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()