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)
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)
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)
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)
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