[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [3022] trunk/py/scripts/addons/ io_mesh_pdb:
Clemens Barth
barth at root-1.de
Sun Feb 26 23:23:00 CET 2012
Revision: 3022
http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=3022
Author: blendphys
Date: 2012-02-26 22:22:59 +0000 (Sun, 26 Feb 2012)
Log Message:
-----------
Dear all. (part two)
This is the first version of the EXPORTER for PDB files.
- small changes in __init__.py
- new file: export_pdb.py
This week I'm going to test the exporter ... improvements will follow.
Blendphys
Modified Paths:
--------------
trunk/py/scripts/addons/io_mesh_pdb/__init__.py
trunk/py/scripts/addons/io_mesh_pdb/atom_info.dat
Modified: trunk/py/scripts/addons/io_mesh_pdb/__init__.py
===================================================================
--- trunk/py/scripts/addons/io_mesh_pdb/__init__.py 2012-02-26 22:22:20 UTC (rev 3021)
+++ trunk/py/scripts/addons/io_mesh_pdb/__init__.py 2012-02-26 22:22:59 UTC (rev 3022)
@@ -22,6 +22,7 @@
"author": "Clemens Barth",
"version": (1,2),
"blender": (2,6),
+ "api": 31236,
"location": "File -> Import -> PDB (.pdb), Panel: View 3D - Tools",
"warning": "",
"wiki_url": "http://wiki.blender.org/index.php/Extensions:2.6/Py/Scripts/Import-Export/PDB",
@@ -32,7 +33,7 @@
import bpy
from bpy.types import Operator, Panel
-from bpy_extras.io_utils import ImportHelper
+from bpy_extras.io_utils import ImportHelper, ExportHelper
from bpy.props import (StringProperty,
BoolProperty,
EnumProperty,
@@ -42,7 +43,9 @@
# TODO, allow reload
from . import import_pdb
+from . import export_pdb
+
ATOM_PDB_ERROR = ""
# -----------------------------------------------------------------------------
@@ -234,7 +237,7 @@
description="The sticks are round (sectors are not visible)")
scn.use_atom_pdb_sticks_bonds = BoolProperty(
name="Bonds", default=False,
- description="Show double and tripple bonds")
+ description="Show double and tripple bonds.")
scn.atom_pdb_sticks_dist = FloatProperty(
name="Distance", default = 1.1, min=1.0, max=3.0,
description="Distance between sticks measured in stick diameter")
@@ -596,6 +599,30 @@
return {'FINISHED'}
+
+# This is the class for the file dialog.
+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'},)
+
+ def draw(self, context):
+ layout = self.layout
+ scn = bpy.context.scene
+
+ 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()
+
+ return {'FINISHED'}
+
+
+
class CLASS_atom_pdb_error_dialog(bpy.types.Operator):
bl_idname = "atom_pdb.error_dialog"
bl_label = "Attention !"
@@ -612,17 +639,23 @@
# The entry into the menu 'file -> import'
-def menu_func(self, context):
+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)
+ 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)
+ bpy.types.INFO_MT_file_import.remove(menu_func_import)
+ bpy.types.INFO_MT_file_export.remove(menu_func_export)
if __name__ == "__main__":
Modified: trunk/py/scripts/addons/io_mesh_pdb/atom_info.dat
===================================================================
--- trunk/py/scripts/addons/io_mesh_pdb/atom_info.dat 2012-02-26 22:22:20 UTC (rev 3021)
+++ trunk/py/scripts/addons/io_mesh_pdb/atom_info.dat 2012-02-26 22:22:59 UTC (rev 3022)
@@ -3,7 +3,7 @@
Number : 1
Name : Hydrogen
Short name : H
-Color : 0.0,0.0,1.0
+Color : 0.99,0.99,0.99
Radius used : 0.320000
Radius, covalent : 0.320000
Radius, atomic : 0.790000
@@ -16,7 +16,7 @@
Number : 2
Name : Helium
Short name : He
-Color : 0.207843137255,0.56862745098,0.207843137255
+Color : 0.84,0.99,0.99
Radius used : 0.930000
Radius, covalent : 0.930000
Radius, atomic : 0.490000
@@ -27,7 +27,7 @@
Number : 3
Name : Lithium
Short name : Li
-Color : 0.729411764706,0.278431372549,0.254901960784
+Color : 0.79,0.5,0.99
Radius used : 1.230000
Radius, covalent : 1.230000
Radius, atomic : 2.050000
@@ -40,7 +40,7 @@
Number : 4
Name : Beryllium
Short name : Be
-Color : 0.447058823529,0.725490196078,0.309803921569
+Color : 0.75,0.99,0.0
Radius used : 0.900000
Radius, covalent : 0.900000
Radius, atomic : 1.400000
@@ -55,7 +55,7 @@
Number : 5
Name : Boron
Short name : B
-Color : 1.0,1.0,1.0
+Color : 0.99,0.70,0.70
Radius used : 0.820000
Radius, covalent : 0.820000
Radius, atomic : 1.170000
@@ -70,8 +70,8 @@
Number : 6
Name : Carbon
Short name : C
-Color : 0.0,0.0,0.0
-Radius used : 0.770000
+Color : 0.3,0.3,0.3
+Radius used : 0.910000
Radius, covalent : 0.770000
Radius, atomic : 0.910000
Charge state : -4
@@ -85,7 +85,7 @@
Number : 7
Name : Nitrogen
Short name : N
-Color : 0.0,0.0,1.0
+Color : 0.18,0.31,0.96
Radius used : 0.750000
Radius, covalent : 0.750000
Radius, atomic : 0.750000
@@ -104,7 +104,7 @@
Number : 8
Name : Oxygen
Short name : O
-Color : 1.0,0.0,0.0
+Color : 0.99,0.05,0.05
Radius used : 0.730000
Radius, covalent : 0.730000
Radius, atomic : 0.650000
@@ -124,7 +124,7 @@
Name : Fluorine
Short name : F
Color : 0.0,1.0,0.0
-Radius used : 0.720000
+Radius used : 1.330000
Radius, covalent : 0.720000
Radius, atomic : 0.570000
Charge state : -1
@@ -138,7 +138,7 @@
Number : 10
Name : Neon
Short name : Ne
-Color : 0.537254901961,0.607843137255,0.525490196078
+Color : 0.69,0.88,0.95
Radius used : 0.710000
Radius, covalent : 0.710000
Radius, atomic : 0.510000
@@ -151,8 +151,8 @@
Number : 11
Name : Sodium
Short name : Na
-Color : 0.0,0.0,1.0
-Radius used : 1.540000
+Color : 0.5,0.5,0.5
+Radius used : 0.970000
Radius, covalent : 1.540000
Radius, atomic : 2.230000
Charge state : 1
@@ -164,8 +164,8 @@
Number : 12
Name : Magnesium
Short name : Mg
-Color : 1.0,1.0,1.0
-Radius used : 1.360000
+Color : 0.38,0.066,1.0
+Radius used : 0.660000
Radius, covalent : 1.360000
Radius, atomic : 1.720000
Charge state : 1
@@ -179,7 +179,7 @@
Number : 13
Name : Aluminium
Short name : Al
-Color : 0.701960784314,0.2,0.623529411765
+Color : 0.74,0.64,0.64
Radius used : 1.180000
Radius, covalent : 1.180000
Radius, atomic : 1.820000
@@ -192,7 +192,7 @@
Number : 14
Name : Silicon
Short name : Si
-Color : 0.654901960784,0.647058823529,0.278431372549
+Color : 0.93,0.78,0.62
Radius used : 1.110000
Radius, covalent : 1.110000
Radius, atomic : 1.460000
@@ -211,7 +211,7 @@
Number : 15
Name : Phosphorus
Short name : P
-Color : 1.0,1.0,0.0
+Color : 0.99,0.5,0.0
Radius used : 1.060000
Radius, covalent : 1.060000
Radius, atomic : 1.230000
@@ -228,7 +228,7 @@
Number : 16
Name : Sulfur
Short name : S
-Color : 1.0,1.0,0.501960784314
+Color : 0.99,0.99,0.18
Radius used : 1.020000
Radius, covalent : 1.020000
Radius, atomic : 1.090000
@@ -247,8 +247,8 @@
Number : 17
Name : Chlorine
Short name : Cl
-Color : 0.0,1.0,0.0
-Radius used : 0.990000
+Color : 0.095,0.411,1.0
+Radius used : 1.810000
Radius, covalent : 0.990000
Radius, atomic : 0.970000
Charge state : -1
@@ -264,7 +264,7 @@
Number : 18
Name : Argon
Short name : Ar
-Color : 0.317647058824,0.329411764706,0.749019607843
+Color : 0.5,0.81,0.88
Radius used : 0.980000
Radius, covalent : 0.980000
Radius, atomic : 0.880000
@@ -277,7 +277,7 @@
Number : 19
Name : Potassium
Short name : K
-Color : 0.811764705882,0.239215686275,0.423529411765
+Color : 0.55,0.25,0.82
Radius used : 2.030000
Radius, covalent : 2.030000
Radius, atomic : 2.770000
@@ -290,7 +290,7 @@
Number : 20
Name : Calcium
Short name : Ca
-Color : 1.0,1.0,1.0
+Color : 0.23,0.99,0.0
Radius used : 1.740000
Radius, covalent : 1.740000
Radius, atomic : 2.230000
@@ -305,7 +305,7 @@
Number : 21
Name : Scandium
Short name : Sc
-Color : 0.662745098039,0.447058823529,0.313725490196
+Color : 0.89,0.89,0.89
Radius used : 1.440000
Radius, covalent : 1.440000
Radius, atomic : 2.090000
@@ -318,7 +318,7 @@
Number : 22
Name : Titanium
Short name : Ti
-Color : 0.270588235294,0.533333333333,0.686274509804
+Color : 0.74,0.75,0.77
Radius used : 1.320000
Radius, covalent : 1.320000
Radius, atomic : 2.000000
@@ -337,7 +337,7 @@
Number : 23
Name : Vanadium
Short name : V
-Color : 0.270588235294,0.243137254902,0.635294117647
+Color : 0.64,0.64,0.66
Radius used : 1.220000
Radius, covalent : 1.220000
Radius, atomic : 1.920000
@@ -356,7 +356,7 @@
Number : 24
Name : Chromium
Short name : Cr
-Color : 0.807843137255,0.286274509804,0.819607843137
+Color : 0.53,0.59,0.77
Radius used : 1.180000
Radius, covalent : 1.180000
Radius, atomic : 1.850000
@@ -375,7 +375,7 @@
Number : 25
Name : Manganese
Short name : Mn
-Color : 0.752941176471,0.352941176471,0.552941176471
+Color : 0.60,0.47,0.77
Radius used : 1.170000
Radius, covalent : 1.170000
Radius, atomic : 1.790000
@@ -394,7 +394,7 @@
Number : 26
Name : Iron
Short name : Fe
-Color : 1.0,0.0,0.0
+Color : 0.87,0.39,0.19
@@ Diff output truncated at 10240 characters. @@
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