io_mesh_atomic/pdb_gui.py

   1 # SPDX-FileCopyrightText: 2019-2023 Blender Foundation
   2 #
   3 # SPDX-License-Identifier: GPL-2.0-or-later
   4
   5 import bpy
   6 from bpy.types import Operator, AddonPreferences
   7 from bpy_extras.io_utils import ImportHelper, ExportHelper
   8 from bpy.props import (
   9         StringProperty,
  10         BoolProperty,
  11         EnumProperty,
  12         IntProperty,
  13         FloatProperty,
  14         )
  15
  16 from io_mesh_atomic.pdb_import import import_pdb
  17 from io_mesh_atomic.pdb_export import export_pdb
  18
  19 # -----------------------------------------------------------------------------
  20 #                                                                     Operators
  21
  22 # This is the class for the file dialog of the importer.
  23 class IMPORT_OT_pdb(Operator, ImportHelper):
  24     bl_idname = "import_mesh.pdb"
  25     bl_label  = "Import Protein Data Bank(*.pdb)"
  26     bl_options = {'PRESET', 'UNDO'}
  27
  28     filename_ext = ".pdb"
  29     filter_glob: StringProperty(default="*.pdb", options={'HIDDEN'},)
  30
  31     use_center: BoolProperty(
  32         name = "Object to origin", default=True,
  33         description = "Put the object into the global origin")
  34     use_camera: BoolProperty(
  35         name="Camera", default=False,
  36         description="Do you need a camera?")
  37     use_light: BoolProperty(
  38         name="Lamp", default=False,
  39         description = "Do you need a lamp?")
  40     ball: EnumProperty(
  41         name="Type of ball",
  42         description="Choose ball",
  43         items=(('0', "NURBS", "NURBS balls"),
  44                ('1', "Mesh" , "Mesh balls"),
  45                ('2', "Meta" , "Metaballs")),
  46                default='0',)
  47     mesh_azimuth: IntProperty(
  48         name = "Azimuth", default=32, min=1,
  49         description = "Number of sectors (azimuth)")
  50     mesh_zenith: IntProperty(
  51         name = "Zenith", default=32, min=1,
  52         description = "Number of sectors (zenith)")
  53     scale_ballradius: FloatProperty(
  54         name = "Balls", default=1.0, min=0.0001,
  55         description = "Scale factor for all atom radii")
  56     scale_distances: FloatProperty (
  57         name = "Distances", default=1.0, min=0.0001,
  58         description = "Scale factor for all distances")
  59     atomradius: EnumProperty(
  60         name="Type",
  61         description="Choose type of atom radius",
  62         items=(('0', "Pre-defined", "Use pre-defined radius"),
  63                ('1', "Atomic", "Use atomic radius"),
  64                ('2', "van der Waals", "Use van der Waals radius")),
  65                default='0',)
  66     use_sticks: BoolProperty(
  67         name="Use sticks", default=True,
  68         description="Do you want to display the sticks?")
  69     use_sticks_type: EnumProperty(
  70         name="Type",
  71         description="Choose type of stick",
  72         items=(('0', "Dupliverts", "Use dupliverts structures"),
  73                ('1', "Skin", "Use skin and subdivision modifier"),
  74                ('2', "Normal", "Use simple cylinders")),
  75                default='0',)
  76     sticks_subdiv_view: IntProperty(
  77         name = "SubDivV", default=2, min=1,
  78         description="Number of subdivisions (view)")
  79     sticks_subdiv_render: IntProperty(
  80         name = "SubDivR", default=2, min=1,
  81         description="Number of subdivisions (render)")
  82     sticks_sectors: IntProperty(
  83         name = "Sector", default=20, min=1,
  84         description="Number of sectors of a stick")
  85     sticks_radius: FloatProperty(
  86         name = "Radius", default=0.2, min=0.0001,
  87         description ="Radius of a stick")
  88     sticks_unit_length: FloatProperty(
  89         name = "Unit", default=0.05, min=0.0001,
  90         description = "Length of the unit of a stick in Angstrom")
  91     use_sticks_color: BoolProperty(
  92         name="Color", default=True,
  93         description="The sticks appear in the color of the atoms")
  94     use_sticks_smooth: BoolProperty(
  95         name="Smooth", default=True,
  96         description="The sticks are round (sectors are not visible)")
  97     use_sticks_bonds: BoolProperty(
  98         name="Bonds", default=False,
  99         description="Show double and triple bonds")
 100     sticks_dist: FloatProperty(
 101         name="", default = 0.8, min=0.0, max=3.0,
 102         description="Distance between sticks (double or tripple bonds) measured in stick diameter")
 103     use_sticks_one_object: BoolProperty(
 104         name="One object", default=False,
 105         description="All sticks are one object")
 106     use_sticks_one_object_nr: IntProperty(
 107         name = "No.", default=200, min=10,
 108         description="Number of sticks to be grouped at once")
 109     datafile: StringProperty(
 110         name = "", description="Path to your custom data file",
 111         maxlen = 256, default = "", subtype='FILE_PATH')
 112
 113     # This thing here just guarantees that the menu entry is not active when the
 114     # check box in the addon preferences is not activated! See __init__.py
 115     @classmethod
 116     def poll(cls, context):
 117         pref = context.preferences
 118         return pref.addons[__package__].preferences.bool_pdb
 119
 120     def draw(self, context):
 121         layout = self.layout
 122         row = layout.row()
 123         row.prop(self, "use_camera")
 124         row.prop(self, "use_light")
 125         row = layout.row()
 126         row.prop(self, "use_center")
 127         # Balls
 128         box = layout.box()
 129         row = box.row()
 130         row.label(text="Balls / atoms")
 131         row = box.row()
 132         col = row.column()
 133         col.prop(self, "ball")
 134         row = box.row()
 135         row.active = (self.ball == "1")
 136         col = row.column(align=True)
 137         col.prop(self, "mesh_azimuth")
 138         col.prop(self, "mesh_zenith")
 139         row = box.row()
 140         col = row.column()
 141         col.label(text="Scaling factors")
 142         col = row.column(align=True)
 143         col.prop(self, "scale_ballradius")
 144         col.prop(self, "scale_distances")
 145         row = box.row()
 146         row.prop(self, "atomradius")
 147         # Sticks
 148         box = layout.box()
 149         row = box.row()
 150         row.label(text="Sticks / bonds")
 151         row = box.row()
 152         row.prop(self, "use_sticks")
 153         row = box.row()
 154         row.active = self.use_sticks
 155         row.prop(self, "use_sticks_type")
 156         row = box.row()
 157         row.active = self.use_sticks
 158         col = row.column()
 159         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 160             col.prop(self, "sticks_sectors")
 161         col.prop(self, "sticks_radius")
 162         if self.use_sticks_type == '1':
 163             row = box.row()
 164             row.active = self.use_sticks
 165             row.prop(self, "sticks_subdiv_view")
 166             row.prop(self, "sticks_subdiv_render")
 167             row = box.row()
 168             row.active = self.use_sticks
 169         if self.use_sticks_type == '0':
 170             col.prop(self, "sticks_unit_length")
 171         col = row.column(align=True)
 172         if self.use_sticks_type == '0':
 173             col.prop(self, "use_sticks_color")
 174         col.prop(self, "use_sticks_smooth")
 175         if self.use_sticks_type == '0' or self.use_sticks_type == '2':
 176             col.prop(self, "use_sticks_bonds")
 177         row = box.row()
 178         if self.use_sticks_type == '0':
 179             row.active = self.use_sticks and self.use_sticks_bonds
 180             row.label(text="Distance")
 181             row.prop(self, "sticks_dist")
 182         if self.use_sticks_type == '2':
 183             row.active = self.use_sticks
 184             col = row.column()
 185             col.prop(self, "use_sticks_one_object")
 186             col = row.column()
 187             col.active = self.use_sticks_one_object
 188             col.prop(self, "use_sticks_one_object_nr")
 189             row = box.row()
 190             row.active = self.use_sticks and self.use_sticks_bonds
 191             row.label(text="Distance")
 192             row.prop(self, "sticks_dist")
 193
 194     def execute(self, context):
 195         # Switch to 'OBJECT' mode when in 'EDIT' mode.
 196         if bpy.context.mode == 'EDIT_MESH':
 197             bpy.ops.object.mode_set(mode='OBJECT', toggle=False)
 198
 199         # This is in order to solve this strange 'relative path' thing.
 200         filepath_pdb = bpy.path.abspath(self.filepath)
 201
 202         # Execute main routine
 203         import_pdb(self.ball,
 204                    self.mesh_azimuth,
 205                    self.mesh_zenith,
 206                    self.scale_ballradius,
 207                    self.atomradius,
 208                    self.scale_distances,
 209                    self.use_sticks,
 210                    self.use_sticks_type,
 211                    self.sticks_subdiv_view,
 212                    self.sticks_subdiv_render,
 213                    self.use_sticks_color,
 214                    self.use_sticks_smooth,
 215                    self.use_sticks_bonds,
 216                    self.use_sticks_one_object,
 217                    self.use_sticks_one_object_nr,
 218                    self.sticks_unit_length,
 219                    self.sticks_dist,
 220                    self.sticks_sectors,
 221                    self.sticks_radius,
 222                    self.use_center,
 223                    self.use_camera,
 224                    self.use_light,
 225                    filepath_pdb)
 226
 227         return {'FINISHED'}
 228
 229
 230 # This is the class for the file dialog of the exporter.
 231 class EXPORT_OT_pdb(Operator, ExportHelper):
 232     bl_idname = "export_mesh.pdb"
 233     bl_label  = "Export Protein Data Bank(*.pdb)"
 234     filename_ext = ".pdb"
 235
 236     filter_glob: StringProperty(
 237         default="*.pdb", options={'HIDDEN'},)
 238
 239     atom_pdb_export_type: EnumProperty(
 240         name="Type of Objects",
 241         description="Choose type of objects",
 242         items=(('0', "All", "Export all active objects"),
 243                ('1', "Elements", "Export only those active objects which have"
 244                                  " a proper element name")),
 245                default='1',)
 246
 247     # This thing here just guarantees that the menu entry is not active when the
 248     # check box in the addon preferences is not activated! See __init__.py
 249     @classmethod
 250     def poll(cls, context):
 251         pref = context.preferences
 252         return pref.addons[__package__].preferences.bool_pdb
 253
 254     def draw(self, context):
 255         layout = self.layout
 256         row = layout.row()
 257         row.prop(self, "atom_pdb_export_type")
 258
 259     def execute(self, context):
 260         export_pdb(self.atom_pdb_export_type,
 261                    bpy.path.abspath(self.filepath))
 262
 263         return {'FINISHED'}