Exemplo n.º 1
0
 def on_btnShowGraph_clicked(self, clicked=None):
     """ show the graph of minima and transition states 
     
     make it interactive, so that when you click on a point
     that minima is selected
     """
     if clicked is None: return
     self.pick_count = 0
     from pygmin.gui.graph_viewer import GraphViewDialog
     if not hasattr(self, "graphview"):
         self.graphview = GraphViewDialog(self.system.database,
                                          parent=self,
                                          app=self.app)
         self.graphview.widget.on_minima_picked.connect(
             self.on_minimum_picked)
         self.graphview.widget.on_minima_picked.connect(self.SelectMinimum)
     self.graphview.show()
     self.graphview.widget.make_graph()
     self.graphview.widget.show_graph()
     return