r16835 - /trunk/gui/export_bmrb.py -- June 11, 2012 - 09:31

Author: bugman
Date: Mon Jun 11 09:31:41 2012
New Revision: 16835

URL: http://svn.gna.org/viewcvs/relax?rev=16835&view=rev
Log:
Added checks to the BMRB export to make sure all necessary data has been 
input.

If not, then the Missing_data dialog will be presented to the user to explain 
what is required.


Modified:
    trunk/gui/export_bmrb.py

Modified: trunk/gui/export_bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/gui/export_bmrb.py?rev=16835&r1=16834&r2=16835&view=diff
==============================================================================
--- trunk/gui/export_bmrb.py (original)
+++ trunk/gui/export_bmrb.py Mon Jun 11 09:31:41 2012
@@ -27,6 +27,7 @@
 import wx
 
 # relax module imports.
+from generic_fns.mol_res_spin import molecule_loop
 from generic_fns.pipes import cdp_name, pipe_names, switch
 from graphics import IMAGE_PATH, fetch_icon
 from status import Status; status = Status()
@@ -37,6 +38,7 @@
 from gui.components.relax_data_meta import Relax_data_meta_list
 from gui.components.scripts import Scripts
 from gui.components.software import Software
+from gui.message import Missing_data
 from gui.fonts import font
 from gui.icons import relax_icons
 from gui.input_elements.value import Value
@@ -149,6 +151,14 @@
         @type event:    wx event
         """
 
+        # Checks.
+        missing = self.is_complete()
+
+        # Missing data.
+        if len(missing):
+            Missing_data(missing, parent=self)
+            return
+
         # Execute the user function.
         uf_store['bmrb.write'](wx_parent=self, wx_wizard_sync=True, 
wx_wizard_modal=True)
 
@@ -317,6 +327,52 @@
         event.Skip()
 
 
+    def is_complete(self):
+        """Determine if the data input is complete.
+
+        @return:    A list of all the missing components.
+        @rtype:     list of str
+        """
+
+        # Initialise.
+        missing = []
+
+        # Relaxation data metadata.
+        if hasattr(cdp, 'ri_ids'):
+            # Loop over the data.
+            for i in range(len(cdp.ri_ids)):
+                # Check the peak intensity types.
+                if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'peak_intensity_type') or not cdp.ri_ids[i] in 
cdp.exp_info.peak_intensity_type.keys():
+                    missing.append("The peak intensity type for the 
relaxation data ID '%s'." % cdp.ri_ids[i])
+
+                # Check the temperature calibration methods.
+                if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'temp_calibration') or not cdp.ri_ids[i] in 
cdp.exp_info.temp_calibration.keys():
+                    missing.append("The temperature calibration method for 
the relaxation data ID '%s'." % cdp.ri_ids[i])
+
+                # Check the temperature control methods.
+                if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'temp_control') or not cdp.ri_ids[i] in cdp.exp_info.temp_control.keys():
+                    missing.append("The temperature control method for the 
relaxation data ID '%s'." % cdp.ri_ids[i])
+
+
+        # Loop over the molecules.
+        for mol, mol_id in molecule_loop(return_id=True):
+            # No name.
+            if mol.name == None:
+                missing.append("The name of the molecule for %s." % mol_id)
+                continue
+
+            # No molecule type.
+            if not hasattr(mol, 'type') or mol.type == None:
+                missing.append("The type of the molecule %s." % mol_id)
+
+            # No thiol state.
+            if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'thiol_state'):
+                missing.append("The thiol state of the molecule %s." % 
mol_id)
+
+        # Return the list of missing data.
+        return missing
+
+
     def observer_register(self, remove=False):
         """Register and unregister methods with the observer objects.