def OnCompareEdos(self, event):
"""Plot multiple electron DOSes"""
# Open dialog to get DOS parameters.
dialog = ewx.ElectronDosDialog(self)
if dialog.ShowModal() == wx.ID_CANCEL: return
dos_params = dialog.GetParams()
plotter = ElectronDosPlotter()
for path, ebands in zip(self.ebands_filepaths, self.ebands_list):
try:
edos = ebands.get_edos(**dos_params)
label = os.path.relpath(path)
plotter.add_edos(label, edos)
except:
awx.showErrorMessage(self)
plotter.plot()
def test_api(self):
"""Test ElelectronDosPlotter API."""
gsr_path = abidata.ref_file("si_scf_GSR.nc")
gs_bands = ElectronBands.from_file(gsr_path)
edos = gs_bands.get_edos()
plotter = ElectronDosPlotter()
plotter.add_edos("edos1", edos)
plotter.add_edos("edos2",
gsr_path,
edos_kwargs=dict(method="gaussian",
step=0.2,
width=0.4))
assert len(plotter.edos_list) == 2
if self.has_matplotlib():
plotter.combiplot(show=False)
plotter.gridplot(show=False)
if self.has_nbformat():
plotter.write_notebook(nbpath=self.get_tmpname(text=True))
def test_api(self):
"""Testing ElelectronDosPlotter API."""
gsr_path = abidata.ref_file("si_scf_GSR.nc")
gs_bands = ElectronBands.from_file(gsr_path)
si_edos = gs_bands.get_edos()
plotter = ElectronDosPlotter()
plotter.add_edos("edos1", si_edos)
with self.assertRaises(ValueError):
plotter.add_edos("edos1", si_edos)
plotter.add_edos("edos2", gsr_path, edos_kwargs=dict(method="gaussian", step=0.2, width=0.4))
assert len(plotter.edos_list) == 2
assert not plotter._can_use_basenames_as_labels()
if self.has_matplotlib():
assert plotter.combiplot(show=False)
assert plotter.gridplot(show=False)
if self.has_ipywidgets():
assert plotter.ipw_select_plot() is not None
if self.has_nbformat():
assert plotter.write_notebook(nbpath=self.get_tmpname(text=True))
