Author: bugman
Date: Tue Jul 12 18:22:32 2011
New Revision: 13562
URL: http://svn.gna.org/viewcvs/relax?rev=13562&view=rev
Log:
Updated the automatic Rx analysis page to match that of the NOE.
This includes creating the data pipe when the analysis is created, replacing
the sequence file,
structure file, and unresolved elements with the spin loader GUI element, and
registering the spin
loader for update upon user function completion.
Modified:
branches/gui_testing/gui/analyses/auto_rx_base.py
Modified: branches/gui_testing/gui/analyses/auto_rx_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_rx_base.py?rev=13562&r1=13561&r2=13562&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_rx_base.py (original)
+++ branches/gui_testing/gui/analyses/auto_rx_base.py Tue Jul 12 18:22:32 2011
@@ -26,7 +26,7 @@
# Python module imports.
from os import sep
-from string import replace
+from string import lower, replace
import sys
import time
import wx
@@ -46,7 +46,7 @@
from gui.derived_wx_classes import StructureTextCtrl
from gui.filedialog import opendir
from gui.message import error_message, missing_data
-from gui.misc import add_border
+from gui.misc import add_border, gui_to_str, str_to_gui
from gui import paths
from gui.settings import load_sequence
@@ -94,6 +94,10 @@
ds.relax_gui.analyses[data_index].ncyc = []
ds.relax_gui.analyses[data_index].relax_times = []
ds.relax_gui.analyses[data_index].save_dir = self.gui.launch_dir
+ ds.relax_gui.analyses[data_index].results_list = []
+
+ # Create the data pipe.
+ self.gui.user_functions.interpreter.pipe.create(pipe_name,
'relax_fit')
# Alias the data.
self.data = ds.relax_gui.analyses[data_index]
@@ -111,6 +115,9 @@
# Build and pack the main sizer box, then add it to the automatic
model-free analysis frame.
self.build_main_box(box_centre)
+
+ # Register the method for updating the spin count for the completion
of user functions.
+ self.gui.user_functions.register_observer(self.data.pipe_name,
self.update_spin_count)
def assemble_data(self):
@@ -215,19 +222,13 @@
self.add_title(box, "Setup for %s relaxation analysis" % self.label)
# Add the frequency selection GUI element.
- self.field_nmr_frq = self.add_text_sel_element(box, self.parent,
text="NMR Frequency [MHz]", default=str(self.data.frq))
+ self.field_nmr_frq = self.add_text_sel_element(box, self.parent,
text="NMR Frequency [MHz]", default=self.data.frq, tooltip="This label is
added to the output files. For example if the label is '600', %s values will
be located in the file '%s.600.out'." % (self.label, lower(self.label)))
# Add the results directory GUI element.
self.field_results_dir = self.add_text_sel_element(box, self.parent,
text="Results directory", icon=paths.icon_16x16.open_folder,
default=self.data.save_dir, fn=self.results_directory, button=True)
- # Add the sequence file selection GUI element.
- self.field_sequence = self.add_text_sel_element(box, self.parent,
text="Sequence file", default=str(self.gui.sequence_file_msg),
fn=self.load_sequence, editable=False, button=True)
-
- # Add the structure file selection GUI element.
- self.field_structure = self.add_text_sel_element(box, self.parent,
text="Sequence from PDB structure file",
default=self.gui.structure_file_pdb_msg, control=StructureTextCtrl,
fn='open_file', editable=False, button=True)
-
- # Add the unresolved spins GUI element.
- self.field_unresolved = self.add_text_sel_element(box, self.parent,
text="Unresolved residues")
+ # Add the spin GUI element.
+ self.add_spin_systems(box, self.parent)
# Add the peak list selection GUI element, with spacing.
box.AddSpacer(10)
@@ -241,6 +242,13 @@
return box
+ def delete(self):
+ """Unregister the spin count from the user functions."""
+
+ # Remove.
+ self.gui.user_functions.unregister_observer(self.data.pipe_name)
+
+
def execute(self, event):
"""Set up, execute, and process the automatic Rx analysis.
@@ -252,6 +260,7 @@
status = Status()
if status.exec_lock.locked():
error_message("relax is currently executing.", "relax execution
lock")
+ event.Skip()
return
# Synchronise the frame data to the relax data store.
@@ -278,6 +287,20 @@
self.thread = Execute_rx(self.gui, data, self.data_index,
thread=thread)
self.thread.start()
+ # Terminate the event.
+ event.Skip()
+
+
+ def launch_spin_editor(self, event):
+ """The spin editor GUI element.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Show the molecule, residue, and spin tree window.
+ self.gui.show_tree(None)
+
def load_sequence(self, event):
"""The sequence loading GUI element.
@@ -332,35 +355,15 @@
# The frequency.
if upload:
- self.data.frq = str(self.field_nmr_frq.GetValue())
- elif hasattr(self.data, 'frq'):
- self.field_nmr_frq.SetValue(str(self.data.frq))
+ self.data.frq = gui_to_str(self.field_nmr_frq.GetValue())
+ else:
+ self.field_nmr_frq.SetValue(str_to_gui(self.data.frq))
# The results directory.
if upload:
- self.data.save_dir = str(self.field_results_dir.GetValue())
- elif hasattr(self.data, 'save_dir'):
- self.field_results_dir.SetValue(str(self.data.save_dir))
-
- # The sequence file.
- if upload:
- file = str(self.field_sequence.GetValue())
- if file != self.gui.sequence_file_msg:
- self.data.sequence_file = str(self.field_sequence.GetValue())
- elif hasattr(self.data, 'sequence_file'):
- self.field_sequence.SetValue(str(self.data.sequence_file))
-
- # The structure file.
- if upload:
- self.data.structure_file = str(self.field_structure.GetValue())
- elif hasattr(self.data, 'structure_file'):
- self.field_structure.SetValue(str(self.data.structure_file))
-
- # Unresolved residues.
- if upload:
- self.data.unresolved = str(self.field_unresolved.GetValue())
- elif hasattr(self.data, 'unresolved'):
- self.field_unresolved.SetValue(str(self.data.unresolved))
+ self.data.save_dir =
gui_to_str(self.field_results_dir.GetValue())
+ else:
+ self.field_results_dir.SetValue(str_to_gui(self.data.save_dir))
# The peak lists and relaxation times.
self.peak_intensity.sync_ds(upload)
r13562 - /branches/gui_testing/gui/analyses/auto_rx_base.py