r23783 - /branches/frame_order_cleanup/pipe_control/pymol_control.py -- June 10, 2014 - 10:21

Author: bugman
Date: Tue Jun 10 10:21:27 2014
New Revision: 23783

URL: http://svn.gna.org/viewcvs/relax?rev=23783&view=rev
Log:
Modified the pymol.cone_pdb and pymol.frame_order user functions to use PyMOL 
IDs.

The PyMOL IDs are used to select individual objects in PyMOL rather than all 
objects so that the
subsequent PyMOL commands will only be applied to that object.  This allows 
for multiple objects to
be handled simultaneously.


Modified:
    branches/frame_order_cleanup/pipe_control/pymol_control.py

Modified: branches/frame_order_cleanup/pipe_control/pymol_control.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/pipe_control/pymol_control.py?rev=23783&r1=23782&r2=23783&view=diff
==============================================================================
--- branches/frame_order_cleanup/pipe_control/pymol_control.py  (original)
+++ branches/frame_order_cleanup/pipe_control/pymol_control.py  Tue Jun 10 
10:21:27 2014
@@ -281,11 +281,14 @@
     # Read in the cone PDB file.
     pymol_obj.exec_cmd("load " + file)
 
+    # The object ID.
+    id = file_root(file)
+
     # The cone axes.
-    represent_cone_axis()
+    represent_cone_axis(id=id)
 
     # The cone object.
-    represent_cone_object()
+    represent_cone_object(id=id)
 
 
 def create_macro(data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None):
@@ -379,13 +382,13 @@
     id = file_root(file)
 
     # Set up the rotor objects.
-    represent_rotor_object()
+    represent_rotor_object(id=id)
 
     # Set up the cone axis.
-    represent_cone_axis()
+    represent_cone_axis(id=id)
 
     # Set up the cone object.
-    represent_cone_object()
+    represent_cone_object(id=id)
 
 
 def macro_apply(data_type=None, style="classic", colour_start_name=None, 
colour_start_rgb=None, colour_end_name=None, colour_end_rgb=None, 
colour_list=None):
@@ -549,11 +552,19 @@
     add_result_file(type='pymol', label='PyMOL', file=file_path)
 
 
-def represent_cone_axis():
-    """Set up the PyMOL cone axis representation."""
+def represent_cone_axis(id=None):
+    """Set up the PyMOL cone axis representation.
+
+    @keyword id:    The PyMOL object ID.
+    @type id:       str
+    """
+
+    # Sanity check.
+    if id == None:
+        raise RelaxError("The PyMOL object ID must be supplied.")
 
     # Select the AVE, AXE, and SIM residues.
-    pymol_obj.exec_cmd("select (resn AVE,AXE,SIM)")
+    pymol_obj.exec_cmd("select (%s & resn AVE,AXE,SIM)" % id)
 
     # Show the vector as a stick.
     pymol_obj.exec_cmd("show stick, 'sele'")
@@ -562,7 +573,7 @@
     pymol_obj.exec_cmd("color cyan, 'sele'")
 
     # Select the atom used for labelling.
-    pymol_obj.exec_cmd("select (resn AVE,AXE,SIM and symbol N)")
+    pymol_obj.exec_cmd("select (%s & resn AVE,AXE,SIM and symbol N)" % id)
 
     # Hide the atom.
     pymol_obj.exec_cmd("hide ('sele')")
@@ -574,11 +585,19 @@
     pymol_obj.exec_cmd("cmd.delete('sele')")
 
 
-def represent_cone_object():
-    """Set up the PyMOL cone object representation."""
+def represent_cone_object(id=None):
+    """Set up the PyMOL cone object representation.
+
+    @keyword id:    The PyMOL object ID.
+    @type id:       str
+    """
+
+    # Sanity check.
+    if id == None:
+        raise RelaxError("The PyMOL object ID must be supplied.")
 
     # Select the CON and EDG residues.
-    pymol_obj.exec_cmd("select (resn CON,EDG)")
+    pymol_obj.exec_cmd("select (%s & resn CON,EDG)" % id)
 
     # Hide everything.
     pymol_obj.exec_cmd("hide ('sele')")
@@ -599,24 +618,32 @@
     pymol_obj.exec_cmd("cmd.delete('sele')")
 
 
-def represent_rotor_object():
-    """Set up the PyMOL rotor object representation."""
+def represent_rotor_object(id=None):
+    """Set up the PyMOL rotor object representation.
+
+    @keyword id:    The PyMOL object ID.
+    @type id:       str
+    """
+
+    # Sanity check.
+    if id == None:
+        raise RelaxError("The PyMOL object ID must be supplied.")
 
     # Rotor objects:  Set up the rotor axis (the residues AX and PRC).
-    pymol_obj.exec_cmd("select (resn AX,PRC)")
+    pymol_obj.exec_cmd("select (%s & resn AX,PRC)" % id)
     pymol_obj.exec_cmd("show stick, 'sele'")
     pymol_obj.exec_cmd("color red, 'sele'")
     pymol_obj.exec_cmd("cmd.delete('sele')")
 
     # Rotor objects:  Display the central point.
-    pymol_obj.exec_cmd("select (name CTR)")
+    pymol_obj.exec_cmd("select (%s & name CTR)" % id)
     pymol_obj.exec_cmd("show spheres, 'sele'")
     pymol_obj.exec_cmd("color red, 'sele'")
     pymol_obj.exec_cmd("set sphere_scale, 0.3, 'sele'")
     pymol_obj.exec_cmd("cmd.delete('sele')")
 
     # Rotor objects:  Set up the propellers.
-    pymol_obj.exec_cmd("select (resn PRB)")
+    pymol_obj.exec_cmd("select (%s & resn PRB)" % id)
     pymol_obj.exec_cmd("show stick, 'sele'")
     pymol_obj.exec_cmd("set stick_radius, 0.15, 'sele'")
     pymol_obj.exec_cmd("cmd.delete('sele')")