def __init__(self, mainwindow, cell):
tk.Toplevel.__init__(self, mainwindow)
self.main_frame = tkinter.ttk.Frame(self)
self.main_frame.grid(sticky='nsew')
self.mainwindow = mainwindow
self.project = self.mainwindow.projects[self.mainwindow.currentprojectid]
self.bfpp = cell.bfpp
self.cell = cell
self.title(self.cell.treetitle + ' Band Fit Window')
# -------------------------------------------------- VARIABLES -------------------------------------------------
self.label1 = tk.Label(self.main_frame, text='Band fit parameters', font='-weight bold')
self.band_frame = tkinter.ttk.LabelFrame(self.main_frame, labelwidget=self.label1)
self.band_frame.grid(row=2, column=0, pady=3, sticky='nsew')
self.hs_kpoints_var = tk.StringVar(value=','.join(self.bfpp.hs_kpoints_names))
# High Symmetry K-points
hs_kpoints_frame = tkinter.ttk.Frame(self.band_frame)
hs_kpoints_frame.grid(pady=3, sticky='nsew')
tkinter.ttk.Label(hs_kpoints_frame, text='High symmetry K-points (comma-separated)').grid(sticky='nsew')
tkinter.ttk.Entry(hs_kpoints_frame, textvariable=self.hs_kpoints_var, width=20).grid(sticky='nsew')
# Energy range
self.vbm_range = tu.RangeFrame(self.band_frame, self.bfpp.bands_fit['VBM'].xfitmin, self.bfpp.bands_fit['VBM'].xfitmax, 'VBM fit range', '', width=6)
self.vbm_range.grid(sticky='nsew')
self.cbm_range = tu.RangeFrame(self.band_frame, self.bfpp.bands_fit['CBM'].xfitmin, self.bfpp.bands_fit['CBM'].xfitmax, 'CBM fit range', '', width=6)
self.cbm_range.grid(sticky='nsew')
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.main_frame, 'High-symmetry K-points', 'Energy', self.bfpp)
self.display_param.frame.grid(row=3, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = tkinter.ttk.Frame(self.main_frame)
buttons_frame.grid(pady=3, sticky='nsew')
tkinter.ttk.Button(buttons_frame, text='Apply', command=self.save).grid(row=0, column=0, padx=5)
tkinter.ttk.Button(buttons_frame, text='OK', command=lambda: self.save(close=True)).grid(row=0, column=1, padx=5)
tkinter.ttk.Button(buttons_frame, text='Cancel', command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, project, opp):
tk.Toplevel.__init__(self, mainwindow)
self.mainwindow = mainwindow
self.project = project
self.cell = self.project.cells[self.mainwindow.currentitemid].optical_indices
self.opp = opp
self.resizable(False, False)
self.maxsize(width=self.winfo_screenwidth(), height=4*self.winfo_screenheight()//5)
self.main_frame = tkinter.ttk.Frame(self)
self.main_frame.grid(sticky='nsew')
self.contain_frame = tu.ScrollableTableFrame(self.main_frame, '', []).interior
self.title('Optical indices Plot Parameters Edition Window')
# --------------------------------------------------- OPP name -------------------------------------------------
self.label0 = tk.Label(self.contain_frame, text='Plot Parameters Name', pady=10)
self.nameframe = tk.Frame(self.contain_frame)
self.nameframe.grid(row=1, column=0)
namelist = [opp.name for opp in list(self.project.pp['opp'].values())]
self.oppname = tkinter.ttk.Combobox(self.nameframe, values=namelist, width=40)
self.oppname.set(self.opp.name)
self.oppname.bind("<<ComboboxSelected>>", self.opp_select)
self.label0.grid(row=0, column=0)
self.oppname.grid(row=1, column=0)
tk.ttk.Button(self.nameframe, text='Save as new parameters', command=self.opp_create).grid(row=1, column=1)
# Data ID
oplabel = tk.Label(self.contain_frame, text='Optical properties to plot', font=('', '16', 'bold'))
self.op_frame = tkinter.ttk.LabelFrame(self.contain_frame, labelwidget=oplabel)
data_frame = tkinter.ttk.Frame(self.op_frame)
data_frame.grid(row=3, column=0, pady=3, sticky='nsew')
self.data_id_var = tk.StringVar()
tkinter.ttk.Label(data_frame, text='Optical property: ').pack(side='left')
cb = tkinter.ttk.Combobox(data_frame, textvariable=self.data_id_var, values=self.cell.quantities, width=10,
state='readonly')
cb.pack(side='left')
cb.bind("<<ComboboxSelected>>", self.quantity_list_update)
cb.current(0)
self.op_frame.grid(row=4, column=0, pady=3, sticky='nsew')
self.quantities_pane = tkinter.ttk.Frame(self.contain_frame)
self.quantities_rows = {}
self.quantities_pane.grid(row=5, column=0, pady=3, sticky='nsew')
# -------------------------------------------- SPECIFIC PARAMS ------------------------------------------------
self.label0 = tk.Label(self.main_frame, text='Optical Indices Plot Specific Parameters', font='-weight bold')
self.opp_param_frame = tkinter.ttk.LabelFrame(self.contain_frame, labelwidget=self.label0)
self.opp_param_frame.grid(row=6, column=0, padx=3, pady=3, sticky='nsew')
self.trace_only_var = tk.BooleanVar(value=opp.trace_only)
tkinter.ttk.Checkbutton(self.opp_param_frame, text='Trace only', variable=self.trace_only_var).grid(row=0, padx=3, pady=3, sticky='nsew')
self.h_shift_var = tk.DoubleVar(value=opp.h_shift)
tkinter.ttk.Label(self.opp_param_frame, text='Scissor operator (horizontal shift) ').grid(row=1, column=0)
# tk.Spinbox(self.opp_param_frame, textvariable=self.title_fontsize_var, width=3, from_=0, to=100).grid(row=0, column=1)
tkinter.ttk.Entry(self.opp_param_frame, textvariable=self.h_shift_var, width=3).grid(row=1, column=1, sticky='we')
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.contain_frame, 'Energy', 'Optical indices', self.opp)
self.display_param.frame.grid(row=7, column=0, pady=3, sticky='nsew')
# Color
self.label2 = tk.Label(self.contain_frame, text='Colors', font='-weight bold')
self.colors_pane = tkinter.ttk.LabelFrame(self.contain_frame, labelwidget=self.label2)
self.color_rows = {}
self.colors_pane.grid(row=8, column=0, pady=3, sticky='nsew')
self.update_window()
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = tkinter.ttk.Frame(self.main_frame)
buttons_frame.grid()
tkinter.ttk.Button(buttons_frame, text='Apply', command=lambda: self.save(False)).grid(row=0, column=0, padx=5)
tkinter.ttk.Button(buttons_frame, text='OK', command=lambda: self.save(True)).grid(row=0, column=1, padx=5)
tkinter.ttk.Button(buttons_frame, text='Cancel', command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, cell, bpp):
tk.Toplevel.__init__(self, mainwindow)
self.main_frame = tkinter.ttk.Frame(self)
self.main_frame.pack(expand=True, fill='both')
self.mainwindow = mainwindow
self.project = self.mainwindow.projects[self.mainwindow.currentprojectid]
self.bpp = bpp
self.cell = cell
self.title(self.cell.treetitle + ' Band Plot Parameters Edition Window')
# --------------------------------------------------- BPP name -------------------------------------------------
self.label0 = tk.Label(self.main_frame, text='Plot Parameters Name', pady=10)
self.nameframe = tk.Frame(self.main_frame)
self.nameframe.grid(row=1, column=0)
namelist = [bpp.name for bpp in list(self.project.pp['bpp'].values())]
self.bppname = tkinter.ttk.Combobox(self.nameframe, values=namelist, width=40)
self.bppname.set(self.bpp.name)
self.bppname.bind("<<ComboboxSelected>>", self.bpp_select)
self.label0.grid(row=0, column=0)
self.bppname.grid(row=1, column=0)
tk.ttk.Button(self.nameframe, text='Save as new parameters', command=self.bpp_create).grid(row=1, column=1)
# -------------------------------------------------- VARIABLES -------------------------------------------------
self.label1 = tk.Label(self.main_frame, text='Band plot parameters', font='-weight bold')
self.band_frame = tkinter.ttk.LabelFrame(self.main_frame, labelwidget=self.label1)
self.band_frame.grid(row=2, column=0, pady=3, sticky='nsew')
self.vbm_shift_var = tk.BooleanVar(value=bpp.vbm_shift)
self.highlight_vbm_cbm_var = tk.BooleanVar(value=bpp.highlight_vbm_cbm)
self.hs_kpoints_var = tk.StringVar(value=','.join(bpp.hs_kpoints_names))
self.discontinuities_var = tk.BooleanVar(value=bpp.discontinuities)
self.nkpts_per_seg_var = tk.IntVar(value=bpp.nkpts_per_seg)
# self.disc_hshift_var = tk.DoubleVar(value=bpp.disc_hshift)
self.highlight_zero_line_var = tk.BooleanVar(value=bpp.highlight_zero_line)
self.nkpts_hybrid_bands_var = tk.IntVar(value=bpp.nkpts_hybrid_bands)
# VBM as zero of energy
tkinter.ttk.Checkbutton(self.band_frame, text='VBM as zero of energy', variable=self.vbm_shift_var,
onvalue=True, offvalue=False, command=self.update_energy_range).grid(pady=3, sticky='nsew')
# VBM & CBM highlight
tkinter.ttk.Checkbutton(self.band_frame, text='Highlight VBM & CBM', variable=self.highlight_vbm_cbm_var,
onvalue=True, offvalue=False).grid(pady=3, sticky='nsew')
# Highlight zero line
tkinter.ttk.Checkbutton(self.band_frame, text='Highlight zero-line', variable=self.highlight_zero_line_var,
onvalue=True, offvalue=False).grid(pady=3, sticky='nsew')
# High Symmetry K-points
hs_kpoints_frame = tkinter.ttk.Frame(self.band_frame)
hs_kpoints_frame.grid(pady=3, sticky='nsew')
tkinter.ttk.Label(hs_kpoints_frame, text='High symmetry K-points (comma-separated)').pack(side='left')
tkinter.ttk.Entry(hs_kpoints_frame, textvariable=self.hs_kpoints_var, width=20).pack(side='left')
# Discontinuities
tkinter.ttk.Checkbutton(self.band_frame, text='Discontinuities in the K-pts path', variable=self.discontinuities_var,
onvalue=True, offvalue=False).grid(pady=3, sticky='nsew')
nkpts_per_seg_frame = tkinter.ttk.Frame(self.band_frame)
nkpts_per_seg_frame.grid(pady=3, sticky='nsew')
tkinter.ttk.Label(nkpts_per_seg_frame, text='Number of K-pts per segment').pack(side='left')
tkinter.ttk.Entry(nkpts_per_seg_frame, textvariable=self.nkpts_per_seg_var, width=3).pack(side='left')
nkpts_hybrid_bands_frame = tkinter.ttk.Frame(self.band_frame)
nkpts_hybrid_bands_frame.grid(pady=3, sticky='nsew')
if self.cell.functional in ['PBE0', 'HSE', 'Hybrid']:
tkinter.ttk.Label(nkpts_hybrid_bands_frame, text='Number of K-pts used for \nBand Structure Calculation (Hybrid functionals only)').pack(side='left')
tkinter.ttk.Entry(nkpts_hybrid_bands_frame, textvariable=self.nkpts_hybrid_bands_var, width=3).pack(side='left')
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.main_frame, 'High-symmetry K-points', 'Energy', self.bpp)
self.display_param.frame.grid(row=3, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = tkinter.ttk.Frame(self.main_frame)
buttons_frame.grid(pady=3, sticky='nsew')
tkinter.ttk.Button(buttons_frame, text='Apply', command=self.save).grid(row=0, column=0, padx=5)
tkinter.ttk.Button(buttons_frame, text='OK', command=lambda: self.save(close=True)).grid(row=0, column=1, padx=5)
tkinter.ttk.Button(buttons_frame, text='Cancel', command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, cell, dpp):
tk.Toplevel.__init__(self, mainwindow)
self.resizable(False, False)
self.maxsize(width=self.winfo_screenwidth(), height=4*self.winfo_screenheight()//5)
self.minsize(height=4*self.winfo_screenheight()//5)
self.cell = cell
self.dpp = dpp
self.mainwindow = mainwindow
self.project = self.mainwindow.projects[self.mainwindow.currentprojectid]
self.main_frame = tkinter.ttk.Frame(self)
self.main_frame.grid(sticky='nsew')
self.contain_frame = tu.ScrollableTableFrame(self.main_frame, '', []).interior
cb_kwargs = {'onvalue': True, 'offvalue': False}
self.title(self.cell.treetitle + ' DoS Plot Parameters Edition Window')
# --------------------------------------------------- DPP name -------------------------------------------------
self.label1 = tk.Label(self.contain_frame, text='Plot Parameters Name', pady=10)
self.nameframe = tk.Frame(self.contain_frame)
self.nameframe.grid(row=1, column=0)
namelist = [dpp.name for dpp in list(self.project.pp['dpp'].values())]
self.dppname = tkinter.ttk.Combobox(self.nameframe, values=namelist, width=40) #, validate='focusout', validatecommand=self.dpp_select_create)
self.dppname.set(self.dpp.name)
self.dppname.bind("<<ComboboxSelected>>", self.dpp_select)
self.label1.grid(row=0, column=0)
self.dppname.grid(row=1, column=0)
tk.ttk.Button(self.nameframe, text='Save as new parameters', command=self.dpp_create).grid(row=1, column=1)
# --------------------------------------------------- DoS type -------------------------------------------------
self.spin_var = tk.BooleanVar(value=dpp.display_spin)
# Frame label
self.dostype_frame_label_frame = tkinter.ttk.Frame(self)
tkinter.ttk.Label(self.dostype_frame_label_frame, text='DoS displayed', font='-weight bold').pack(side='left')
# if self.cell.ispin == 2:
# ttk.Checkbutton(self.dostype_frame_label_frame, text='Spin projection', variable=self.spin_var, **cb_kwargs).pack()
# Frame
self.dostype_frame = tkinter.ttk.LabelFrame(self.contain_frame, labelwidget=self.dostype_frame_label_frame)
self.dostype_frame.grid(row=2, column=0, sticky='nswe', padx=5)
self.dostype_frame.grid_columnconfigure(0, weight=1)
# Variables
self.opas_items_choice = dpp.choice_opas # Initial choice for the OPAS items choice
self.opa_items_choice = dpp.choice_opa # Initial choice for the OPA items choice
self.proj_colors_choice = dpp.colors_proj # Projected DoS colors choice
self.tot_colors_choice = dpp.colors_tot # Total projected DoS colors choice
# -------------------------------------------------- TOTAL DoS -------------------------------------------------
self.totdos_var = tk.BooleanVar(value=dpp.display_total_dos)
tkinter.ttk.Checkbutton(self.dostype_frame, text='Total DoS', variable=self.totdos_var, **cb_kwargs).grid(row=2, column=0)
# ------------------------------------------------ PROJECTED DoS -----------------------------------------------
self.projdos_var = tk.BooleanVar()
# Labelframe and checkbutton
self.projdos_cb = tkinter.ttk.Checkbutton(self, text='Projected DoS', variable=self.projdos_var, command=self.enable_proj_dos, **cb_kwargs)
self.projdos_frame = tkinter.ttk.LabelFrame(self.dostype_frame, labelwidget=self.projdos_cb, labelanchor='n')
self.projdos_frame.grid(row=1, column=0, sticky='nswe', padx=5)
self.projdos_frame.grid_columnconfigure(0, weight=1)
self.projdos_frame.grid_columnconfigure(1, weight=1)
# DoS type
self.dostype_var = tk.StringVar(value=dpp.dos_type)
tkinter.ttk.Label(self.projdos_frame, text='DoS for each').grid(row=0, column=0, sticky='w')
tkinter.ttk.Radiobutton(self.projdos_frame, text='Atomic species', variable=self.dostype_var, value='OPAS').grid(row=1, column=0)
tkinter.ttk.Radiobutton(self.projdos_frame, text='Atom', variable=self.dostype_var, value='OPA').grid(row=1, column=1)
# Projection choice
self.totprojdos_var = tk.BooleanVar(value=dpp.tot_proj_dos)
tkinter.ttk.Label(self.projdos_frame, text='Projection').grid(row=2, column=0, sticky='w')
tkinter.ttk.Radiobutton(self.projdos_frame, text='Orbitals projection', variable=self.totprojdos_var, value=False).grid(row=3, column=0)
tkinter.ttk.Radiobutton(self.projdos_frame, text='Total DoS', variable=self.totprojdos_var, value=True).grid(row=3, column=1)
# Areas or lines
self.plotareas_var = tk.BooleanVar(value=dpp.plot_areas)
tkinter.ttk.Label(self.projdos_frame, text='Projected DoS style').grid(row=4, column=0, sticky='w')
tkinter.ttk.Radiobutton(self.projdos_frame, text='Filled areas', variable=self.plotareas_var, value=True).grid(row=5, column=0)
tkinter.ttk.Radiobutton(self.projdos_frame, text='Lines', variable=self.plotareas_var, value=False).grid(row=5, column=1)
tkinter.ttk.Label(self.projdos_frame, text=' ').grid(row=6, column=0) # white space
tkinter.ttk.Button(self.projdos_frame, text='Data plotted', command=self.open_atoms_choice_window).grid(row=7, column=0)
tkinter.ttk.Button(self.projdos_frame, text='Colours', command=self.open_colour_choice_window).grid(row=7, column=1)
if self.cell.lorbit == 11:
self.projdos_var.set(dpp.display_proj_dos)
else:
self.projdos_var.set(False)
self.projdos_cb.configure(state='disabled')
tu.disable_frame(self.projdos_frame)
# ------------------------------------------------ PLOT DISPLAY ------------------------------------------------
self.display_frame_label = tkinter.ttk.Label(self, text='Options on data displayed', font="-weight bold")
self.display_frame = tkinter.ttk.LabelFrame(self.contain_frame, labelwidget=self.display_frame_label)
self.display_frame.grid(row=3, column=0, sticky='nswe', padx=5)
# Fermi level
self.efdisplay_var = tk.BooleanVar(value=dpp.display_Fermi_level)
tkinter.ttk.Checkbutton(self.display_frame, text='Fermi level', variable=self.efdisplay_var, **cb_kwargs).grid(row=0, column=0, sticky='w')
# Band extrema
self.bedisplay_var = tk.BooleanVar(value=dpp.display_BM_levels)
tkinter.ttk.Checkbutton(self.display_frame, text='Band extrema levels', variable=self.bedisplay_var, **cb_kwargs).grid(row=1, column=1, sticky='w')
self.fermishift_var = tk.BooleanVar(value=dpp.fermi_shift)
tkinter.ttk.Checkbutton(self.display_frame, text='Fermi level as zero of energy', variable=self.fermishift_var,
command=self.update_energy_range, **cb_kwargs).grid(row=0, column=1, sticky='w')
self.normalize_var = tk.BooleanVar(value=dpp.normalize)
tkinter.ttk.Checkbutton(self.display_frame, text='Normalize plots', variable=self.normalize_var,
command=self.update_normalize, **cb_kwargs).grid(row=1, column=0, sticky='w')
self.display_spin_var = tk.BooleanVar(value=dpp.display_spin)
tkinter.ttk.Checkbutton(self.display_frame, text='Display spin projections', variable=self.display_spin_var, **cb_kwargs).grid(row=2, column=0, sticky='w')
self.smooth_var = tk.BooleanVar(value=dpp.smooth)
tkinter.ttk.Checkbutton(self.display_frame, text='Smooth DoS', variable=self.smooth_var, **cb_kwargs).grid(row=3, column=0, sticky='w')
self.n_smooth_var = tk.IntVar(value=dpp.n_smooth)
group_frame = tkinter.ttk.Frame(self.display_frame)
tkinter.ttk.Label(group_frame, text='Moving average order').grid(row=0, column=0, sticky='nsew')
tk.Spinbox(group_frame, textvariable=self.n_smooth_var, width=3, from_=2, to=dpp.nedos/2).grid(row=0, column=1, sticky='nsew')
group_frame.grid(row=3, column=1, sticky='w')
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.contain_frame, 'E', 'DoS', self.dpp)
self.display_param.frame.grid(row=4, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = tkinter.ttk.Frame(self.main_frame)
buttons_frame.grid(row=1, column=0, pady=3, sticky='nsew')
tkinter.ttk.Button(buttons_frame, text='Apply', command=self.save).grid(row=0, column=0, padx=5)
tkinter.ttk.Button(buttons_frame, text='OK', command=lambda: self.save(close=True)).grid(row=0, column=1, padx=5)
tkinter.ttk.Button(buttons_frame, text='Cancel', command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, material_study):
tk.Toplevel.__init__(self, mainwindow)
self.mainwindow = mainwindow
self.material_study = material_study
self.eftpp = material_study.eftpp
self.main_frame = ttk.Frame(self)
self.main_frame.grid(sticky='nsew')
self.main_frame.grid_columnconfigure(0, weight=1)
self.title(material_study.treetitle +
' Fermi Level Variations Plot Parameters Window')
# --------------------------------------------- EFFECTIVE MASSE --------------------------------------------------
label0 = tk.Label(self.main_frame,
text='Charge Carriers Effective Masses',
font='-weight bold')
masses_frame = ttk.LabelFrame(self.main_frame, labelwidget=label0)
masses_frame.grid(sticky='nsew')
self.m_e_entry = tu.QuantityEntry(masses_frame,
'Electrons effective mass',
self.eftpp.m_e,
' me',
width=5)
self.m_e_entry.pack(padx=5, pady=5)
self.m_h_entry = tu.QuantityEntry(masses_frame,
'Holes effective mass',
self.eftpp.m_h,
' me',
width=5)
self.m_h_entry.pack(padx=5, pady=5)
# --------------------------------------------- TEMPERATURES --------------------------------------------------
label1 = tk.Label(self.main_frame,
text='Temperatures',
font='-weight bold')
temperature_frame = ttk.LabelFrame(self.main_frame, labelwidget=label1)
temperature_frame.grid()
tk.Label(temperature_frame,
text='Growth Temperature (fixed) ').grid(row=0, column=0)
self.cte_temp = tu.QuantityEntry(temperature_frame,
'',
self.eftpp.temperature,
'K',
width=7)
self.cte_temp.grid(row=0, column=1)
self.temp_range = tu.RangeFrame(temperature_frame,
self.eftpp.xmin,
self.eftpp.xmax,
'Ambiant Temperature',
'K',
step=self.eftpp.dt,
width=7)
self.temp_range.grid(row=1, column=0, columnspan=2, pady=5, padx=5)
# Display parameters
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(
self.main_frame, 'Ambiant Temperature',
'Charge Carriers Concentrations', self.eftpp)
self.display_param.frame.grid(row=2, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = ttk.Frame(self.main_frame)
buttons_frame.grid(row=5, column=0, pady=3, sticky='nsew')
ttk.Button(buttons_frame, text='Apply',
command=self.save).grid(row=0, column=0, padx=5)
ttk.Button(buttons_frame,
text='OK',
command=lambda: self.save(close=True)).grid(row=0,
column=1,
padx=5)
ttk.Button(buttons_frame, text='Cancel',
command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, material_study):
tk.Toplevel.__init__(self, mainwindow)
self.mainwindow = mainwindow
self.material_study = material_study
self.cpp = material_study.cpp
self.main_frame = ttk.Frame(self)
self.main_frame.grid(sticky='nsew')
self.main_frame.grid_columnconfigure(0, weight=1)
self.title(material_study.treetitle +
' Defect Concentrations Plot Parameters Window')
# --------------------------------------------- EFFECTIVE MASSE --------------------------------------------------
label0 = tk.Label(self.main_frame,
text='Charge Carriers Effective Masses',
font='-weight bold')
masses_frame = ttk.LabelFrame(self.main_frame, labelwidget=label0)
masses_frame.grid(sticky='nsew')
self.m_e_entry = tu.QuantityEntry(masses_frame,
'Electrons effective mass',
self.cpp.m_e,
' me',
width=5)
self.m_e_entry.pack(padx=5, pady=5)
self.m_h_entry = tu.QuantityEntry(masses_frame,
'Holes effective mass',
self.cpp.m_h,
' me',
width=5)
self.m_h_entry.pack(padx=5, pady=5)
# --------------------------------------------- TEMPERATURES --------------------------------------------------
label1 = tk.Label(self.main_frame,
text='Temperatures',
font='-weight bold')
temperature_frame = ttk.LabelFrame(self.main_frame, labelwidget=label1)
temperature_frame.grid()
tk.Label(temperature_frame,
text='Ambiant Temperature (fixed) ').grid(row=0, column=0)
self.cte_temp = tu.QuantityEntry(temperature_frame,
'',
self.cpp.temperature,
'K',
width=7)
self.cte_temp.grid(row=0, column=1)
self.temp_range = tu.RangeFrame(temperature_frame,
self.cpp.xmin,
self.cpp.xmax,
'Growth Temperature',
'K',
step=self.cpp.dt,
width=7)
self.temp_range.grid(row=1, column=0, columnspan=2, pady=5, padx=5)
# --------------------------------------------- SPECIFIC OPTIONS --------------------------------------------------
self.charge_carriers_var = tk.BooleanVar(
value=self.cpp.charge_carriers)
self.fill_type_var = tk.IntVar(value=self.cpp.fill_type)
label11 = tk.Label(self.main_frame,
text='Specific options',
font='-weight bold')
options_frame = ttk.LabelFrame(self.main_frame, labelwidget=label11)
options_frame.grid(sticky='nsew')
# Display charge carriers
ttk.Checkbutton(
options_frame,
text='Display charge carriers concentrations ',
variable=self.charge_carriers_var,
command=self.set_display_charge_carriers).pack(side='left')
# Fill conductivity type
ttk.Checkbutton(options_frame,
text='Fill conductivity type ',
variable=self.fill_type_var,
command=self.set_fill_type).pack(side='left')
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(
self.main_frame, 'Growth Temperature', 'Defect Concentrations',
self.cpp)
self.display_param.frame.grid(row=3, column=0, pady=3, sticky='nsew')
# ---------------------------------------------- COLORS ------------------------------------------------
self.label2 = tk.Label(self.main_frame,
text='Colors',
font='-weight bold')
self.colors_pane = ttk.LabelFrame(self.main_frame,
labelwidget=self.label2)
self.colors = {}
self.labels = {}
self.index = 0
def title(key):
if key in ['n (electrons)', 'n (holes)', 'n type', 'p type']:
return key
else:
return self.material_study.defect_studies[key].treetitle
sort_list = [[key, title(key)] for key in self.cpp.colors.keys()]
sort_list.sort(key=lambda x: x[1])
for key, treetitle in sort_list:
if key in self.cpp.data_id or (key in ['n type', 'p type']
and self.cpp.fill_type):
self.colors[key] = tk.Button(
self.colors_pane,
text='\t\t',
bg=self.cpp.colors[key],
command=lambda port=key: self.set_color(port))
self.colors[key].grid(row=self.index, column=0, sticky='w')
self.labels[key] = tk.Label(self.colors_pane, text=treetitle)
self.labels[key].grid(row=self.index, column=1, sticky='w')
self.index += 1
self.colors_pane.grid(row=4, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = ttk.Frame(self.main_frame)
buttons_frame.grid(row=5, column=0, pady=3, sticky='nsew')
ttk.Button(buttons_frame, text='Apply',
command=self.save).grid(row=0, column=0, padx=5)
ttk.Button(buttons_frame,
text='OK',
command=lambda: self.save(close=True)).grid(row=0,
column=1,
padx=5)
ttk.Button(buttons_frame, text='Cancel',
command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, defect_study):
tk.Toplevel.__init__(self, mainwindow)
self.resizable(False, False)
self.mainwindow = mainwindow
self.project = self.mainwindow.projects[
self.mainwindow.currentprojectid]
self.fpp = defect_study.fpp
self.main_frame = ttk.Frame(self)
self.main_frame.pack(expand=True, fill='both')
self.main_frame.grid_columnconfigure(0, weight=1)
self.title(defect_study.treetitle +
' Formation Energy Plot Parameters Edition Window')
# ---------------------------------------------- FPP PARAMS ------------------------------------------------
self.label0 = tk.Label(
self.main_frame,
text='Formation Energy Plot Specific Parameters',
font='-weight bold')
self.fpp_param_frame = ttk.LabelFrame(self.main_frame,
labelwidget=self.label0)
self.fpp_param_frame.grid(sticky='nsew')
self.display_transition_levels_var = tk.BooleanVar(
value=self.fpp.display_transition_levels)
ttk.Checkbutton(self.fpp_param_frame,
text='Display Transition Levels',
variable=self.display_transition_levels_var,
onvalue=True,
offvalue=False).grid(row=0, column=1, sticky=W)
self.display_charges_var = tk.BooleanVar(
value=self.fpp.display_charges)
ttk.Checkbutton(self.fpp_param_frame,
text='Display Charges',
variable=self.display_charges_var,
onvalue=True,
offvalue=False).grid(row=1, column=1, sticky=W)
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.main_frame,
'Position in the gap',
'Formation energy',
self.fpp)
self.display_param.frame.grid(row=2, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = ttk.Frame(self.main_frame)
buttons_frame.grid(row=3, column=0, pady=3, sticky='nsew')
ttk.Button(buttons_frame, text='Apply',
command=self.save).grid(row=0, column=0, padx=5)
ttk.Button(buttons_frame,
text='OK',
command=lambda: self.save(close=True)).grid(row=0,
column=1,
padx=5)
ttk.Button(buttons_frame, text='Cancel',
command=self.destroy).grid(row=0, column=2, padx=5)
def __init__(self, mainwindow, material_study):
tk.Toplevel.__init__(self, mainwindow)
self.resizable(False, False)
self.mainwindow = mainwindow
self.project = self.mainwindow.projects[
self.mainwindow.currentprojectid]
self.fpp = material_study.lastfpp
self.main_frame = ttk.Frame(self)
self.main_frame.pack(expand=True, fill='both')
self.main_frame.grid_columnconfigure(0, weight=1)
self.title(material_study.treetitle +
' Defect Formation Energies Plot Parameters Edition Window')
# --------------------------------------------------- FPP name -------------------------------------------------
self.label0 = tk.Label(self.main_frame,
text='Plot Parameters Name',
pady=10)
self.nameframe = tk.Frame(self.main_frame)
self.nameframe.grid(row=1, column=0)
namelist = [fpp.name for fpp in self.project.pp['fpp'].values()]
self.fppname = ttk.Combobox(self.nameframe, values=namelist, width=40)
self.fppname.set(self.fpp.name)
self.fppname.bind("<<ComboboxSelected>>", self.fpp_select)
self.label0.grid(row=0, column=0)
self.fppname.grid(row=1, column=0)
tk.Button(self.nameframe,
text='Save as new parameters',
command=self.fpp_create).grid(row=1, column=1)
# ---------------------------------------------- FPP PARAMS ------------------------------------------------
self.label0 = tk.Label(
self.main_frame,
text='Formation Energy Plot Specific Parameters',
font='-weight bold')
self.fpp_param_frame = ttk.LabelFrame(self.main_frame,
labelwidget=self.label0)
self.fpp_param_frame.grid(sticky='nsew')
self.display_charges_var = tk.BooleanVar(
value=self.fpp.display_charges)
ttk.Checkbutton(self.fpp_param_frame,
text='Display Charges',
variable=self.display_charges_var,
onvalue=True,
offvalue=False).grid(row=0, column=1, sticky=W)
self.highlight_charge_change_var = tk.BooleanVar(
value=self.fpp.highlight_charge_change)
ttk.Checkbutton(self.fpp_param_frame,
text='Highlight Charge Transition Levels',
variable=self.highlight_charge_change_var,
onvalue=True,
offvalue=False).grid(row=1, column=1, sticky=W)
self.display_gaps_legend_var = tk.BooleanVar(
value=self.fpp.display_gaps_legend)
ttk.Checkbutton(self.fpp_param_frame,
text='Display Gap Legend',
variable=self.display_gaps_legend_var,
onvalue=True,
offvalue=False).grid(row=2, column=1, sticky=W)
# ---------------------------------------------- DISPLAY PARAMS ------------------------------------------------
self.display_param = tu.DisplayParametersFrame(self.main_frame,
'Position in the gap',
'Formation energy',
self.fpp)
self.display_param.frame.grid(row=3, column=0, pady=3, sticky='nsew')
# ---------------------------------------------- COLORS ------------------------------------------------
self.label2 = tk.Label(self.main_frame,
text='Colors',
font='-weight bold')
self.colors_pane = ttk.LabelFrame(self.main_frame,
labelwidget=self.label2)
self.colors = {}
index = 0
for def_stud in material_study.ds_list:
self.colors[def_stud.ID] = tk.Button(
self.colors_pane,
text='\t\t',
bg=self.fpp.colors[def_stud.ID],
command=lambda port=def_stud.ID: self.set_color(port))
self.colors[def_stud.ID].grid(row=index, column=0, sticky='w')
tk.Label(self.colors_pane,
text=def_stud.treetitle).grid(row=index,
column=1,
sticky='w')
index += 1
self.colors_pane.grid(row=4, column=0, pady=3, sticky='nsew')
# --------------------------------------------------- BUTTONS --------------------------------------------------
buttons_frame = ttk.Frame(self.main_frame)
buttons_frame.grid(row=5, column=0, pady=3, sticky='nsew')
ttk.Button(buttons_frame, text='Apply',
command=self.save).grid(row=0, column=0, padx=5)
ttk.Button(buttons_frame,
text='OK',
command=lambda: self.save(close=True)).grid(row=0,
column=1,
padx=5)
ttk.Button(buttons_frame, text='Cancel',
command=self.destroy).grid(row=0, column=2, padx=5)