From 6fd9329c5b115c883dc9cc64e96be2b4d899b86e Mon Sep 17 00:00:00 2001
From: Clemens Barth <barth@root-1.de>
Date: Wed, 21 Mar 2012 21:50:24 +0000
Subject: [PATCH] Attention: big changes in __init__.py, almost no changes in
import_pdb.py and export_pdb.py
1. With respect to the propositions made by Campbell and Sebastian
(see http://projects.blender.org/tracker/?func=detail&group_id=153&aid=29226&atid=469)
I changed the code. The PDB IO has now the preset option in the file dialog
of the importer and exporter.
2. Furthermore, I have put all properties into one group, which is located
in bpy.contect.scene.
3. Some code cleaning
Soon, I will put in a new option (next days): the user can decide whether the
panel is always, once or never shown after a PDB file is loaded. Note that
the panel is essential for me and also my students. It helps quickly modifying
PDB structures.
Blendphys
---
io_mesh_pdb/__init__.py | 459 +++++++++++++++++++++-----------------
io_mesh_pdb/export_pdb.py | 2 +-
io_mesh_pdb/import_pdb.py | 2 +-
3 files changed, 258 insertions(+), 205 deletions(-)
diff --git a/io_mesh_pdb/__init__.py b/io_mesh_pdb/__init__.py
index c32382f44..539c299bc 100644
--- a/io_mesh_pdb/__init__.py
+++ b/io_mesh_pdb/__init__.py
@@ -71,94 +71,89 @@ class CLASS_atom_pdb_panel(Panel):
def draw(self, context):
layout = self.layout
- scn = bpy.context.scene
+ scn = context.scene.atom_pdb[0]
row = layout.row()
row.label(text="Outputs and custom data file")
-
box = layout.box()
row = box.row()
row.label(text="Custom data file")
row = box.row()
col = row.column()
- col.prop(scn, "atom_pdb_datafile")
+ col.prop(scn, "datafile")
col.operator("atom_pdb.datafile_apply")
row = box.row()
col = row.column(align=True)
- col.prop(scn, "atom_pdb_PDB_file")
-
+ col.prop(scn, "PDB_file")
row = layout.row()
row.label(text="Reload structure")
-
box = layout.box()
row = box.row()
col = row.column()
- col.prop(scn, "use_atom_pdb_mesh")
+ col.prop(scn, "use_mesh")
col = row.column()
col.label(text="Scaling factors")
row = box.row()
col = row.column(align=True)
- col.active = scn.use_atom_pdb_mesh
- col.prop(scn, "atom_pdb_mesh_azimuth")
- col.prop(scn, "atom_pdb_mesh_zenith")
+ col.active = scn.use_mesh
+ col.prop(scn, "mesh_azimuth")
+ col.prop(scn, "mesh_zenith")
col = row.column(align=True)
- col.prop(scn, "atom_pdb_scale_ballradius")
- col.prop(scn, "atom_pdb_scale_distances")
+ col.prop(scn, "scale_ballradius")
+ col.prop(scn, "scale_distances")
row = box.row()
col = row.column()
- col.prop(scn, "use_atom_pdb_sticks")
+ col.prop(scn, "use_sticks")
row = box.row()
- row.active = scn.use_atom_pdb_sticks
+ row.active = scn.use_sticks
col = row.column(align=True)
- col.prop(scn, "atom_pdb_sticks_sectors")
- col.prop(scn, "atom_pdb_sticks_radius")
- col.prop(scn, "atom_pdb_sticks_unit_length")
+ col.prop(scn, "sticks_sectors")
+ col.prop(scn, "sticks_radius")
+ col.prop(scn, "sticks_unit_length")
col = row.column(align=True)
- col.prop(scn, "use_atom_pdb_sticks_color")
- col.prop(scn, "use_atom_pdb_sticks_smooth")
- col.prop(scn, "use_atom_pdb_sticks_bonds")
+ col.prop(scn, "use_sticks_color")
+ col.prop(scn, "use_sticks_smooth")
+ col.prop(scn, "use_sticks_bonds")
row = box.row()
- row.active = scn.use_atom_pdb_sticks
+ row.active = scn.use_sticks
col = row.column(align=True)
col = row.column(align=True)
- col.active = scn.use_atom_pdb_sticks and scn.use_atom_pdb_sticks_bonds
- col.prop(scn, "atom_pdb_sticks_dist")
+ col.active = scn.use_sticks and scn.use_sticks_bonds
+ col.prop(scn, "sticks_dist")
row = box.row()
- row.prop(scn, "use_atom_pdb_center")
+ row.prop(scn, "use_center")
row = box.row()
col = row.column()
- col.prop(scn, "use_atom_pdb_cam")
- col.prop(scn, "use_atom_pdb_lamp")
+ col.prop(scn, "use_camera")
+ col.prop(scn, "use_lamp")
col = row.column()
col.operator("atom_pdb.button_reload")
- col.prop(scn, "atom_pdb_number_atoms")
+ col.prop(scn, "number_atoms")
row = box.row()
row.operator("atom_pdb.button_distance")
- row.prop(scn, "atom_pdb_distance")
-
+ row.prop(scn, "distance")
row = layout.row()
row.label(text="Modify atom radii")
-
box = layout.box()
row = box.row()
row.label(text="All changes concern:")
row = box.row()
- row.prop(scn, "atom_pdb_radius_how")
+ row.prop(scn, "radius_how")
row = box.row()
row.label(text="1. Change type of radii")
row = box.row()
- row.prop(scn, "atom_pdb_radius_type")
+ row.prop(scn, "radius_type")
row = box.row()
row.label(text="2. Change atom radii in pm")
row = box.row()
- row.prop(scn, "atom_pdb_radius_pm_name")
+ row.prop(scn, "radius_pm_name")
row = box.row()
- row.prop(scn, "atom_pdb_radius_pm")
+ row.prop(scn, "radius_pm")
row = box.row()
row.label(text="3. Change atom radii by scale")
row = box.row()
col = row.column()
- col.prop(scn, "atom_pdb_radius_all")
+ col.prop(scn, "radius_all")
col = row.column(align=True)
col.operator( "atom_pdb.radius_all_bigger" )
col.operator( "atom_pdb.radius_all_smaller" )
@@ -177,124 +172,114 @@ class CLASS_atom_pdb_panel(Panel):
row.operator( "atom_pdb.separate_atom" )
-class CLASS_atom_pdb_IO(bpy.types.PropertyGroup):
+# The properties (gadgets) in the panel. They all go to scene
+# during initialization (see end)
+class CLASS_atom_pdb_Properties(bpy.types.PropertyGroup):
def Callback_radius_type(self, context):
- scnn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
import_pdb.DEF_atom_pdb_radius_type(
- scnn.atom_pdb_radius_type,
- scnn.atom_pdb_radius_how,
- )
+ scn.radius_type,
+ scn.radius_how,)
def Callback_radius_pm(self, context):
- scnn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
import_pdb.DEF_atom_pdb_radius_pm(
- scnn.atom_pdb_radius_pm_name,
- scnn.atom_pdb_radius_pm,
- scnn.atom_pdb_radius_how,
- )
+ scn.radius_pm_name,
+ scn.radius_pm,
+ scn.radius_how,)
# In the file dialog window - Import
- scn = bpy.types.Scene
- scn.use_atom_pdb_cam = BoolProperty(
+ use_camera = BoolProperty(
name="Camera", default=False,
description="Do you need a camera?")
- scn.use_atom_pdb_lamp = BoolProperty(
+ use_lamp = BoolProperty(
name="Lamp", default=False,
description = "Do you need a lamp?")
- scn.use_atom_pdb_mesh = BoolProperty(
+ use_mesh = BoolProperty(
name = "Mesh balls", default=False,
description = "Use mesh balls instead of NURBS")
- scn.atom_pdb_mesh_azimuth = IntProperty(
- name = "Azimuth", default=32, min=0,
+ mesh_azimuth = IntProperty(
+ name = "Azimuth", default=32, min=1,
description = "Number of sectors (azimuth)")
- scn.atom_pdb_mesh_zenith = IntProperty(
- name = "Zenith", default=32, min=0,
+ mesh_zenith = IntProperty(
+ name = "Zenith", default=32, min=1,
description = "Number of sectors (zenith)")
- scn.atom_pdb_scale_ballradius = FloatProperty(
- name = "Balls", default=1.0, min=0.0,
+ scale_ballradius = FloatProperty(
+ name = "Balls", default=1.0, min=0.0001,
description = "Scale factor for all atom radii")
- scn.atom_pdb_scale_distances = FloatProperty (
- name = "Distances", default=1.0, min=0.0,
+ scale_distances = FloatProperty (
+ name = "Distances", default=1.0, min=0.0001,
description = "Scale factor for all distances")
- scn.use_atom_pdb_center = BoolProperty(
+ use_center = BoolProperty(
name = "Object to origin", default=True,
description = "Put the object into the global origin")
- scn.use_atom_pdb_sticks = BoolProperty(
+ use_sticks = BoolProperty(
name="Use sticks", default=True,
description="Do you want to display the sticks?")
- scn.atom_pdb_sticks_sectors = IntProperty(
- name = "Sector", default=20, min=0,
+ sticks_sectors = IntProperty(
+ name = "Sector", default=20, min=1,
description="Number of sectors of a stick")
- scn.atom_pdb_sticks_radius = FloatProperty(
- name = "Radius", default=0.1, min=0.0,
+ sticks_radius = FloatProperty(
+ name = "Radius", default=0.1, min=0.0001,
description ="Radius of a stick")
- scn.atom_pdb_sticks_unit_length = FloatProperty(
- name = "Unit", default=0.2, min=0,
+ sticks_unit_length = FloatProperty(
+ name = "Unit", default=0.2, min=0.0001,
description = "Length of the unit of a stick in Angstrom")
- scn.use_atom_pdb_sticks_color = BoolProperty(
+ use_sticks_color = BoolProperty(
name="Color", default=True,
description="The sticks appear in the color of the atoms")
- scn.use_atom_pdb_sticks_smooth = BoolProperty(
+ use_sticks_smooth = BoolProperty(
name="Smooth", default=False,
description="The sticks are round (sectors are not visible)")
- scn.use_atom_pdb_sticks_bonds = BoolProperty(
+ use_sticks_bonds = BoolProperty(
name="Bonds", default=False,
description="Show double and tripple bonds.")
- scn.atom_pdb_sticks_dist = FloatProperty(
+ sticks_dist = FloatProperty(
name="Distance", default = 1.1, min=1.0, max=3.0,
description="Distance between sticks measured in stick diameter")
- scn.atom_pdb_atomradius = EnumProperty(
+ 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',)
-
- # In the file dialog window - Export
- scn.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',)
-
+ default='0',)
# In the panel
- scn.atom_pdb_datafile = StringProperty(
+ datafile = StringProperty(
name = "", description="Path to your custom data file",
maxlen = 256, default = "", subtype='FILE_PATH')
- scn.atom_pdb_PDB_file = StringProperty(
+ PDB_file = StringProperty(
name = "PDB file", default="",
description = "Path of the PDB file")
- scn.atom_pdb_number_atoms = StringProperty(name="",
+ number_atoms = StringProperty(name="",
default="Number", description = "This output shows "
"the number of atoms which have been loaded")
- scn.atom_pdb_distance = StringProperty(
+ distance = StringProperty(
name="", default="Distance (A)",
description="Distance of 2 objects in Angstrom")
- scn.atom_pdb_radius_how = EnumProperty(
+ radius_how = EnumProperty(
name="",
description="Which objects shall be modified?",
items=(('ALL_ACTIVE',"all active objects", "in the current layer"),
('ALL_IN_LAYER',"all"," in active layer(s)")),
default='ALL_ACTIVE',)
- scn.atom_pdb_radius_type = EnumProperty(
+ radius_type = EnumProperty(
name="Type",
description="Which type of atom radii?",
items=(('0',"predefined", "Use pre-defined radii"),
('1',"atomic", "Use atomic radii"),
('2',"van der Waals","Use van der Waals radii")),
default='0',update=Callback_radius_type)
- scn.atom_pdb_radius_pm_name = StringProperty(
+ radius_pm_name = StringProperty(
name="", default="Atom name",
description="Put in the name of the atom (e.g. Hydrogen)")
- scn.atom_pdb_radius_pm = FloatProperty(
- name="", default=100.0, min=0.0,
+ radius_pm = FloatProperty(
+ name="", default=100.0, min=0.01,
description="Put in the radius of the atom (in pm)",
update=Callback_radius_pm)
- scn.atom_pdb_radius_all = FloatProperty(
- name="Scale", default = 1.05, min=1.0,
+ radius_all = FloatProperty(
+ name="Scale", default = 1.05, min=1.0, max=5.0,
description="Put in the scale factor")
@@ -305,12 +290,12 @@ class CLASS_atom_pdb_datafile_apply(Operator):
bl_description = "Use color and radii values stored in the custom file"
def execute(self, context):
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
- if scn.atom_pdb_datafile == "":
+ if scn.datafile == "":
return {'FINISHED'}
- import_pdb.DEF_atom_pdb_custom_datafile(scn.atom_pdb_datafile)
+ import_pdb.DEF_atom_pdb_custom_datafile(scn.datafile)
# TODO, move this into 'import_pdb' and call the function
for obj in bpy.context.selected_objects:
@@ -338,7 +323,7 @@ class CLASS_atom_pdb_separate_atom(Operator):
bl_description = "Separate the atom you have chosen"
def execute(self, context):
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
# Get first all important properties from the atom which the user
# has chosen: location, color, scale
@@ -365,7 +350,7 @@ class CLASS_atom_pdb_separate_atom(Operator):
current_layers=bpy.context.scene.layers
if "Vacancy" not in name:
- if scn.use_atom_pdb_mesh == False:
+ if scn.use_mesh == False:
bpy.ops.surface.primitive_nurbs_surface_sphere_add(
view_align=False, enter_editmode=False,
location=loc_vec+loc_obj_vec,
@@ -373,8 +358,8 @@ class CLASS_atom_pdb_separate_atom(Operator):
layers=current_layers)
else:
bpy.ops.mesh.primitive_uv_sphere_add(
- segments=scn.atom_pdb_mesh_azimuth,
- ring_count=scn.atom_pdb_mesh_zenith,
+ segments=scn.mesh_azimuth,
+ ring_count=scn.mesh_zenith,
size=1, view_align=False, enter_editmode=False,
location=loc_vec+loc_obj_vec,
rotation=(0, 0, 0),
@@ -410,7 +395,7 @@ class CLASS_atom_pdb_distance_button(Operator):
bl_description = "Measure the distance between two objects (only in Object Mode)"
def execute(self, context):
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
dist = import_pdb.DEF_atom_pdb_distance()
if dist != "N.A.":
@@ -422,7 +407,7 @@ class CLASS_atom_pdb_distance_button(Operator):
dist = dist + " A"
# Put the distance into the string of the output field.
- scn.atom_pdb_distance = dist
+ scn.distance = dist
return {'FINISHED'}
@@ -433,10 +418,10 @@ class CLASS_atom_pdb_radius_all_bigger_button(Operator):
bl_description = "Increase the radii of the atoms"
def execute(self, context):
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
import_pdb.DEF_atom_pdb_radius_all(
- scn.atom_pdb_radius_all,
- scn.atom_pdb_radius_how,
+ scn.radius_all,
+ scn.radius_how,
)
return {'FINISHED'}
@@ -448,10 +433,10 @@ class CLASS_atom_pdb_radius_all_smaller_button(Operator):
bl_description = "Decrease the radii of the atoms"
def execute(self, context):
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
import_pdb.DEF_atom_pdb_radius_all(
- 1.0/scn.atom_pdb_radius_all,
- scn.atom_pdb_radius_how,
+ 1.0/scn.radius_all,
+ scn.radius_how,
)
return {'FINISHED'}
@@ -465,12 +450,11 @@ class CLASS_atom_pdb_radius_sticks_button(Operator):
def execute(self, context):
global ATOM_PDB_ERROR
-
- scn = bpy.context.scene
+ scn = bpy.context.scene.atom_pdb[0]
result = import_pdb.DEF_atom_pdb_radius_sticks(
- scn.atom_pdb_sticks_radius * 0.9,
- scn.atom_pdb_radius_how,
+ scn.sticks_radius * 0.9,
+ scn.radius_how,
)
if result == False:
@@ -487,154 +471,221 @@ class CLASS_atom_pdb_load_button(Operator):
bl_description = "Load the structure again"
def execute(self, context):
- scn = bpy.context.scene
-
- azimuth = scn.atom_pdb_mesh_azimuth
- zenith = scn.atom_pdb_mesh_zenith
- bradius = scn.atom_pdb_scale_ballradius
- bdistance = scn.atom_pdb_scale_distances
- radiustype = scn.atom_pdb_atomradius
- center = scn.use_atom_pdb_center
- sticks = scn.use_atom_pdb_sticks
- sticks_col = scn.use_atom_pdb_sticks_color
- sticks_sm = scn.use_atom_pdb_sticks_smooth
- ssector = scn.atom_pdb_sticks_sectors
- sradius = scn.atom_pdb_sticks_radius
- stick_bond = scn.use_atom_pdb_sticks_bonds
- stick_dist = scn.atom_pdb_sticks_dist
- stick_unit = scn.atom_pdb_sticks_unit_length
-
- cam = scn.use_atom_pdb_cam
- lamp = scn.use_atom_pdb_lamp
- mesh = scn.use_atom_pdb_mesh
- datafile = scn.atom_pdb_datafile
+ scn = context.scene.atom_pdb[0]
- # Execute main routine an other time ... from the panel
atom_number = import_pdb.DEF_atom_pdb_main(
- mesh, azimuth, zenith, bradius, radiustype, bdistance,
- sticks, sticks_col, sticks_sm, stick_bond, stick_unit,
- stick_dist, ssector, sradius, center, cam, lamp, datafile)
- scn.atom_pdb_number_atoms = str(atom_number) + " atoms"
+ scn.use_mesh,
+ scn.mesh_azimuth,
+ scn.mesh_zenith,
+ scn.scale_ballradius,
+ scn.atomradius,
+ scn.scale_distances,
+ scn.use_sticks,
+ scn.use_sticks_color,
+ scn.use_sticks_smooth,
+ scn.use_sticks_bonds,
+ scn.sticks_unit_length,
+ scn.sticks_dist,
+ scn.sticks_sectors,
+ scn.sticks_radius,
+ scn.use_center,
+ scn.use_camera,
+ scn.use_lamp,
+ scn.datafile)
+
+ scn.number_atoms = str(atom_number) + " atoms"
return {'FINISHED'}
-# This is the class for the file dialog.
+# 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")
+ use_center = BoolProperty(
+ name = "Object to origin", default=True,
+ description = "Put the object into the global origin")
+ 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=0.2, 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")
+ 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',)
+ datafile = StringProperty(
+ name = "", description="Path to your custom data file",
+ maxlen = 256, default = "", subtype='FILE_PATH')
+
def draw(self, context):
layout = self.layout
- scn = bpy.context.scene
-
row = layout.row()
- row.prop(scn, "use_atom_pdb_cam")
- row.prop(scn, "use_atom_pdb_lamp")
+ row.prop(self, "use_camera")
+ row.prop(self, "use_lamp")
row = layout.row()
col = row.column()
- col.prop(scn, "use_atom_pdb_mesh")
+ col.prop(self, "use_mesh")
col = row.column(align=True)
- col.active = scn.use_atom_pdb_mesh
- col.prop(scn, "atom_pdb_mesh_azimuth")
- col.prop(scn, "atom_pdb_mesh_zenith")
-
+ 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(scn, "atom_pdb_scale_ballradius")
- col.prop(scn, "atom_pdb_scale_distances")
+ col.prop(self, "scale_ballradius")
+ col.prop(self, "scale_distances")
row = layout.row()
col = row.column()
- col.prop(scn, "use_atom_pdb_sticks")
+ col.prop(self, "use_sticks")
row = layout.row()
- row.active = scn.use_atom_pdb_sticks
+ row.active = self.use_sticks
col = row.column()
- col.prop(scn, "atom_pdb_sticks_sectors")
- col.prop(scn, "atom_pdb_sticks_radius")
- col.prop(scn, "atom_pdb_sticks_unit_length")
+ col.prop(self, "sticks_sectors")
+ col.prop(self, "sticks_radius")
+ col.prop(self, "sticks_unit_length")
col = row.column(align=True)
- col.prop(scn, "use_atom_pdb_sticks_color")
- col.prop(scn, "use_atom_pdb_sticks_smooth")
- col.prop(scn, "use_atom_pdb_sticks_bonds")
+ col.prop(self, "use_sticks_color")
+ col.prop(self, "use_sticks_smooth")
+ col.prop(self, "use_sticks_bonds")
row = layout.row()
- row.active = scn.use_atom_pdb_sticks
+ row.active = self.use_sticks
col = row.column(align=True)
col = row.column(align=True)
- col.active = scn.use_atom_pdb_sticks and scn.use_atom_pdb_sticks_bonds
- col.prop(scn, "atom_pdb_sticks_dist")
-
+ col.active = self.use_sticks and self.use_sticks_bonds
+ col.prop(self, "sticks_dist")
row = layout.row()
- row.prop(scn, "use_atom_pdb_center")
-
+ row.prop(self, "use_center")
row = layout.row()
- row.prop(scn, "atom_pdb_atomradius")
+ row.prop(self, "atomradius")
def execute(self, context):
- scn = bpy.context.scene
-
# This is in order to solve this strange 'relative path' thing.
import_pdb.ATOM_PDB_FILEPATH = bpy.path.abspath(self.filepath)
- scn.atom_pdb_PDB_file = import_pdb.ATOM_PDB_FILEPATH
-
- azimuth = scn.atom_pdb_mesh_azimuth
- zenith = scn.atom_pdb_mesh_zenith
- bradius = scn.atom_pdb_scale_ballradius
- bdistance = scn.atom_pdb_scale_distances
- radiustype = scn.atom_pdb_atomradius
- center = scn.use_atom_pdb_center
- sticks = scn.use_atom_pdb_sticks
- sticks_col = scn.use_atom_pdb_sticks_color
- sticks_sm = scn.use_atom_pdb_sticks_smooth
- ssector = scn.atom_pdb_sticks_sectors
- sradius = scn.atom_pdb_sticks_radius
- stick_bond = scn.use_atom_pdb_sticks_bonds
- stick_dist = scn.atom_pdb_sticks_dist
- stick_unit = scn.atom_pdb_sticks_unit_length
-
- cam = scn.use_atom_pdb_cam
- lamp = scn.use_atom_pdb_lamp
- mesh = scn.use_atom_pdb_mesh
- datafile = scn.atom_pdb_datafile
-
- # Execute main routine
+ # Execute main routine
atom_number = import_pdb.DEF_atom_pdb_main(
- mesh, azimuth, zenith, bradius, radiustype, bdistance,
- sticks, sticks_col, sticks_sm, stick_bond, stick_unit,
- stick_dist, ssector, sradius, center, cam, lamp, datafile)
-
- scn.atom_pdb_number_atoms = str(atom_number) + " atoms"
+ 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,
+ self.datafile)
+
+ # Copy the whole bunch of values into the property collection.
+ scn = context.scene.atom_pdb[0]
+ scn.use_mesh = self.use_mesh
+ scn.mesh_azimuth = self.mesh_azimuth
+ scn.mesh_zenith = self.mesh_zenith
+ scn.scale_ballradius = self.scale_ballradius
+ scn.atomradius = self.atomradius
+ scn.scale_distances = self.scale_distances
+ scn.use_sticks = self.use_sticks
+ scn.use_sticks_color = self.use_sticks_color
+ scn.use_sticks_smooth = self.use_sticks_smooth
+ scn.use_sticks_bonds = self.use_sticks_bonds
+ scn.sticks_unit_length = self.sticks_unit_length
+ scn.sticks_dist = self.sticks_dist
+ scn.sticks_sectors = self.sticks_sectors
+ scn.sticks_radius = self.sticks_radius
+ scn.use_center = self.use_center
+ scn.use_camera = self.use_camera
+ scn.use_lamp = self.use_lamp
+ scn.datafile = self.datafile
+
+ scn.number_atoms = str(atom_number) + " atoms"
+ scn.PDB_file = import_pdb.ATOM_PDB_FILEPATH
return {'FINISHED'}
-# This is the class for the file dialog.
+# 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'},)
+
+ 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
- scn = bpy.context.scene
-
row = layout.row()
- row.prop(scn, "atom_pdb_export_type")
+ row.prop(self, "atom_pdb_export_type")
def execute(self, context):
- scn = bpy.context.scene
-
# This is in order to solve this strange 'relative path' thing.
export_pdb.ATOM_PDB_FILEPATH = bpy.path.abspath(self.filepath)
- export_pdb.DEF_atom_pdb_export(scn.atom_pdb_export_type)
+ export_pdb.DEF_atom_pdb_export(self.atom_pdb_export_type)
return {'FINISHED'}
@@ -668,7 +719,9 @@ 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)
-
+ bpy.types.Scene.atom_pdb = bpy.props.CollectionProperty(type=CLASS_atom_pdb_Properties)
+ bpy.context.scene.atom_pdb.add()
+
def unregister():
bpy.utils.unregister_module(__name__)
bpy.types.INFO_MT_file_import.remove(menu_func_import)
diff --git a/io_mesh_pdb/export_pdb.py b/io_mesh_pdb/export_pdb.py
index eadeb6c89..04b79fc5e 100644
--- a/io_mesh_pdb/export_pdb.py
+++ b/io_mesh_pdb/export_pdb.py
@@ -25,7 +25,7 @@
#
# Start of project : 2011-08-31 by Clemens Barth
# First publication in Blender : 2011-11-11
-# Last modified : 2012-03-09
+# Last modified : 2012-03-21
#
# Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon,
# dairin0d, PKHG, Valter, etc
diff --git a/io_mesh_pdb/import_pdb.py b/io_mesh_pdb/import_pdb.py
index 45d858bf5..0db76e92c 100644
--- a/io_mesh_pdb/import_pdb.py
+++ b/io_mesh_pdb/import_pdb.py
@@ -25,7 +25,7 @@
#
# Start of project : 2011-08-31 by Clemens Barth
# First publication in Blender : 2011-11-11
-# Last modified : 2012-03-09
+# Last modified : 2012-03-21
#
# Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon,
# dairin0d, PKHG, Valter, etc
--
GitLab