new feature: assign labels to datasets in xce-coot interface

xchem · Dec 12, 2018 · 5f32ba4 · 5f32ba4
1 parent ccbf8a9
commit 5f32ba4
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Showing 2 changed files with 13 additions and 5 deletions.
diff --git a/XChemExplorer.py b/XChemExplorer.py
@@ -1746,10 +1746,11 @@ def update_database_with_pdb_codes(self):
         self.work_thread.start()
 
     def update_database_with_labelInfo(self):
-        for l in self.labelList:
+        for n,l in enumerate(self.labelList):
             label = str(l[0].text())
             description = str(l[1].text())
-            self.db.execute_statement("update labelTable set Label='%s',set Description='%s'" %(label,description))
+            print "update labelTable set Label='%s',Description='%s' where ID=%s" %(label,description,str(n+1))
+            self.db.execute_statement("update labelTable set Label='%s',Description='%s' where ID=%s" %(label,description,str(n+1)))
             print label,description
 
     def load_deposit_config_file(self):

diff --git a/lib/XChemCootNew.py b/lib/XChemCootNew.py
@@ -210,7 +210,8 @@ def StartGUI(self):
         # --- refinement protocol ---
         frame = gtk.Frame()
         self.refinementProtocolcheckbox = gtk.CheckButton('giant.quick_refine (REFMAC - default for PanDDA refinement)')
-        self.refinementProtocolcheckbox.connect("toggled", self.refinementProtocolCallback)
+        # callback is defined later
+#        self.refinementProtocolcheckbox.connect("toggled", self.refinementProtocolCallback)
         self.refinementProtocolcheckbox.set_active(True)
         frame.add(self.refinementProtocolcheckbox)
         self.vbox.pack_start(frame)
@@ -585,6 +586,7 @@ def StartGUI(self):
         # if the label has not been set yet
         labels.append('not_shown')
         for n, l in enumerate(labels):
+            print n,l
             if n == 0:
                 new_button = gtk.RadioButton(None, l)
             else:
@@ -679,6 +681,11 @@ def StartGUI(self):
         #        self.DEPOSITbutton = gtk.Button(label="prepare for deposition")
 
 
+        # need to put it here, because attributes within refinementProtocolCallback function
+        # are defined after checkbox is defined
+        self.refinementProtocolcheckbox.connect("toggled", self.refinementProtocolCallback)
+
+
         # --- CANCEL button ---
         self.CANCELbutton = gtk.Button(label="CANCEL")
         self.CANCELbutton.connect("clicked", self.CANCEL)
@@ -1355,14 +1362,14 @@ def show_molprobity_to_do(self, widget):
 
     def refinementProtocolCallback(self, widget):
         if widget.get_active():
-            if self.refinementProgramcheckbox.get_active():
+            if self.refinementProtocolcheckbox.get_active():
                 self.refinementProtocol = 'pandda_phenix'
             else:
                 self.refinementProtocol = 'pandda_refmac'
             self.PREVbuttonSite.set_sensitive(True)
             self.NEXTbuttonSite.set_sensitive(True)
         else:
-            self.refinementProgramcheckbox.set_active(False)
+            self.refinementProtocolcheckbox.set_active(False)
             self.refinementProtocol = 'refmac'
             self.PREVbuttonSite.set_sensitive(False)
             self.NEXTbuttonSite.set_sensitive(False)