io_mesh_atomic/pdb_gui.py

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