__init__.py

# ##### 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.
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# ##### 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, Panel
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?")
    use_mesh = BoolProperty(
        name = "Mesh balls", default=False,
        description = "Use mesh balls instead of NURBS")
    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, "use_mesh")
        col = row.column(align=True)
        col.active = self.use_mesh
        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                
        atom_number = import_pdb.import_pdb(
                      self.use_mesh,
                      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()