Ejemplo n.º 1
0
    def OnComparePhdos(self, event):
        """Plot multiple phonon DOSes"""

        plotter = PhononDosPlotter()
        for path, phdos in zip(self.phdos_filepaths, self.phdos_list):
            try:
                label = os.path.relpath(path)
                plotter.add_phdos(label, phdos)
            except:
                awx.showErrorMessage(self)

        plotter.plot()
Ejemplo n.º 2
0
    def OnComparePhdos(self, event):
        """Plot multiple phonon DOSes"""

        plotter = PhononDosPlotter()
        for path, phdos in zip(self.phdos_filepaths, self.phdos_list):
            try:
                label = os.path.relpath(path)
                plotter.add_phdos(label, phdos)
            except:
                awx.showErrorMessage(self)

        plotter.plot()
Ejemplo n.º 3
0
 def OnPhbandsDos(self, event):
     """Open Frame for the computation of the DOS."""
     if not self.phdos:
         awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
     else:
         plotter = PhononDosPlotter()
         try:
             label = os.path.relpath(self.active_phdos_file.filepath)
             plotter.add_phdos(label, self.phdos)
         except:
             awx.showErrorMessage(self)
         plotter.plot()
Ejemplo n.º 4
0
 def OnPhbandsDos(self, event):
     """Open Frame for the computation of the DOS."""
     if not self.phdos:
         awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
     else:
         plotter = PhononDosPlotter()
         try:
             label = os.path.relpath(self.active_phdos_file.filepath)
             plotter.add_phdos(label, self.phdos)
         except:
             awx.showErrorMessage(self)
         plotter.plot()