def OnClick(self, event):
p = self.dos_panel.GetParams()
if p.step == 1234:
awx.tetris_game()
try:
edos = self.bands.get_dos(step=p.step, width=p.width)
except:
awx.showErrorMessage(self)
return
tot_dos, tot_idos = edos.dos_idos()
label = "$\sigma = %s, step = %s$" % (p.width, p.step)
plotframe = None
if self.replot_checkbox.GetValue() and len(self._pframes):
plotframe = self._pframes[-1]
if plotframe is None:
plotframe = PlotFrame(parent=self)
plotframe.plot(tot_dos.mesh, tot_dos.values, label=label, draw_legend=True)
plotframe.Show()
self._pframes.append(plotframe)
else:
plotframe.oplot(tot_dos.mesh, tot_dos.values, label=label, draw_legend=True)
def OnClick(self, event):
p = self.jdos_panel.GetParams()
try:
self.bands.plot_jdosvc(vrange=p.vrange, crange=p.crange, step=p.step, width=p.width,
cumulative=p.cumulative)
except:
awx.showErrorMessage(self)
def show_task_log_events(parent, task):
file = task.log_file
if file.exists:
AbinitEventsFrame(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Log file %s does not exist" % file.path)
def show_task_main_events(parent, task):
file = task.output_file
if file.exists:
AbinitEventsFrame(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Output file %s does not exist" % file.path)
def show_timer(parent, task):
"""Show timing data of the k."""
try:
frame = AbinitTimerFrame(parent, task.output_file.path)
frame.Show()
except awx.Error as exc:
awx.showErrorMessage(parent, str(exc))
def OnTerminal(self, event):
"""Open a new terminal and ssh to the remote host."""
cluster = self.GetSelectedCluster()
if cluster is None: return
def open_terminal():
"""Try to figure which terminal is available."""
retcode = 1
if retcode and which("gnome-terminal") is not None:
retcode = os.system("gnome-terminal -e 'ssh %s -X'" % cluster.hostname)
if retcode and which("konsole") is not None:
retcode = os.system("konsole -e 'ssh %s -X'" % cluster.hostname)
# This does not work
#retcode = os.system('open -a Terminal -n --args %s -X" % cluster.hostname")
if retcode: # Fallback to xterm.
retcode = os.system("xterm -e ssh %s -X" % cluster.hostname)
return retcode
# FIXME: Fix possible problem when the user tries to close the GUI
# with active terminals (maintain a list of treads and prevent the user from closing the GUI if threads?)
try:
thread = awx.WorkerThread(self, target=open_terminal)
thread.start()
except:
awx.showErrorMessage(self)
def showAbinitTimerFrame(parent, filepath):
"""Open a dialog reporting file stats."""
try:
frame = AbinitTimerFrame(parent, filepath)
frame.Show()
except awx.Error as exc:
awx.showErrorMessage(parent, str(exc))
def onOpenButton(self, event):
wcard = self.getWildCard()
smode = self.getSelectionMode()
print("wcard", wcard, "smode", smode)
# Find the filepaths according to smode.
filepaths = []
if smode == "Selected Workflow":
work = self.viewer.GetSelectedWork()
for task in work:
filepaths.extend(task.outdir.list_filepaths(wildcard=wcard))
elif smode == "Entire Flow":
for work in self.viewer.flow:
for task in work:
filepaths.extend(task.outdir.list_filepaths(wildcard=wcard))
else:
return awx.showErrorMessage(self, "Wrong value of smode: %s" % smode)
if not filepaths:
return awx.showErrorMessage(self, "Cannot find any file matching the specified shell pattern")
print("filepaths", filepaths)
# Get the viewer class associated to these files, build the frame and show it.
frame_class = frameclass_from_filepath(filepaths[0])
if frame_class is None: return
frame_class(self, filepaths).Show()
def OnClick(self, event):
p = self.dos_panel.GetParams()
if p.step == 1234:
awx.tetris_game()
try:
edos = self.bands.get_edos(step=p.step, width=p.width)
except:
awx.showErrorMessage(self)
return
tot_dos, tot_idos = edos.dos_idos()
label = "$\sigma = %s, step = %s$" % (p.width, p.step)
plotframe = None
if self.replot_checkbox.GetValue() and len(self._pframes):
plotframe = self._pframes[-1]
if plotframe is None:
plotframe = PlotFrame(parent=self)
plotframe.plot(tot_dos.mesh,
tot_dos.values,
label=label,
draw_legend=True)
plotframe.Show()
self._pframes.append(plotframe)
else:
plotframe.oplot(tot_dos.mesh,
tot_dos.values,
label=label,
draw_legend=True)
def show_timer(parent, task):
"""Show timing data of the k."""
try:
frame = AbinitTimerFrame(parent, task.output_file.path)
frame.Show()
except awx.Error as exc:
awx.showErrorMessage(parent, str(exc))
def onOpenButton(self, event):
wcard = self.getWildCard()
smode = self.getSelectionMode()
print("wcard", wcard, "smode", smode)
# Find the filepaths according to smode.
filepaths = []
if smode == "Selected Workflow":
work = self.viewer.GetSelectedWork()
for task in work:
filepaths.extend(task.outdir.list_filepaths(wildcard=wcard))
elif smode == "Entire Flow":
for work in self.viewer.flow:
for task in work:
filepaths.extend(task.outdir.list_filepaths(wildcard=wcard))
else:
return awx.showErrorMessage(self, "Wrong value of smode: %s" % smode)
if not filepaths:
return awx.showErrorMessage(self, "Cannot find any file matching the specified shell pattern")
print("filepaths", filepaths)
# Get the viewer class associated to these files, build the frame and show it.
frame_class = frameclass_from_filepath(filepaths[0])
if frame_class is None: return
frame_class(self, filepaths).Show()
def onVisualizeSKB(self, event):
"""
Calls the visualizer to visualize the specified wavefunction.
Use the approach described in http://wiki.wxpython.org/LongRunningTasks
to make the Gui responsive one can use
"""
#print("in new" ,event.skb)
spin, kpoint, band = event.skb
visu_name = self.GetVisualizer()
if visu_name == "None": return
self.statusbar.PushStatusText(
"Visualizing wavefunction (spin=%d, kpoint=%s, band=%d)" %
(spin, kpoint, band))
try:
visu = self.wfk.visualize_ur2(spin,
kpoint,
band,
visu_name=visu_name)
thread = awx.WorkerThread(self, target=visu)
thread.start()
except:
awx.showErrorMessage(self)
def showAbinitTimerFrame(parent, filepath):
"""Open a dialog reporting file stats."""
try:
frame = AbinitTimerFrame(parent, filepath)
frame.Show()
except awx.Error as exc:
awx.showErrorMessage(parent, str(exc))
def OnComparePhbands(self, event):
"""Plot multiple phonon bands"""
dialog = ewx.BandsCompareDialog(self, self.phbands_filepaths)
if dialog.ShowModal() == wx.ID_CANCEL: return
try:
selected = dialog.GetSelectedIndices()
except:
awx.showErrorMessage(self)
plotter = PhononBandsPlotter()
# for path, phbands in zip(self.phbands_filepaths, self.phbands_list):
# label = os.path.relpath(path)
# plotter.add_phbands(label, phbands)
for i in selected:
label = os.path.relpath(self.phbands_filepaths[i])
plotter.add_phbands(label, self.phbands_list[i])
try:
print(plotter.bands_statdiff())
except:
pass
plotter.plot()
def AppendFilepath(self, abspath):
"""Add a file to the panel."""
if self.HasAbsPath(abspath):
awx.showErrorMessage(self,
message="%s is already in the list" % abspath)
return self._AppendFilepath(abspath)
def show_task_log(parent, task):
"""Show the log file of the task."""
file = task.log_file
if file.exists:
frame_from_filepath(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Output file %s does not exist" % file.path)
def OnMenuSelection(self, event):
title = self.menu_title_by_id[event.GetId()]
callback = self._get_callback(title)
#print("Calling callback %s on task %s" % (callback, self.task))
try:
callback(self.parent, self.task)
except:
awx.showErrorMessage(parent=self.parent)
def show_task_main_events(parent, task):
"""Show the events reported in the main output file."""
file = task.output_file
if file.exists:
AbinitEventsFrame(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Output file %s does not exist" % file.path)
def show_task_log_events(parent, task):
"""Show the events reported in the log file."""
file = task.log_file
if file.exists:
AbinitEventsFrame(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Log file %s does not exist" % file.path)
def OnMenuSelection(self, event):
title = self.menu_title_by_id[event.GetId()]
callback = self._get_callback(title)
#print("Calling callback %s on target %s" % (callback, self.target))
try:
callback(parent=self.parent, filepath=self.target)
except:
awx.showErrorMessage(parent=self.parent)
def show_task_log(parent, task):
file = task.log_file
if file.exists:
frame = viewerframe_from_filepath(parent, file.path)
frame.Show()
else:
awx.showErrorMessage(parent=parent, message="Output file %s does not exist" % file.path)
def show_task_log(parent, task):
"""Show the log file of the task."""
file = task.log_file
if file.exists:
frame_from_filepath(parent, file.path).Show()
else:
awx.showErrorMessage(parent=parent, message="Output file %s does not exist" % file.path)
def OnMenuSelection(self, event):
"""Call the callback selected in the popupmenu."""
title = self.menu_title_by_id[event.GetId()]
callback = self.MENU_TITLES[title]
try:
callback(parent=self.parent, *self.cb_args, **self.cb_kwargs)
except:
awx.showErrorMessage(parent=self)
def OnMenuSelection(self, event):
title = self.menu_title_by_id[event.GetId()]
callback = self._get_callback(title)
#print("Calling callback %s with cluster %s and flow %s" % (callback, self.cluster, self.flow))
try:
callback(self.parent, self.cluster, self.flow, self.flows_db)
except:
awx.showErrorMessage(parent=self.parent)
def OnPlotKSwithQPmarkers(self, event):
"""Plot KS energies with QPState markers."""
if self.sigres is None: return
band_range = (self.sigres.min_gwbstart, self.sigres.max_gwbstop)
try:
BandsWithMarkersPlotFrame(self, self.sigres.ebands, band_range=band_range).Show()
except awx.Error as exc:
awx.showErrorMessage(self)
def OnFermiSurface(self, event):
"""Visualize the Fermi surface with Xcrysden."""
try:
visu = self.ebands.export_bxsf(".bxsf")
thread = awx.WorkerThread(self, target=visu)
thread.start()
except Exception:
awx.showErrorMessage(self)
def OnPlotKSwithQPmarkers(self, event):
"""Plot KS energies with QPState markers."""
if self.active_sigres is None: return
sigres = self.active_sigres
band_range = (sigres.min_gwbstart, sigres.max_gwbstop)
try:
EbandsWithMarkersPlotFrame(self, sigres.ebands, band_range=band_range).Show()
except:
awx.showErrorMessage(self)
def onPlotPhbandsWithDos(self, event):
"""Plot phonon bands with DOS"""
try:
if not self.phdos:
awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
else:
self.phbands.plot_with_phdos(self.phdos)
except:
awx.showErrorMessage(self)
def OnClick(self, event):
p = self.jdos_panel.GetParams()
try:
self.bands.plot_ejdosvc(vrange=p.vrange,
crange=p.crange,
step=p.step,
width=p.width,
cumulative=p.cumulative)
except:
awx.showErrorMessage(self)
def read_file(self, filepath):
self.statusbar.PushStatusText("Reading %s" % filepath)
try:
flow = abilab.AbinitFlow.pickle_load(filepath)
self.AddFileToHistory(filepath)
return flow
except:
awx.showErrorMessage(self)
return None
def OnFermiSurface(self, event):
"""Visualize the Fermi surface with Xcrysden."""
try:
visu = self.ebands.export_bxsf(".bxsf")
thread = awx.WorkerThread(self, target=visu)
thread.start()
except Exception:
awx.showErrorMessage(self)
def read_file(self, filepath):
self.statusbar.PushStatusText("Reading %s" % filepath)
try:
flow = abilab.AbinitFlow.pickle_load(filepath)
self.AddFileToHistory(filepath)
return flow
except:
awx.showErrorMessage(self)
return None
def onPlotPhbandsWithDos(self, event):
"""Plot phonon bands with DOS"""
try:
if not self.phdos:
awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
else:
self.phbands.plot_with_phdos(self.phdos)
except:
awx.showErrorMessage(self)
def OnFitButton(self, event):
model = self.model_choice.GetStringSelection()
try:
eos = EOS(eos_name=model)
fit = eos.fit(self.volumes, self.energies, vol_unit=self.vol_unit, ene_unit=self.ene_unit)
print(fit)
fit.plot()
except:
awx.showErrorMessage(self)
def OnStructureVisualize(self, event):
""""Call the visualizer to visualize the crystalline structure."""
appname = self._id2visuname[event.GetId()]
try:
visu = self.structure.visualize(appname=appname)
thread = awx.WorkerThread(self, target=visu)
thread.start()
except Exception:
awx.showErrorMessage(self)
def OnVisualizeStructure(self, event):
""""Call visualizer to visualize the crystalline structure."""
if self.wfk is None: return
visualizer = self.GetVisualizer()
self.statusbar.PushStatusText("Visualizing crystal structure with %s" % visualizer)
try:
visu = self.wfk.visualize_structure_with(visualizer)
visu()
except:
awx.showErrorMessage(self)
def OnFitButton(self, event):
model = self.model_choice.GetStringSelection()
try:
eos = EOS(eos_name=model)
fit = eos.fit(self.volumes, self.energies, vol_unit=self.vol_unit, ene_unit=self.ene_unit)
print(fit)
fit.plot()
except:
awx.showErrorMessage(self)
def read_file(self, filepath):
"""Open netcdf file, create new tab and save the file in the history."""
self.statusbar.PushStatusText("Reading %s" % filepath)
try:
self.addFileTab(self, filepath)
# don't know why but this does not work!
self.notebook.Refresh()
self.notebook.SetSelection(self.notebook.GetPageCount())
self.AddFileToHistory(filepath)
except:
awx.showErrorMessage(self)
def OnStructureVisualize(self, event):
""""Call the visualizer to visualize the crystalline structure."""
appname = self._id2visuname[event.GetId()]
try:
visu = self.structure.visualize(appname=appname)
thread = awx.WorkerThread(self, target=visu)
thread.start()
except Exception:
awx.showErrorMessage(self)
def read_file(self, filepath):
"""Open netcdf file, create new tab and save the file in the history."""
self.statusbar.PushStatusText("Reading %s" % filepath)
try:
self.addFileTab(self, filepath)
# don't know why but this does not work!
self.notebook.Refresh()
self.notebook.SetSelection(self.notebook.GetPageCount())
self.AddFileToHistory(filepath)
except:
awx.showErrorMessage(self)
def OnPhbandsDos(self, event):
"""Open Frame for the computation of the DOS."""
if not self.phdos:
awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
else:
plotter = PhononDosPlotter()
try:
label = os.path.relpath(self.active_phdos_file.filepath)
plotter.add_phdos(label, self.phdos)
except:
awx.showErrorMessage(self)
plotter.plot()
def OnCompareButton(self, event):
selected_files = self.panel.GetSelectedFilepaths()
choice = self.plotter_cbox.GetValue()
try:
if choice == "ebands":
plotter = ElectronBandsPlotter()
for filepath in selected_files:
plotter.add_ebands_from_file(filepath)
plotter.plot()
elif choice == "edos":
# Open dialog to ask the user the DOS parameters.
dos_dialog = ElectronDosDialog(None)
if dos_dialog.ShowModal() == wx.ID_OK:
p = dos_dialog.GetParams()
plotter = ElectronDosPlotter()
for filepath in selected_files:
plotter.add_edos_from_file(filepath, **p)
plotter.plot()
dos_dialog.Destroy()
elif choice == "mdf":
plotter = MdfPlotter()
for filepath in selected_files:
plotter.add_mdf_from_file(filepath, mdf_type="exc")
plotter.plot()
elif choice == "sigres":
plotter = SigresPlotter()
plotter.add_files(selected_files)
plotter.plot_qpgaps()
#plotter.plot_qpenes()
else:
awx.showErrorMessage(
self,
message="No function registered for choice %s" % choice)
except Exception:
awx.showErrorMessage(self)
def OnComparePhdos(self, event):
"""Plot multiple phonon DOSes"""
plotter = PhononDosPlotter()
for path, phdos in zip(self.phdos_filepaths, self.phdos_list):
try:
label = os.path.relpath(path)
plotter.add_phdos(label, phdos)
except:
awx.showErrorMessage(self)
plotter.plot()
def _visualize_skb(self, spin, kpoint, band):
"""Calls the visualizer to visualize the specified wavefunction."""
# To make the Gui responsive one can use the approach described in
# http://wiki.wxpython.org/LongRunningTasks
#visualizer = self.GetVisualizer()
self.statusbar.PushStatusText("Visualizing wavefunction (spin=%d, kpoint=%s, band=%d)" % (spin, kpoint, band))
try:
visu = self.wfk.export_ur2(".xsf", spin, kpoint, band)
#visu = self.wfk.visualize_ur2_with(spin, kpoint, bands, visualizer)
visu()
except:
awx.showErrorMessage(self)
def OnPhbandsDos(self, event):
"""Open Frame for the computation of the DOS."""
if not self.phdos:
awx.showErrorMessage(self, message="PHDOS data should be loaded using the menu Phband->Add phdos data")
else:
plotter = PhononDosPlotter()
try:
label = os.path.relpath(self.active_phdos_file.filepath)
plotter.add_phdos(label, self.phdos)
except:
awx.showErrorMessage(self)
plotter.plot()
def OnComparePhdos(self, event):
"""Plot multiple phonon DOSes"""
plotter = PhononDosPlotter()
for path, phdos in zip(self.phdos_filepaths, self.phdos_list):
try:
label = os.path.relpath(path)
plotter.add_phdos(label, phdos)
except:
awx.showErrorMessage(self)
plotter.plot()
def wrapper(*args, **kwargs):
wait = wx.BusyInfo("Contacting host...")
try:
result = func(*args, **kwargs)
except Exception as exc:
result = exc
finally:
del wait
if isinstance(result, Exception):
awx.showErrorMessage(args[0], message=straceback(color=None))
else:
return result
def OnCompareButton(self, event):
selected_files = self.panel.GetSelectedFilepaths()
choice = self.plotter_cbox.GetValue()
try:
if choice == "ebands":
plotter = ElectronBandsPlotter()
for filepath in selected_files:
plotter.add_ebands_from_file(filepath)
plotter.plot()
elif choice == "edos":
# Open dialog to ask the user the DOS parameters.
dos_dialog = ElectronDosDialog(None)
if dos_dialog.ShowModal() == wx.ID_OK:
p = dos_dialog.GetParams()
plotter = ElectronDosPlotter()
for filepath in selected_files:
plotter.add_edos_from_file(filepath, **p)
plotter.plot()
dos_dialog.Destroy()
elif choice == "mdf":
plotter = MdfPlotter()
for filepath in selected_files:
plotter.add_mdf_from_file(filepath, mdf_type="exc")
plotter.plot()
elif choice == "sigres":
plotter = SigresPlotter()
plotter.add_files(selected_files)
plotter.plot_qpgaps()
#plotter.plot_qpenes()
else:
awx.showErrorMessage(self, message="No function registered for choice %s" % choice)
except Exception:
awx.showErrorMessage(self)
def _visualize_skb(self, spin, kpoint, band):
"""Calls the visualizer to visualize the specified wavefunction."""
# To make the Gui responsive one can use the approach described in
# http://wiki.wxpython.org/LongRunningTasks
appname = self.GetVisualizer()
if appname == "None": return
self.statusbar.PushStatusText("Visualizing wavefunction (spin=%d, kpoint=%s, band=%d)" % (spin, kpoint, band))
try:
visu = self.wfk.visualize_ur2(spin, kpoint, band, appname=appname)
thread = awx.WorkerThread(self, target=visu)
thread.start()
except:
awx.showErrorMessage(self)
def ReadWfkFile(self, filepath):
"""Read the WFK file and build the UI."""
self.statusbar.PushStatusText("Reading %s" % filepath)
try:
wfkfile = abiopen(filepath)
#if not isinstance(wfkfile, WFK_File):
# awx.showErrorMessage(self, message="%s is not a valid WFK File" % filepath)
# return
self.wfk = wfkfile
self.BuildUi()
self.statusbar.PushStatusText("WFK file %s loaded" % filepath)
except Exception:
awx.showErrorMessage(self)
def GetNamelist(self):
"""
Build and returns a string with whe &CONTROL Fortran NAMELIST.
"""
ecut_list = self.ecut_linspace.getValues()
if len(ecut_list) <= 1:
return awx.showErrorMessage(self, message="Ecut list is empty or contains only one item!")
step = ecut_list[1] - ecut_list[0]
d = OrderedDict(
tasks="'" + self.task_choice.GetStringSelection() + "'",
fftalgs=",".join(str(v) for v in self.fftalgs.GetValues()),
ncalls=self.ncalls_ctrl.GetValue(),
max_nthreads=self.max_nthreads_ctrl.GetValue(),
ndat=self.ndat_ctrl.GetValue(),
necut=len(ecut_list),
ecut_arth="%s, %s" % (ecut_list[0], step)
)
namelist = ["&CONTROL"]
for k, v in d.items():
namelist.append(k + " = " + str(v) + ",")
namelist.append("/")
return "\n".join(namelist)
def GetNamelist(self):
"""
Build and returns a string with whe &CONTROL Fortran NAMELIST.
"""
ecut_list = self.ecut_linspace.getValues()
if len(ecut_list) <= 1:
return awx.showErrorMessage(
self, message="Ecut list is empty or contains only one item!")
step = ecut_list[1] - ecut_list[0]
d = OrderedDict(
tasks="'" + self.task_choice.GetStringSelection() + "'",
fftalgs=",".join(str(v) for v in self.fftalgs.GetValues()),
ncalls=self.ncalls_ctrl.GetValue(),
max_nthreads=self.max_nthreads_ctrl.GetValue(),
ndat=self.ndat_ctrl.GetValue(),
necut=len(ecut_list),
ecut_arth="%s, %s" % (ecut_list[0], step))
namelist = ["&CONTROL"]
for k, v in d.items():
namelist.append(k + " = " + str(v) + ",")
namelist.append("/")
return "\n".join(namelist)
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 onPlotEbandsWithDos(self, event):
"""Plot electron bands with DOS. Requires the specification of two files."""
# Open dialog to get files and DOS parameters.
dialog = ewx.EbandsDosDialog(self, self.ebands_filepaths)
if dialog.ShowModal() == wx.ID_CANCEL: return
try:
dos_params = dialog.getEdosParams()
ipath, idos = dialog.getBandsDosIndex()
ebands_path = self.ebands_list[ipath]
ebands_mesh = self.ebands_list[idos]
edos = ebands_mesh.get_edos(**dos_params)
ebands_path.plot_with_edos(edos)
except:
awx.showErrorMessage(self)
def _visualize_skb(self, spin, kpoint, band):
"""Calls the visualizer to visualize the specified wavefunction."""
# To make the Gui responsive one can use the approach described in
# http://wiki.wxpython.org/LongRunningTasks
appname = self.GetVisualizer()
if appname == "None": return
self.statusbar.PushStatusText(
"Visualizing wavefunction (spin=%d, kpoint=%s, band=%d)" %
(spin, kpoint, band))
try:
visu = self.wfk.visualize_ur2(spin, kpoint, band, appname=appname)
thread = awx.WorkerThread(self, target=visu)
thread.start()
except:
awx.showErrorMessage(self)
def OnNetcdf_NcView(self, event):
"""Call ncview in an subprocess."""
if which("ncview") is None:
return awx.showErrorMessage(self, "Cannot find ncview in $PATH")
for path in self.nc_filepaths:
def target():
os.system("ncview %s" % path)
thread = awx.WorkerThread(self, target=target)
thread.start()
def yaml_manager_dialog(parent):
"""
Open a dialog that allows the user to select a YAML file with the taskmanager.
Returns the new manager or None if the user clicked CANCEL or the specifed file is not valid.
"""
dialog = wx.FileDialog(parent, message="Choose a taskmanager.yml file", defaultDir=os.getcwd(),
wildcard="YAML files (*.yml)|*.yml",
style=wx.OPEN | wx.MULTIPLE | wx.CHANGE_DIR)
# Show the dialog and retrieve the user response.
# If it is the OK response, process the data.
if dialog.ShowModal() == wx.ID_CANCEL: return None
filepath = dialog.GetPath()
dialog.Destroy()
try:
return abilab.TaskManager.from_file(filepath)
except:
awx.showErrorMessage(parent)
return None
def OnConvert(self, event):
try:
fvalue = float(self.from_textctrl.GetValue())
except:
awx.showErrorMessage(self)
return
from_unit = self.from_unit_choice.GetValue()
if from_unit == "foo":
from abipy.gui.awx.eggs import Puzzle
return Puzzle(self)
ufloat = units.FloatWithUnit(fvalue, from_unit)
to_unit = self.to_unit_choice.GetValue()
try:
conversion = ufloat.to(to_unit)
print(ufloat, conversion)
self.to_textctrl.SetValue(str(float(conversion)))
except:
awx.showErrorMessage(self)
def OnStartFitButton(self, event):
"""Callback that start the generation of the scissors."""
num_domains = int(self.numdomains_ctrl.GetValue())
build_dialog = ScissorsParamsDialog(self, self.nsppol, num_domains,
self.e0min, self.e0max)
if build_dialog.ShowModal() == wx.ID_OK:
# Get the parameters of the scissors.
p = build_dialog.GetScissorBuilderParams()
#logger.info("scissor params", p)
# Try the fit.
fitok = True
try:
self.scissors_builder.build(p.domains_spin, p.bounds_spin)
except:
awx.showErrorMessage(self)
fitok = False
# Plot the results and save the current contents in the file.
if fitok:
self.scissors_builder.plotfit()
if awx.askUser(self, "Save data?"):
saveFileDialog = wx.FileDialog(
self, "Save pickle file", "", "",
"Pickle files (*.pickle)|*.pickle",
wx.FD_SAVE | wx.FD_OVERWRITE_PROMPT)
if saveFileDialog.ShowModal() == wx.ID_OK:
savefile = saveFileDialog.GetPath()
#logger.info("About to save in %s" % savefile)
self.scissors_builder.save_data(savefile)
saveFileDialog.Destroy()
build_dialog.Destroy()