="Camera", default=False,
  50         description="Do you need a camera?")
  51     use_light: BoolProperty(
  52         name="Lamp", default=False,
  53         description = "Do you need a lamp?")
  54     ball: EnumProperty(
  55         name="Type of ball",
  56         description="Choose ball",
  57         items=(('0', "NURBS", "NURBS balls"),
  58                ('1', "Mesh" , "Mesh balls"),
  59                ('2', "Meta" , "Metaballs")),
  60                default='0',)
  61     mesh_azimuth: IntProperty(
  62         name = "Azimuth", default=32, min=1,
  63         description = "Number of sectors (azimuth)")
  64     mesh_zenith: IntProperty(
  65         name = "Zenith", default=32, min=1,
  66         description = "Number of sectors (zenith)")
  67     scale_ballradius: FloatProperty(
  68         name = "Balls", default=1.0, min=0.0001,
  69         description = "Scale factor for all atom radii")
  70     scale_distances: FloatProperty (
  71         name = "Distances", default=1.0, min=0.0001,
  72         description = "Scale factor for all distances")
  73     atomradius: EnumProperty(
  74         name="Type",
  75         description="Choose type of atom radius",
  76         items=(('0', "Pre-defined", "Use pre-defined radius"),
  77                ('1', "Atomic", "Use atomic radius"),
  78                ('2', "van der Waals", "Use van der Waals radius")),
  79                default='0',)
  80     use_sticks: BoolProperty(
  81         name="Use sticks", default=True,
  82         description="Do you want to display the sticks?")
  83     use_sticks_type: EnumProperty(
  84         name="Type",
  85         description="Choose type of stick",
  86         items=(('0', "Dupliverts", "Use dupliverts structures"),
  87                ('1', "Skin", "Use skin and subdivision modifier"),
  88                ('2', "Normal", "Use simple cylinders")),
  89                default='0',)
  90     sticks_subdiv_view: IntProperty(
  91         name = "SubDivV", default=2, min=1,
  92         description="Number of subdivisions (view)")
  93     sticks_subdiv_render: IntProperty(
  94         name = "SubDivR", default=2, min=1,
  95         description="Number of subdivisions (render)")
  96     sticks_sectors: IntProperty(
  97         name = "Sector", default=20, min=1,
  98         description="Number of sectors of a stick")
  99     sticks_radius: FloatProperty(
 100         name = "Radius", default=0.2, min=0.0001,
 101         description ="Radius of a stick")
 102     sticks_unit_length: FloatProperty(
 103         name = "Unit", default=0.05, min=0.0001,
 104         description = "Length of the unit of a stick in Angstrom")
 105     use_sticks_color: BoolProperty(
 106         name="Color", default=True,
 107         description="The sticks appear in the color of the atoms")
 108     use_sticks_smooth: BoolProperty(
 109         name="Smooth", default=True,
 110         description="The sticks are round (sectors are not visible)")
 111     use_sticks_bonds: BoolProperty(
 112         name="Bonds", default=False,
 113         description="Show double and triple bonds")
 114     sticks_dist: FloatProperty(
 115         name="", default = 1.1, min=1.0, max=3.0,
 116         description="Distance between sticks measured in stick diameter")
 117     use_sticks_one_object: BoolProperty(
 118         name="One object", default=False,
 119         description="All sticks are one object")
 120     use_sticks_one_object_nr: IntProperty(
 121         name = "No.", default=200, min=10,
 122         description="Number of sticks to be grouped at once")
 123     datafile: StringProperty(
 124         name = "", description="Path to your custom data file",
 125         maxlen = 256, default = "", subtype='FILE_PATH')
 126
 127     # This thing here just guarantees that the menu entry is not active when the
 128     # check box in the addon preferences is not activated! See __init__.py
 129     @classmethod
 130     def poll(cls, context):
 131         pref = context.preferences
 132         return pref.addons[__package__].preferences.bool_pdb
 133
 134     def draw(self, context):
 135         layout = self.layout
 136         row = layout.row()
 137         row.prop(self, "use_camera")
 138         row.prop(self, "use_light")
 139         row = layout.row()
 140         row.prop(self, "use_center")
 141         # Balls
 142         box = layout.box()
 143         row = box.row()
 144         row.label(text="Balls / atoms")
 145         row = box.row()
 146         col = row.column()
 147         col.prop(self, "ball")
 148         row = box.row()
 149         row.active = (self.ball == "1")
 150         col = row.column(align=True)
 151         col.prop(self, "mesh_azimuth")
 152         col.prop(self, "mesh_zenith")
 153         row = box.row()
 154         col = row.column()
 155         col.label(text="Scaling factors")
 156         col = row.column(align=True)
 157         col.prop(self, "scale_ballradius")
 158         col.prop(self, "scale_distances")
 159         row = box.row()
 160         row.prop(self, "atomradius")
 161         # Sticks
 162         box = layout.box()
 163         row = box.row()
 164         row.label(text="Sticks / bonds")
 165         row = box.row()
 166         row.prop(self, "use_sticks")
 167         row = box.row()
 168         row.active = self.use_sticks
 169         row.prop(self, "use_sticks_type")
 170         row = box.row()
 171         row.active = self.use_sticks
 172         col = row.column()
 173         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 174             col.prop(self, "sticks_sectors")
 175         col.prop(self, "sticks_radius")
 176         if self.use_sticks_type == '1':
 177             row = box.row()
 178             row.active = self.use_sticks
 179             row.prop(self, "sticks_subdiv_view")
 180             row.prop(self, "sticks_subdiv_render")
 181             row = box.row()
 182             row.active = self.use_sticks
 183         if self.use_sticks_type == '0':
 184             col.prop(self, "sticks_unit_length")
 185         col = row.column(align=True)
 186         if self.use_sticks_type == '0':
 187             col.prop(self, "use_sticks_color")
 188         col.prop(self, "use_sticks_smooth")
 189         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 190             col.prop(self, "use_sticks_bonds")
 191         row = box.row()
 192         if self.use_sticks_type == '0':
 193             row.active = self.use_sticks and self.use_sticks_bonds
 194             row.label(text="Distance")
 195             row.prop(self, "sticks_dist")
 196         if self.use_sticks_type == '2':
 197             row.active = self.use_sticks
 198             col = row.column()
 199             col.prop(self, "use_sticks_one_object")
 200             col = row.column()
 201             col.active = self.use_sticks_one_object
 202             col.prop(self, "use_sticks_one_object_nr")
 203
 204
 205     def execute(self, context):
 206         # This is in order to solve this strange 'relative path' thing.
 207         filepath_pdb = bpy.path.abspath(self.filepath)
 208
 209         # Execute main routine
 210         import_pdb(self.ball,
 211                    self.mesh_azimuth,
 212                    self.mesh_zenith,
 213                    self.scale_ballradius,
 214                    self.atomradius,
 215                    self.scale_distances,
 216                    self.use_sticks,
 217                    self.use_sticks_type,
 218                    self.sticks_subdiv_view,
 219                    self.sticks_subdiv_render,
 220                    self.use_sticks_color,
 221                    self.use_sticks_smooth,
 222                    self.use_sticks_bonds,
 223                    self.use_sticks_one_object,
 224                    self.use_sticks_one_object_nr,
 225                    self.sticks_unit_length,
 226                    self.sticks_dist,
 227                    self.sticks_sectors,
 228                    self.sticks_radius,
 229                    self.use_center,
 230                    self.use_camera,
 231                    self.use_light,
 232                    filepath_pdb)
 233
 234         return {'FINISHED'}
 235
 236
 237 # This is the class for the file dialog of the exporter.
 238 class EXPORT_OT_pdb(Operator, ExportHelper):
 239     bl_idname = "export_mesh.pdb"
 240     bl_label  = "Export Protein Data Bank(*.pdb)"
 241     filename_ext = ".pdb"
 242
 243     filter_glob: StringProperty(
 244         default="*.pdb", options={'HIDDEN'},)
 245
 246     atom_pdb_export_type: EnumProperty(
 247         name="Type of Objects",
 248         description="Choose type of objects",
 249         items=(('0', "All", "Export all active objects"),
 250                ('1', "Elements", "Export only those active objects which have"
 251                                  " a proper element name")),
 252                default='1',)
 253
 254     # This thing here just guarantees that the menu entry is not active when the
 255     # check box in the addon preferences is not activated! See __init__.py
 256     @classmethod
 257     def poll(cls, context):
 258         pref = context.preferences
 259         return pref.addons[__package__].preferences.bool_pdb
 260
 261     def draw(self, context):
 262         layout = self.layout
 263         row = layout.row()
 264         row.prop(self, "atom_pdb_export_type")
 265
 266     def execute(self, context):
 267         export_pdb(self.atom_pdb_export_type,
 268                    bpy.path.abspath(self.filepath))
 269
 270         return {'FINISHED'}