[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [2679] contrib/py/scripts/addons/ io_import_pdb_atomic_blender.py: Some smapp edits
Campbell Barton
ideasman42 at gmail.com
Tue Nov 29 08:33:11 CET 2011
Revision: 2679
http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=2679
Author: campbellbarton
Date: 2011-11-29 07:32:56 +0000 (Tue, 29 Nov 2011)
Log Message:
-----------
Some smapp edits
- bump bl_info to the top since this speeds up initial addon load.
- make ATOM_PDB_ELEMENTS members tuples
- modify ATOM_PDB_ELEMENTS list in place
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 2011-11-28 21:04:39 UTC (rev 2678)
+++ contrib/py/scripts/addons/io_import_pdb_atomic_blender.py 2011-11-29 07:32:56 UTC (rev 2679)
@@ -1,17 +1,3 @@
-#
-#
-# Authors : Clemens Barth (Blendphys at root-1.de), ...
-#
-# Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php
-# Tracker : http://projects.blender.org/tracker/index.php?func=detail&aid=29226&group_id=153&atid=467
-#
-# Start of project : 2011-08-31 by Clemens Barth
-# First publication in Blender : 2011-11-11
-# Last modified : 2011-11-28
-#
-# Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon,
-# dairin0d, PKHG, Valter, etc
-#
# ##### BEGIN GPL LICENSE BLOCK #####
#
# This program is free software; you can redistribute it and/or
@@ -29,11 +15,7 @@
# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
#
# ##### END GPL LICENSE BLOCK #####
-#
-#
-ATOM_PDB_VERSION = "0.9"
-
bl_info = {
"name": "PDB Atomic Blender",
"description": "Loading and manipulating atoms from PDB files",
@@ -48,6 +30,23 @@
"category": "Import-Export"
}
+#
+#
+# Authors : Clemens Barth (Blendphys at root-1.de), ...
+#
+# Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php
+# Tracker : http://projects.blender.org/tracker/index.php?func=detail&aid=29226&group_id=153&atid=467
+#
+# Start of project : 2011-08-31 by Clemens Barth
+# First publication in Blender : 2011-11-11
+# Last modified : 2011-11-28
+#
+# Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon,
+# dairin0d, PKHG, Valter, etc
+#
+
+ATOM_PDB_VERSION = "0.9"
+
import bpy
import io
import sys
@@ -55,7 +54,11 @@
import os
from mathutils import Vector, Matrix
from bpy_extras.io_utils import ImportHelper
-from bpy.props import StringProperty, BoolProperty, EnumProperty, IntProperty, FloatProperty
+from bpy.props import (StringProperty,
+ BoolProperty,
+ EnumProperty,
+ IntProperty,
+ FloatProperty)
# These are variables, which contain the name of the PDB file and
@@ -82,112 +85,113 @@
# charge states for any atom are listed, if existing.
ATOM_PDB_ELEMENTS = [
-[ 1, "Hydrogen", "H", [ 1.0, 1.0, 1.0], 0.32, 0.32, 0.79 , -1 , 1.54 ],
-[ 2, "Helium", "He", [ 0.85, 1.0, 1.0], 0.93, 0.93, 0.49 ],
-[ 3, "Lithium", "Li", [ 0.8, 0.50, 1.0], 1.23, 1.23, 2.05 , 1 , 0.68 ],
-[ 4, "Beryllium", "Be", [ 0.76, 1.0, 0.0], 0.90, 0.90, 1.40 , 1 , 0.44 , 2 , 0.35 ],
-[ 5, "Boron", "B", [ 1.0, 0.70, 0.70], 0.82, 0.82, 1.17 , 1 , 0.35 , 3 , 0.23 ],
-[ 6, "Carbon", "C", [ 0.56, 0.56, 0.56], 0.77, 0.77, 0.91 , -4 , 2.60 , 4 , 0.16 ],
-[ 7, "Nitrogen", "N", [ 0.18, 0.31, 0.97], 0.75, 0.75, 0.75 , -3 , 1.71 , 1 , 0.25 , 3 , 0.16 , 5 , 0.13 ],
-[ 8, "Oxygen", "O", [ 1.0, 0.05, 0.05], 0.73, 0.73, 0.65 , -2 , 1.32 , -1 , 1.76 , 1 , 0.22 , 6 , 0.09 ],
-[ 9, "Fluorine", "F", [ 0.56, 0.87, 0.31], 0.72, 0.72, 0.57 , -1 , 1.33 , 7 , 0.08 ],
-[10, "Neon", "Ne", [ 0.70, 0.89, 0.96], 0.71, 0.71, 0.51 , 1 , 1.12 ],
-[11, "Sodium", "Na", [ 0.67, 0.36, 0.94], 1.54, 1.54, 2.23 , 1 , 0.97 ],
-[12, "Magnesium", "Mg", [ 0.54, 1.0, 0.0], 1.36, 1.36, 1.72 , 1 , 0.82 , 2 , 0.66 ],
-[13, "Aluminium", "Al", [ 0.74, 0.65, 0.65], 1.18, 1.18, 1.82 , 3 , 0.51 ],
-[14, "Silicon", "Si", [ 0.94, 0.78, 0.62], 1.11, 1.11, 1.46 , -4 , 2.71 , -1 , 3.84 , 1 , 0.65 , 4 , 0.42 ],
-[15, "Phosphorus", "P", [ 1.0, 0.50, 0.0], 1.06, 1.06, 1.23 , -3 , 2.12 , 3 , 0.44 , 5 , 0.35 ],
-[16, "Sulfur", "S", [ 1.0, 1.0, 0.18], 1.02, 1.02, 1.09 , -2 , 1.84 , 2 , 2.19 , 4 , 0.37 , 6 , 0.30 ],
-[17, "Chlorine", "Cl", [ 0.12, 0.94, 0.12], 0.99, 0.99, 0.97 , -1 , 1.81 , 5 , 0.34 , 7 , 0.27 ],
-[18, "Argon", "Ar", [ 0.50, 0.81, 0.89], 0.98, 0.98, 0.88 , 1 , 1.54 ],
-[19, "Potassium", "K", [ 0.56, 0.25, 0.83], 2.03, 2.03, 2.77 , 1 , 0.81 ],
-[20, "Calcium", "Ca", [ 0.23, 1.0, 0.0], 1.74, 1.74, 2.23 , 1 , 1.18 , 2 , 0.99 ],
-[21, "Scandium", "Sc", [ 0.90, 0.90, 0.90], 1.44, 1.44, 2.09 , 3 , 0.73 ],
-[22, "Titanium", "Ti", [ 0.74, 0.76, 0.78], 1.32, 1.32, 2.00 , 1 , 0.96 , 2 , 0.94 , 3 , 0.76 , 4 , 0.68 ],
-[23, "Vanadium", "V", [ 0.65, 0.65, 0.67], 1.22, 1.22, 1.92 , 2 , 0.88 , 3 , 0.74 , 4 , 0.63 , 5 , 0.59 ],
-[24, "Chromium", "Cr", [ 0.54, 0.6, 0.78], 1.18, 1.18, 1.85 , 1 , 0.81 , 2 , 0.89 , 3 , 0.63 , 6 , 0.52 ],
-[25, "Manganese", "Mn", [ 0.61, 0.47, 0.78], 1.17, 1.17, 1.79 , 2 , 0.80 , 3 , 0.66 , 4 , 0.60 , 7 , 0.46 ],
-[26, "Iron", "Fe", [ 0.87, 0.4, 0.2], 1.17, 1.17, 1.72 , 2 , 0.74 , 3 , 0.64 ],
-[27, "Cobalt", "Co", [ 0.94, 0.56, 0.62], 1.16, 1.16, 1.67 , 2 , 0.72 , 3 , 0.63 ],
-[28, "Nickel", "Ni", [ 0.31, 0.81, 0.31], 1.15, 1.15, 1.62 , 2 , 0.69 ],
-[29, "Copper", "Cu", [ 0.78, 0.50, 0.2], 1.17, 1.17, 1.57 , 1 , 0.96 , 2 , 0.72 ],
-[30, "Zinc", "Zn", [ 0.49, 0.50, 0.69], 1.25, 1.25, 1.53 , 1 , 0.88 , 2 , 0.74 ],
-[31, "Gallium", "Ga", [ 0.76, 0.56, 0.56], 1.26, 1.26, 1.81 , 1 , 0.81 , 3 , 0.62 ],
-[32, "Germanium", "Ge", [ 0.4, 0.56, 0.56], 1.22, 1.22, 1.52 , -4 , 2.72 , 2 , 0.73 , 4 , 0.53 ],
-[33, "Arsenic", "As", [ 0.74, 0.50, 0.89], 1.20, 1.20, 1.33 , -3 , 2.22 , 3 , 0.58 , 5 , 0.46 ],
-[34, "Selenium", "Se", [ 1.0, 0.63, 0.0], 1.16, 1.16, 1.22 , -2 , 1.91 , -1 , 2.32 , 1 , 0.66 , 4 , 0.50 , 6 , 0.42 ],
-[35, "Bromine", "Br", [ 0.65, 0.16, 0.16], 1.14, 1.14, 1.12 , -1 , 1.96 , 5 , 0.47 , 7 , 0.39 ],
-[36, "Krypton", "Kr", [ 0.36, 0.72, 0.81], 1.31, 1.31, 1.24 ],
-[37, "Rubidium", "Rb", [ 0.43, 0.18, 0.69], 2.16, 2.16, 2.98 , 1 , 1.47 ],
-[38, "Strontium", "Sr", [ 0.0, 1.0, 0.0], 1.91, 1.91, 2.45 , 2 , 1.12 ],
-[39, "Yttrium", "Y", [ 0.58, 1.0, 1.0], 1.62, 1.62, 2.27 , 3 , 0.89 ],
-[40, "Zirconium", "Zr", [ 0.58, 0.87, 0.87], 1.45, 1.45, 2.16 , 1 , 1.09 , 4 , 0.79 ],
-[41, "Niobium", "Nb", [ 0.45, 0.76, 0.78], 1.34, 1.34, 2.08 , 1 , 1.00 , 4 , 0.74 , 5 , 0.69 ],
-[42, "Molybdenum", "Mo", [ 0.32, 0.70, 0.70], 1.30, 1.30, 2.01 , 1 , 0.93 , 4 , 0.70 , 6 , 0.62 ],
-[43, "Technetium", "Tc", [ 0.23, 0.61, 0.61], 1.27, 1.27, 1.95 , 7 , 0.97 ],
-[44, "Ruthenium", "Ru", [ 0.14, 0.56, 0.56], 1.25, 1.25, 1.89 , 4 , 0.67 ],
-[45, "Rhodium", "Rh", [ 0.03, 0.49, 0.54], 1.25, 1.25, 1.83 , 3 , 0.68 ],
-[46, "Palladium", "Pd", [ 0.0, 0.41, 0.52], 1.28, 1.28, 1.79 , 2 , 0.80 , 4 , 0.65 ],
-[47, "Silver", "Ag", [ 0.75, 0.75, 0.75], 1.34, 1.34, 1.75 , 1 , 1.26 , 2 , 0.89 ],
-[48, "Cadmium", "Cd", [ 1.0, 0.85, 0.56], 1.48, 1.48, 1.71 , 1 , 1.14 , 2 , 0.97 ],
-[49, "Indium", "In", [ 0.65, 0.45, 0.45], 1.44, 1.44, 2.00 , 3 , 0.81 ],
-[50, "Tin", "Sn", [ 0.4, 0.50, 0.50], 1.41, 1.41, 1.72 , -4 , 2.94 , -1 , 3.70 , 2 , 0.93 , 4 , 0.71 ],
-[51, "Antimony", "Sb", [ 0.61, 0.38, 0.70], 1.40, 1.40, 1.53 , -3 , 2.45 , 3 , 0.76 , 5 , 0.62 ],
-[52, "Tellurium", "Te", [ 0.83, 0.47, 0.0], 1.36, 1.36, 1.42 , -2 , 2.11 , -1 , 2.50 , 1 , 0.82 , 4 , 0.70 , 6 , 0.56 ],
-[53, "Iodine", "I", [ 0.58, 0.0, 0.58], 1.33, 1.33, 1.32 , -1 , 2.20 , 5 , 0.62 , 7 , 0.50 ],
-[54, "Xenon", "Xe", [ 0.25, 0.61, 0.69], 1.31, 1.31, 1.24 ],
-[55, "Caesium", "Cs", [ 0.34, 0.09, 0.56], 2.35, 2.35, 3.35 , 1 , 1.67 ],
-[56, "Barium", "Ba", [ 0.0, 0.78, 0.0], 1.98, 1.98, 2.78 , 1 , 1.53 , 2 , 1.34 ],
-[57, "Lanthanum", "La", [ 0.43, 0.83, 1.0], 1.69, 1.69, 2.74 , 1 , 1.39 , 3 , 1.06 ],
-[58, "Cerium", "Ce", [ 1.0, 1.0, 0.78], 1.65, 1.65, 2.70 , 1 , 1.27 , 3 , 1.03 , 4 , 0.92 ],
-[59, "Praseodymium", "Pr", [ 0.85, 1.0, 0.78], 1.65, 1.65, 2.67 , 3 , 1.01 , 4 , 0.90 ],
-[60, "Neodymium", "Nd", [ 0.78, 1.0, 0.78], 1.64, 1.64, 2.64 , 3 , 0.99 ],
-[61, "Promethium", "Pm", [ 0.63, 1.0, 0.78], 1.63, 1.63, 2.62 , 3 , 0.97 ],
-[62, "Samarium", "Sm", [ 0.56, 1.0, 0.78], 1.62, 1.62, 2.59 , 3 , 0.96 ],
-[63, "Europium", "Eu", [ 0.38, 1.0, 0.78], 1.85, 1.85, 2.56 , 2 , 1.09 , 3 , 0.95 ],
-[64, "Gadolinium", "Gd", [ 0.27, 1.0, 0.78], 1.61, 1.61, 2.54 , 3 , 0.93 ],
-[65, "Terbium", "Tb", [ 0.18, 1.0, 0.78], 1.59, 1.59, 2.51 , 3 , 0.92 , 4 , 0.84 ],
-[66, "Dysprosium", "Dy", [ 0.12, 1.0, 0.78], 1.59, 1.59, 2.49 , 3 , 0.90 ],
-[67, "Holmium", "Ho", [ 0.0, 1.0, 0.61], 1.58, 1.58, 2.47 , 3 , 0.89 ],
-[68, "Erbium", "Er", [ 0.0, 0.90, 0.45], 1.57, 1.57, 2.45 , 3 , 0.88 ],
-[69, "Thulium", "Tm", [ 0.0, 0.83, 0.32], 1.56, 1.56, 2.42 , 3 , 0.87 ],
-[70, "Ytterbium", "Yb", [ 0.0, 0.74, 0.21], 1.74, 1.74, 2.40 , 2 , 0.93 , 3 , 0.85 ],
-[71, "Lutetium", "Lu", [ 0.0, 0.67, 0.14], 1.56, 1.56, 2.25 , 3 , 0.85 ],
-[72, "Hafnium", "Hf", [ 0.30, 0.76, 1.0], 1.44, 1.44, 2.16 , 4 , 0.78 ],
-[73, "Tantalum", "Ta", [ 0.30, 0.65, 1.0], 1.34, 1.34, 2.09 , 5 , 0.68 ],
-[74, "Tungsten", "W", [ 0.12, 0.58, 0.83], 1.30, 1.30, 2.02 , 4 , 0.70 , 6 , 0.62 ],
-[75, "Rhenium", "Re", [ 0.14, 0.49, 0.67], 1.28, 1.28, 1.97 , 4 , 0.72 , 7 , 0.56 ],
-[76, "Osmium", "Os", [ 0.14, 0.4, 0.58], 1.26, 1.26, 1.92 , 4 , 0.88 , 6 , 0.69 ],
-[77, "Iridium", "Ir", [ 0.09, 0.32, 0.52], 1.27, 1.27, 1.87 , 4 , 0.68 ],
@@ Diff output truncated at 10240 characters. @@
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