Author: bugman
Date: Tue Jun 28 22:26:32 2011
New Revision: 13276
URL: http://svn.gna.org/viewcvs/relax?rev=13276&view=rev
Log:
The auto NOE analysis page has been redesigned around the new results viewer
window design.
Modified:
branches/gui_testing/gui/analyses/auto_noe.py
Modified: branches/gui_testing/gui/analyses/auto_noe.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_noe.py?rev=13276&r1=13275&r2=13276&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_noe.py (original)
+++ branches/gui_testing/gui/analyses/auto_noe.py Tue Jun 28 22:26:32 2011
@@ -96,9 +96,11 @@
ds.relax_gui.analyses[data_index].ref_rmsd = 1000
ds.relax_gui.analyses[data_index].sat_rmsd = 1000
ds.relax_gui.analyses[data_index].save_dir = self.gui.launch_dir
+ ds.relax_gui.analyses[data_index].results_list = []
# Alias the data.
self.data = ds.relax_gui.analyses[data_index]
+ self.data_index = data_index
# The parent GUI element for this class.
self.parent = wx.Panel(notebook, -1)
@@ -285,9 +287,9 @@
# Start the thread (if not debugging).
if status.debug:
- self.thread = Execute(self.gui, data)
+ self.thread = Execute(self.gui, data, self.data_index)
else:
- self.thread = Execute_thread(self.gui, data)
+ self.thread = Execute_thread(self.gui, data, self.data_index)
self.thread.start()
# Terminate the event.
@@ -469,18 +471,21 @@
class Execute:
"""The NOE analysis execution object."""
- def __init__(self, gui, data):
+ def __init__(self, gui, data, data_index):
"""Set up the NOE analysis execution object.
- @param gui: The GUI object.
- @type gui: wx object
- @param data: The data container with all data for the analysis.
- @type data: class instance
+ @param gui: The GUI object.
+ @type gui: wx object
+ @param data: The data container with all data for the
analysis.
+ @type data: class instance
+ @param data_index: The index of the analysis in the relax data
store.
+ @type data_index: int
"""
# Store the args.
self.gui = gui
self.data = data
+ self.data_index = data_index
# Execute.
self.run()
@@ -496,33 +501,26 @@
sys.stdout = redir
sys.stderr = redir
- # Print a header in the controller.
- header = 'Starting NOE calculation'
- underline = '-' * len(header)
- wx.CallAfter(self.gui.controller.log_panel.AppendText,
(header+'\n\n'))
- time.sleep(0.5)
-
# Execute.
NOE_calc(seq_args=self.data.seq_args, pipe_name=self.data.pipe_name,
noe_ref=self.data.ref_file, noe_ref_rmsd=self.data.ref_rmsd,
noe_sat=self.data.sat_file, noe_sat_rmsd=self.data.sat_rmsd,
unresolved=self.data.unresolved, pdb_file=self.data.structure_file,
output_file=self.data.filename, results_dir=self.data.save_dir,
int_method='height', heteronuc=self.data.heteronuc, proton=self.data.proton,
heteronuc_pdb='@N')
- # Feedback about success.
- if not status.debug:
- wx.CallAfter(self.gui.controller.log_panel.AppendText,
'\n\n__________________________________________________________\n\nSuccessfully
calculated NOE
values\n__________________________________________________________')
-
- # Add noe grace plot to results list.
-
self.gui.list_noe.Append(self.data.save_dir+sep+'grace'+sep+'noe.agr')
-
- # Add noe grace plot to relax data store.
-
ds.relax_gui.results_noe.append(self.data.save_dir+sep+'grace'+sep+'noe.agr')
-
- # Create color coded structure pymol macro.
- color_code_noe(self.data.save_dir, self.data.structure_file)
-
- # add macro to results tab
- self.gui.list_noe.Append(self.data.save_dir+sep+'noe.pml')
-
- # Add noe macro to relax data store.
- ds.relax_gui.results_noe.append(self.data.save_dir+sep+'noe.pml')
+ # Alias the relax data store data.
+ data = ds.relax_gui.analyses[self.data_index]
+
+ # Is there a results list (old results file support)?
+ if not hasattr(data, 'results_list'):
+ data.results_list = []
+
+ # Add the NOE grace plot to the results list.
+ data.results_list.append(data.save_dir+sep+'grace'+sep+'noe.agr')
+
+ # Create a PyMOL macro, if a structure exists.
+ if hasattr(data, 'structure_file'):
+ # The macro.
+ color_code_noe(data.save_dir, data.structure_file)
+
+ # Add the macro to the results list.
+ data.results_list.append(data.save_dir+sep+'noe.pml')
@@ -532,15 +530,18 @@
def __init__(self, gui, data):
"""Set up the NOE analysis thread execution object.
- @param gui: The GUI object.
- @type gui: wx object
- @param data: The data container with all data for the analysis.
- @type data: class instance
+ @param gui: The GUI object.
+ @type gui: wx object
+ @param data: The data container with all data for the
analysis.
+ @type data: class instance
+ @param data_index: The index of the analysis in the relax data
store.
+ @type data_index: int
"""
# Store the args.
self.gui = gui
self.data = data
+ self.data_index = data_index
# Set up the thread object.
Thread.__init__(self)
r13276 - /branches/gui_testing/gui/analyses/auto_noe.py