Пример #1
0
    def OnMdfCompare(self, event):
        """Compare multiple averaged macroscopic dielectric functions"""
        mdf_type = self.getMdfType()
        cplx_mode = self.getCplxMode()

        if mdf_type == "ALL":
            return awx.showErrorMessage(self, "ALL is not supported by Compare. Please use EXC, RPA, GWRPA")

        plotter = MdfPlotter()
        for path, mdf_file in zip(self.mdf_filepaths, self.mdf_files_list):
            label = os.path.relpath(path)
            mdf = mdf_file.get_mdf(mdf_type)
            plotter.add_mdf(label, mdf)

        plotter.plot(cplx_mode, qpoint=None)
Пример #2
0
    def onCompareSpectraQ(self, event):
        """
        Compare different MDF(q) spectra (provided that we have multiple tabs in the notebook).
        This callback is executed when MdfQpointsPanel fires CompareSpectraQEvent.
        """
        qpoint = event.qpoint
        mdf_type = self.getMdfType()
        cplx_mode = self.getCplxMode()

        if mdf_type == "ALL":
            return awx.showErrorMessage(self, "ALL is not supported by Compare. Please use EXC, RPA, GWRPA")

        plotter = MdfPlotter()
                                                                            
        # Extract the type of MDF we are interested in
        for path, mdf_file in zip(self.mdf_filepaths, self.mdf_files_list):
            label = os.path.relpath(path)
            mdf = mdf_file.get_mdf(mdf_type)
            plotter.add_mdf(label, mdf)

        plotter.plot(cplx_mode, qpoint=qpoint)
Пример #3
0
    def OnMdfCompare(self, event):
        """Compare multiple averaged macroscopic dielectric functions"""
        mdf_type = self.getMdfType()
        cplx_mode = self.getCplxMode()

        if mdf_type == "ALL":
            return awx.showErrorMessage(self, "ALL is not supported by Compare. Please use EXC, RPA, GWRPA")

        plotter = MdfPlotter()
        for path, mdf_file in zip(self.mdf_filepaths, self.mdf_files_list):
            label = os.path.relpath(path)
            mdf = mdf_file.get_mdf(mdf_type)
            plotter.add_mdf(label, mdf)

        plotter.plot(cplx_mode, qpoint=None)
Пример #4
0
    def onCompareSpectraQ(self, event):
        """
        Compare different MDF(q) spectra (provided that we have multiple tabs in the notebook).
        This callback is executed when MdfQpointsPanel fires CompareSpectraQEvent.
        """
        qpoint = event.qpoint
        mdf_type = self.getMdfType()
        cplx_mode = self.getCplxMode()

        if mdf_type == "ALL":
            return awx.showErrorMessage(self, "ALL is not supported by Compare. Please use EXC, RPA, GWRPA")

        plotter = MdfPlotter()

        # Extract the type of MDF we are interested in
        for path, mdf_file in zip(self.mdf_filepaths, self.mdf_files_list):
            label = os.path.relpath(path)
            mdf = mdf_file.get_mdf(mdf_type)
            plotter.add_mdf(label, mdf)

        plotter.plot(cplx_mode, qpoint=qpoint)
Пример #5
0
 def get_mdf_plotter(self):
     from abipy.electrons.bse import MdfPlotter
     plotter = MdfPlotter()
     for label, mdf in self:
         plotter.add_mdf(label, mdf.exc_mdf)
     return plotter