[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [2647] contrib/py/scripts/addons/ io_import_pdb_atomic_blender.py:
Clemens Barth
barth at root-1.de
Wed Nov 23 01:32:16 CET 2011
Revision: 2647
http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=2647
Author: blendphys
Date: 2011-11-23 00:32:15 +0000 (Wed, 23 Nov 2011)
Log Message:
-----------
Some code cosmetics (http://www.python.org/dev/peps/pep-0008/)
Modified Paths:
--------------
contrib/py/scripts/addons/io_import_pdb_atomic_blender.py
Modified: contrib/py/scripts/addons/io_import_pdb_atomic_blender.py
===================================================================
--- contrib/py/scripts/addons/io_import_pdb_atomic_blender.py 2011-11-22 23:02:56 UTC (rev 2646)
+++ contrib/py/scripts/addons/io_import_pdb_atomic_blender.py 2011-11-23 00:32:15 UTC (rev 2647)
@@ -71,14 +71,15 @@
Atomic_Blender_string = "Atomic Blender 2.0\n==================="
Atomic_Blender_panel_name = "PDB - Atomic Blender"
-# This is a list that contains some data of all possible atoms. The structure is as follows:
+# This is a list that contains some data of all possible atoms. The structure
+# is as follows:
#
# 1, "Hydrogen", "H", [0.0,0.0,1.0], 0.32, 0.32, 0.32 , -1 , 1.54 means
#
-# Number, name of atom, short name, color, radius (used for Blender), radius (covalent), radius (atomic), ...
-#
-# ... then the charge state: charge state, radius (ionic), charge state, radius (ionic), ... all charge states
-# for any atom are listed, if existing.
+# No., name, short name, color, radius (used), radius (covalent), radius (atomic),
+#
+# charge state 1, radius (ionic) 1, charge state 2, radius (ionic) 2, ... all
+# charge states for any atom are listed, if existing.
Data_all_atoms = (
( 1, "Hydrogen", "H", ( 0.0, 0.0, 1.0), 0.32, 0.32, 0.32 , -1 , 1.54 ),
@@ -310,29 +311,75 @@
class CLASS_Input_Output(bpy.types.PropertyGroup):
- bpy.types.Scene.atom_pdb_PDB_filename = StringProperty(name = "File name", default="", description = "PDB file name")
- bpy.types.Scene.atom_pdb_PDB_file = StringProperty(name = "Path to file", default="", description = "Path of the PDB file")
- bpy.types.Scene.use_atom_pdb_dupliverts = BoolProperty (name = "Use dupliverts (much faster)", default=True, description = "Use the dublication method via vertice referencing (Much faster loading!)")
- bpy.types.Scene.use_atom_pdb_mesh = BoolProperty (name = "Mesh balls", default=False, description = "Do you want to use mesh balls instead of NURBS?")
- bpy.types.Scene.atom_pdb_mesh_azimuth = IntProperty (name = "Azimuth", default=32, min=0, description = "Number of sectors (azimuth)")
- bpy.types.Scene.atom_pdb_mesh_zenith = IntProperty (name = "Zenith", default=32, min=0, description = "Number of sectors (zenith)")
- bpy.types.Scene.atom_pdb_scale_ballradius = FloatProperty (name = "Balls", default=1.0, min=0.0, description = "Scale factor for all atom radii")
- bpy.types.Scene.atom_pdb_scale_distances = FloatProperty (name = "Distances", default=1.0, min=0.0, description = "Scale factor for all distances")
- bpy.types.Scene.use_atom_pdb_center = BoolProperty (name = "Object to origin", default=True, description = "Shall the object first put into the global origin before applying the offsets on the left?")
- bpy.types.Scene.atom_pdb_offset_x = FloatProperty (name = "X", default=0.0, description = "Offset in X")
- bpy.types.Scene.atom_pdb_offset_y = FloatProperty (name = "Y", default=0.0, description = "Offset in Y")
- bpy.types.Scene.atom_pdb_offset_z = FloatProperty (name = "Z", default=0.0, description = "Offset in Z")
- bpy.types.Scene.use_atom_pdb_sticks = BoolProperty (name = "Use sticks", default=False, description = "Do you want to display also the sticks?")
- bpy.types.Scene.atom_pdb_sticks_sectors = IntProperty (name = "Sector", default = 20, min=0, description = "Number of sectors of a stick")
- bpy.types.Scene.atom_pdb_sticks_radius = FloatProperty (name = "Radius", default = 0.1, min=0.0, description = "Radius of a stick")
- bpy.types.Scene.use_atom_pdb_cam = BoolProperty (name = "Camera", default=False, description = "Do you need a camera?")
- bpy.types.Scene.use_atom_pdb_lamp = BoolProperty (name = "Lamp", default=False, description = "Do you need a lamp?")
- bpy.types.Scene.atom_pdb_number_atoms = StringProperty(name = "", default="Number", description = "This output shows the number of atoms which have been loaded")
- bpy.types.Scene.atom_pdb_distance = StringProperty(name = "", default="Distance (Angstrom)", description = "Distance of 2 objects in Angstrom")
- bpy.types.Scene.atom_pdb_mod_atomname = StringProperty(name = "", default = "Atom name", description="Put in the name of the atom (e.g. Hydrogen)")
- bpy.types.Scene.atom_pdb_mod_pm_radius = FloatProperty (name = "", default = 100.0, min=0.0, description="Put in the radius of the atom (in pm)")
- bpy.types.Scene.atom_pdb_mod_rel_radius = FloatProperty (name = "", default = 1.05, min=1.0, description="Put in the scale factor")
- bpy.types.Scene.atom_pdb_mod_all_radii = FloatProperty (name = "Scale", default = 1.05, min=1.0, description="Put in the scale factor")
+ scn = bpy.types.Scene
+ scn.atom_pdb_PDB_filename = StringProperty(
+ name = "File name", default="",
+ description = "PDB file name")
+ scn.atom_pdb_PDB_file = StringProperty(
+ name = "Path to file", default="",
+ description = "Path of the PDB file")
+ scn.use_atom_pdb_dupliverts = BoolProperty(
+ name = "Use dupliverts (much faster)", default=True,
+ description = "Use the dublication method via vertice referencing "
+ "(Much faster loading!)")
+ scn.use_atom_pdb_mesh = BoolProperty(
+ name = "Mesh balls", default=False,
+ description = "Do you want to use mesh balls instead of NURBS?")
+ scn.atom_pdb_mesh_azimuth = IntProperty(
+ name = "Azimuth", default=32, min=0,
+ description = "Number of sectors (azimuth)")
+ scn.atom_pdb_mesh_zenith = IntProperty(
+ name = "Zenith", default=32, min=0,
+ description = "Number of sectors (zenith)")
+ scn.atom_pdb_scale_ballradius = FloatProperty(
+ name = "Balls", default=1.0, min=0.0,
+ description = "Scale factor for all atom radii")
+ scn.atom_pdb_scale_distances = FloatProperty (
+ name = "Distances", default=1.0, min=0.0,
+ description = "Scale factor for all distances")
+ scn.use_atom_pdb_center = BoolProperty(
+ name = "Object to origin", default=True,
+ description = "Shall the object first put into the global origin "
+ "before applying the offsets on the left?")
+ scn.atom_pdb_offset_x = FloatProperty(
+ name="X", default=0.0, description="Offset in X")
+ scn.atom_pdb_offset_y = FloatProperty(
+ name="Y", default=0.0, description="Offset in Y")
+ scn.atom_pdb_offset_z = FloatProperty(
+ name="Z", default=0.0, description="Offset in Z")
+ scn.use_atom_pdb_sticks = BoolProperty(
+ name="Use sticks", default=False,
+ description="Do you want to display also the sticks?")
+ scn.atom_pdb_sticks_sectors = IntProperty(
+ name = "Sector", default=20, min=0,
+ description="Number of sectors of a stick")
+ scn.atom_pdb_sticks_radius = FloatProperty(
+ name = "Radius", default=0.1, min=0.0,
+ description ="Radius of a stick")
+ scn.use_atom_pdb_cam = BoolProperty(
+ name="Camera", default=False,
+ description="Do you need a camera?")
+ scn.use_atom_pdb_lamp = BoolProperty(
+ name="Lamp", default=False,
+ description = "Do you need a lamp?")
+ scn.atom_pdb_number_atoms = StringProperty(name="",
+ default="Number", description = "This output shows "
+ "the number of atoms which have been loaded")
+ scn.atom_pdb_distance = StringProperty(
+ name="", default="Distance (Angstrom)",
+ description="Distance of 2 objects in Angstrom")
+ scn.atom_pdb_mod_atomname = StringProperty(
+ name="", default="Atom name",
+ description="Put in the name of the atom (e.g. Hydrogen)")
+ scn.atom_pdb_mod_pm_radius = FloatProperty(
+ name="", default=100.0, min=0.0,
+ description="Put in the radius of the atom (in pm)")
+ scn.atom_pdb_mod_rel_radius = FloatProperty(
+ name="", default=1.05, min=1.0,
+ description="Put in the scale factor")
+ scn.atom_pdb_mod_all_radii = FloatProperty(
+ name="Scale", default = 1.05, min=1.0,
+ description="Put in the scale factor")
# Button for measuring the distance of the active objects
@@ -366,7 +413,8 @@
def execute(self, context):
scn = bpy.context.scene
- Modify_atom_radii_type_pm(scn.atom_pdb_mod_atomname, scn.atom_pdb_mod_pm_radius)
+ Modify_atom_radii_type_pm(scn.atom_pdb_mod_atomname,
+ scn.atom_pdb_mod_pm_radius)
return {'FINISHED'}
@@ -378,7 +426,8 @@
def execute(self, context):
scn = bpy.context.scene
- Modify_atom_radii_type_scale(scn.atom_pdb_mod_atomname, scn.atom_pdb_mod_rel_radius)
+ Modify_atom_radii_type_scale(scn.atom_pdb_mod_atomname,
+ scn.atom_pdb_mod_rel_radius)
return {'FINISHED'}
@@ -390,7 +439,8 @@
def execute(self, context):
scn = bpy.context.scene
- Modify_atom_radii_type_scale(scn.atom_pdb_mod_atomname, 1.0/scn.atom_pdb_mod_rel_radius)
+ Modify_atom_radii_type_scale(scn.atom_pdb_mod_atomname,
+ 1.0/scn.atom_pdb_mod_rel_radius)
return {'FINISHED'}
@@ -432,7 +482,9 @@
bradius = scn.atom_pdb_scale_ballradius
bdistance = scn.atom_pdb_scale_distances
center = scn.use_atom_pdb_center
- offset_vec = Vector((scn.atom_pdb_offset_x,scn.atom_pdb_offset_y,scn.atom_pdb_offset_z))
+ offset_vec = Vector((scn.atom_pdb_offset_x,
+ scn.atom_pdb_offset_y,
+ scn.atom_pdb_offset_z))
sticks = scn.use_atom_pdb_sticks
ssector = scn.atom_pdb_sticks_sectors
sradius = scn.atom_pdb_sticks_radius
@@ -441,7 +493,9 @@
mesh = scn.use_atom_pdb_mesh
dupliverts = scn.use_atom_pdb_dupliverts
- atom_number = Draw_scene(dupliverts,mesh,azimuth,zenith,bradius,bdistance,offset_vec,sticks,ssector,sradius,center,cam,lamp)
@@ Diff output truncated at 10240 characters. @@
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