def __init__(self, parent, mdf_file, **kwargs):
KpointsPanel.__init__(self, parent, mdf_file.structure, mdf_file.qpoints)
self.parent = parent
self.mdf_file = mdf_file
# Connect the events fired by klist_ctrl.
self.klist_ctrl.Bind(wx.EVT_LIST_ITEM_ACTIVATED, self.onQpointActivated)
def __init__(self, parent, mdf_file, **kwargs):
KpointsPanel.__init__(self, parent, mdf_file.structure, mdf_file.qpoints)
self.parent = parent
self.mdf_file = mdf_file
# Connect the events fired by klist_ctrl.
self.klist_ctrl.Bind(wx.EVT_LIST_ITEM_ACTIVATED, self.onQpointActivated)
def __init__(self, parent, gsr, **kwargs):
"""
Args:
parent:
parent window.
gsr:
`GsrFile` instance.
"""
super(GsrFileTab, self).__init__(parent, -1, **kwargs)
self.gsr = gsr
splitter = wx.SplitterWindow(self, id=-1, style=wx.SP_3D)
splitter.SetSashGravity(0.95)
self.kpoints_panel = KpointsPanel(splitter, gsr.structure, gsr.kpoints)
# Add Python shell
msg = "GSR_File object is accessible via the gsr variable. Use gsr.<TAB> to access the list of methods."
msg = marquee(msg, width=len(msg) + 8, mark="#")
msg = "#" * len(msg) + "\n" + msg + "\n" + "#" * len(msg) + "\n"
pyshell = Shell(splitter, introText=msg, locals={"gsr": self.gsr})
splitter.SplitHorizontally(self.kpoints_panel, pyshell)
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add(splitter, 1, wx.EXPAND, 5)
self.SetSizerAndFit(sizer)
def __init__(self, parent, phbst, **kwargs):
"""
Args:
parent:
parent window.
phbst:
`PhbstFile` instance.
"""
super(PhbstFileTab, self).__init__(parent, -1, **kwargs)
self.phbst = phbst
self.phdos_file = None
splitter = wx.SplitterWindow(self, id=-1, style=wx.SP_3D)
splitter.SetSashGravity(0.95)
self.qpoints_panel = KpointsPanel(splitter, phbst.structure, phbst.qpoints)
# Add Python shell
msg = "PHBST_File object is accessible via the phbst variable. Use phbst.<TAB> to access the list of methods."
msg = marquee(msg, width=len(msg) + 8, mark="#")
msg = "#"*len(msg) + "\n" + msg + "\n" + "#"*len(msg) + "\n"
pyshell = Shell(splitter, introText=msg, locals={"phbst": self.phbst})
splitter.SplitHorizontally(self.qpoints_panel, pyshell)
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add(splitter, 1, wx.EXPAND, 5)
self.SetSizerAndFit(sizer)
#!/usr/bin/env python
import wx
import abipy.data as abidata
from abipy.abilab import abiopen
from abipy.gui.kpoints import KpointsPanel
gsr = abiopen(abidata.ref_file("si_nscf_GSR.nc"))
app = wx.App()
frame = wx.Frame(None, -1)
KpointsPanel(frame, gsr.structure, gsr.kpoints)
app.SetTopWindow(frame)
frame.Show()
app.MainLoop()
gsr.close()