def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='W')
self.filename = tk.StringVar()
self.filename.set('Filename undefined')
typestring = 'DISCUS / CIF / RMCprofile CMAKER files'
typeext = '*.cell *.stru *.cif *.cssr *.txt *.CELL *.STRU *.CIF *.cssr *.TXT'
self.caption = ttk.Label(self, text='Read an old structure from file')
self.fileb = ttk.Button(
self,
text='Open',
command=lambda: file_open(self, typestring, typeext))
self.label_fle = ttk.Label(self,
textvariable=self.filename,
foreground=COLORS.ok_active,
relief=tk.RAISED)
self.acc = ttk.Button(self,
text='Run',
command=lambda: self.display_file(parent))
# create_exit_button(self,'discus',6,3,create_exit_button.donothing,(0,0))
create_exit_button(self, 'discus', 6, 3, exit_command, (parent, 0))
self.caption.grid(row=0, column=0, columnspan=5, pady=(10, 10))
self.fileb.grid(row=1, column=0)
self.label_fle.grid(row=2, column=0, columnspan=3)
self.acc.grid(row=5, column=3)
self.acc.configure(state='disabled')
line = 'read'
suite.suite_learn(line)
def __init__(self, parent, sub_menu, pos_row, pos_col):
tk.Frame.__init__ ( self, parent )
self.config(borderwidth=4, relief=tk.RAISED, background=COLORS.fr_sub)
self.grid(row=pos_row,column=pos_col,columnspan=8,sticky='W')
#
self.caption = ttk.Label(self, text='Atom type selection')
self.all = ttk.Checkbutton(self, text='Select all types',
variable = parent.var_sel_all)
self.all.bind('<ButtonRelease-1>',
lambda eff: self.press_all(eff, parent)
)
create_exit_button(self, 'discus', 1, 2, exit_subframe,(parent,0))
#
atom_list = []
for i in range(parent.nscat+1):
line = 'Type no. ' + str(i) + ' = ' + parent.at_list[i]
cb = ttk.Checkbutton(self, text=line, variable=parent.atom_check[i])
cb.bind('<ButtonRelease-1>',
lambda eff: self.press_one(eff, parent)
)
atom_list.append(cb)
cb.grid(row=2+i, column=0, sticky='EW')
self.caption.grid(row=0,column=0, columnspan=5, pady=(10,10))
self.all.grid(row=1,column=0, pady=(0,10), sticky='W')
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=3, column=0, columnspan=6, sticky='EW')
self.filename = tk.StringVar()
self.caption = ttk.Label(self, text="Load a data set")
self.fileb = ttk.Button(
self,
text="File",
command=lambda: self.filename.set(filedialog.askopenfilename()))
self.isfiletype = tk.StringVar()
self.l_type = ttk.Label(self, text="Filetype: ", relief=tk.RAISED)
self.ftype = ttk.Combobox(self,
textvariable=self.isfiletype,
state='readonly')
self.ftype['values'] = ('xy', 'ni')
self.ftype.current(0)
self.label_fle = ttk.Label(self,
textvariable=self.filename,
relief=tk.RAISED)
self.acc = ttk.Button(self, text="Run", command=self.load_file)
create_exit_button(self, 'kuplot', 3, 3, create_exit_button.donothing,
(0, 0))
self.caption.grid(row=0, column=0, columnspan=5)
self.fileb.grid(row=1, column=0)
self.label_fle.grid(row=1, column=1, columnspan=3)
self.l_type.grid(row=2, column=0)
self.ftype.grid(row=2, column=1)
self.acc.grid(row=3, column=2)
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='W')
#
self.filename = tk.StringVar()
self.filename.set('Filename undefined')
self.typestring = 'CIF files'
self.typeext = '*.cif *.CIF'
#
self.caption = ttk.Label(self, text='Import an external file format')
#
self.fileb = ttk.Button(
self,
text='Open',
command=lambda: file_open(self, self.typestring, self.typeext))
self.label_fle = ttk.Label(self,
textvariable=self.filename,
foreground=COLORS.ok_active,
relief=tk.RAISED)
#
self.yScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.lst_external = tk.Listbox(self,
height=2,
width=5,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,
selectmode=tk.SINGLE,
yscrollcommand=self.yScroll.set)
self.yScroll['command'] = self.lst_external.yview
self.lst_external.configure(exportselection=False)
self.lst_external.insert(0, 'CIF')
self.lst_external.insert(1, 'SHELX')
self.lst_external.insert(2, 'RMCprofile')
self.lst_external.insert(3, 'CMAKER')
self.lst_external.selection_set(0)
self.lst_external.yview_scroll(0, tk.UNITS)
#
self.lst_external.bind('<ButtonRelease-1>',
lambda eff: self.convert_external(eff, self))
#
self.acc = ttk.Button(self,
text='Run',
command=lambda: self.do_import())
create_exit_button(self, 'discus', 6, 7, exit_command, (parent, 0))
#
# Grid everything
self.caption.grid(row=0, column=0, columnspan=5, pady=(10, 10))
self.lst_external.grid(row=2, column=0, rowspan=2, sticky='EW')
self.yScroll.grid(row=1, column=2, rowspan=2, sticky='W')
self.fileb.grid(row=4, column=0)
self.label_fle.grid(row=5, column=0, columnspan=3)
self.acc.grid(row=5, column=7)
#
self.acc.configure(state='disabled')
def __init__(self, parent, sub_menu, pos_row, pos_col):
tk.Frame.__init__ ( self, parent )
self.config(borderwidth=4, relief=tk.RAISED, background=COLORS.fr_sub)
self.grid(row=pos_row,column=pos_col,columnspan=8,sticky='W')
#
self.caption=ttk.Label(self, text='Keyword selection')
self.label_all = ttk.Label(self, text='All values')
self.check_all = ttk.Checkbutton(self, text='Write', variable=parent.wr_all)
self.label_scat = ttk.Label(self, text='scat/ADP')
self.check_scat = ttk.Checkbutton(self, text='Write', variable=parent.wr_scat)
self.label_ncell= ttk.Label(self, text='ncell')
self.check_ncell= ttk.Checkbutton(self, text='Write', variable=parent.wr_ncell)
self.label_molec= ttk.Label(self, text='Molecules')
self.check_molec= ttk.Checkbutton(self, text='Write', variable=parent.wr_molec)
self.label_domain=ttk.Label(self, text='Domains')
self.check_domain=ttk.Checkbutton(self, text='Write', variable=parent.wr_domain)
self.label_object= ttk.Label(self, text='Objects')
self.check_object= ttk.Checkbutton(self, text='Write', variable=parent.wr_object)
self.label_gener= ttk.Label(self, text='Generators')
self.check_gener= ttk.Checkbutton(self, text='Write', variable=parent.wr_gener)
self.label_symme= ttk.Label(self, text='Symmetry')
self.check_symme= ttk.Checkbutton(self, text='Write', variable=parent.wr_symme)
create_exit_button(self, 'discus', 8, 4, exit_subframe,(parent,0))
#
self.caption.grid(row=0,column=0, columnspan=5, pady=(10,10))
self.label_all.grid(row=4, column=0, sticky='EW')
self.check_all.grid(row=4, column=1)
self.label_scat.grid(row=5, column=0, sticky='EW')
self.check_scat.grid(row=5, column=1)
self.label_ncell.grid(row=6, column=0, sticky='EW')
self.check_ncell.grid(row=6, column=1)
self.label_molec.grid(row=7, column=0, sticky='EW')
self.check_molec.grid(row=7, column=1)
self.label_domain.grid(row=8, column=0, sticky='EW')
self.check_domain.grid(row=8, column=1)
self.label_object.grid(row=9, column=0, sticky='EW')
self.check_object.grid(row=9, column=1)
self.label_gener.grid(row=10, column=0, sticky='EW')
self.check_gener.grid(row=10, column=1)
self.label_symme.grid(row=11, column=0, sticky='EW')
self.check_symme.grid(row=11, column=1)
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='W')
#
four_last = suite.discus_get_four_last()
#
typestring = 'DISCUS output'
typeext = '*.inte *.real *.ampl *.imag *.phase'
self.filename = tk.StringVar()
self.filename.set('Filename undefined')
self.caption = ttk.Label(self, text='Write Fourier pattern to disk')
self.fileb = ttk.Button(
self,
text='Save as',
command=lambda: file_new(self, typestring, typeext))
self.label_fle = ttk.Label(self,
textvariable=self.filename,
relief=tk.RAISED,
foreground=COLORS.warning)
#
self.label_val = ttk.Label(self, text='Value')
self.valScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.val = tk.Listbox(self,
height=2,
width=15,
selectbackground=COLORS.en_back,
selectforeground=COLORS.ok_front,
selectmode=tk.SINGLE,
yscrollcommand=self.valScroll.set)
self.valScroll['command'] = self.val.yview
self.val.configure(exportselection=False)
if four_last > 0 and four_last < 4: # Standard Fourier
self.val_list = [
'inten', 'ampl', 'real', 'imag', 'phase', 'f2aver', 'faver2'
]
self.val.insert(0, 'Intensity')
self.val.insert(1, 'Amplitude')
self.val.insert(2, 'Real part')
self.val.insert(3, 'Imaginary part')
self.val.insert(4, 'Phase angle')
self.val.insert(5, '<form^2>')
self.val.insert(6, '<form>^2')
typestring = 'DISCUS output'
typeext = '*.inte *.real *.ampl *.imag *.phase'
elif four_last < 0 or four_last == 4: # Lots, zone axis
self.val_list = ['inten']
self.val.insert(0, 'Intensity')
typestring = 'DISCUS output'
typeext = '*.inte'
elif four_last == 8 or four_last == 9: # powder
self.val_list = ['inten', 'S(Q)', 'F(Q)', 'f2aver', 'faver2']
self.val.insert(0, 'Intensity')
self.val.insert(1, 'S(Q)')
self.val.insert(2, 'F(Q)')
self.val.insert(3, '<form^2>')
self.val.insert(4, '<form>^2')
typestring = 'DISCUS output'
typeext = '*.inte *.Q *.tth *.SQ *.FQ'
elif four_last > 4 and four_last < 8: # Patterson Inverse Diff-Four
self.val_list = ['ampl']
self.val.insert(0, 'Amplitude')
typestring = 'DISCUS output'
typeext = '*.ampl'
else:
self.val_list = ['inten']
self.val.insert(0, 'None')
typestring = 'DISCUS output'
typeext = '*.inte'
self.val.selection_set(0)
#
self.label_frm = ttk.Label(self, text='Format')
self.frmScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.frm = tk.Listbox(self,
height=2,
width=10,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,
selectmode=tk.SINGLE,
yscrollcommand=self.frmScroll.set)
self.frmScroll['command'] = self.frm.yview
self.frm.configure(exportselection=False)
if four_last > 0 and four_last < 8: # Standard Fourier , Zone axis, Patterson
self.frm_list = ['stan', 'mrc']
self.frm.insert(0, 'Standard')
self.frm.insert(1, 'MRC')
elif four_last == 8 or four_last == 9: # Powder
self.frm_list = ['powder', 'powder, tth', 'powder, q']
self.frm.insert(0, 'Powder')
self.frm.insert(1, 'Powder 2Theta')
self.frm.insert(1, 'Powder Q-scale')
else:
self.frm_list = ['stan']
self.frm.insert(0, 'None')
self.frm.selection_set(0)
if four_last == 3 or four_last == -3:
self.frm.selection_set(1)
#
self.acc = ttk.Button(
self,
text='Run',
command=lambda: self.write_file(parent, four_last))
# create_exit_button(self, 'discus', 6, 6, create_exit_button.donothing, (0, 0))
create_exit_button(self, 'discus', 6, 6, exit_command,
(parent, four_last))
#
self.caption.grid(row=0, column=0, columnspan=5, pady=(10, 10))
self.fileb.grid(row=1, column=0)
#
self.label_fle.grid(row=2,
column=0,
columnspan=5,
padx=(10, 20),
sticky='W')
self.label_val.grid(row=3, column=0, sticky='EWNS')
self.val.grid(row=3, column=1, sticky='EWNS', pady=(5, 0))
self.valScroll.grid(row=3, column=2, sticky='E', pady=(5, 0))
self.label_frm.grid(row=3, column=3, sticky='EWNS', padx=(5, 0))
self.frm.grid(row=3, column=4, sticky='EWNS', pady=(5, 0))
self.frmScroll.grid(row=3, column=5, sticky='E', pady=(5, 0))
self.acc.grid(row=5, column=6)
#
self.acc.configure(state='disabled')
#
line = 'output'
suite.suite_learn(line)
def __init__(self, parent):
tk.Frame.__init__ ( self, parent )
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2,column=0,columnspan=8,sticky='W')
#
self.nscat, self.at_list = get_scat()
#
bsavefile, file_length, sel_atom, w_scat, w_ncell, w_mol, w_dom, w_obj, \
w_gen, w_sym, \
w_start, w_end, p_all, p_nor, p_mol, p_dom, p_out, p_ext, \
p_int, p_lig = suite.discus_get_save()
#
line = bsavefile.decode()[0]
for j in range(file_length-1):
line = line + bsavefile.decode()[j+1]
self.filename = tk.StringVar()
if bsavefile.decode() != ' ':
self.filename.set(line)
else:
self.filename.set('Filename undefined')
self.wr_all = tk.IntVar()
self.wr_scat = tk.IntVar()
self.wr_ncell = tk.IntVar()
self.wr_molec = tk.IntVar()
self.wr_object = tk.IntVar()
self.wr_domain = tk.IntVar()
self.wr_gener = tk.IntVar()
self.wr_symme = tk.IntVar()
#
self.var_p_all = tk.IntVar()
self.var_p_nor = tk.IntVar()
self.var_p_mol = tk.IntVar()
self.var_p_dom = tk.IntVar()
self.var_p_out = tk.IntVar()
self.var_p_ext = tk.IntVar()
self.var_p_int = tk.IntVar()
self.var_p_lig = tk.IntVar()
#
self.var_sel_all = tk.IntVar()
self.var_sel_atoms = np.ones((self.nscat+1))
self.var_sel_all.set(1)
self.atom_check = []
for i in range(self.nscat+1):
number=tk.IntVar()
number.set(1)
self.atom_check.append(number)
print(' SELECT ATOM ? ' + str(i) + ' ' + str(self.atom_check[i].get()))
#
if w_scat==1 and w_ncell==1 and w_mol==1 and w_dom==1 and w_obj==1 \
and w_gen==1 and w_sym==1:
self.wr_all.set(1)
else:
self.wr_all.set(0)
self.wr_scat.set(w_scat)
self.wr_ncell.set(w_ncell)
self.wr_molec.set(w_mol)
self.wr_domain.set(w_dom)
self.wr_object.set(w_obj)
self.wr_gener.set(w_gen)
self.wr_symme.set(w_sym)
self.var_p_all.set(p_all)
self.var_p_nor.set(p_nor)
self.var_p_mol.set(p_mol)
self.var_p_dom.set(p_dom)
self.var_p_out.set(p_out)
self.var_p_ext.set(p_ext)
self.var_p_int.set(p_int)
self.var_p_lig.set(p_lig)
#
typestring = 'DISCUS files'
typeext = '*.cell *.stru *.CELL *.STRU'
self.caption=ttk.Label(self, text='Save a structure to file')
self.fileb = ttk.Button(self, text='Save as:',
command=lambda: file_new(self, typestring, typeext))
self.label_fle = ttk.Label(self, textvariable=self.filename,
foreground=COLORS.ok_active, relief=tk.RAISED)
#
self.sub_menu = 'save'
self.sel_at = ttk.Button(self, text='Select Atom types',
command=lambda: atsel_gui(self, self.sub_menu, 3, 4))
self.propb = ttk.Button(self, text='Properties',
command=lambda: prop_gui(self, self.sub_menu, 3, 4))
self.keywd = ttk.Button(self, text='Keywords',
command=lambda: key_gui(self, self.sub_menu, 4, 4))
#
self.show = ttk.Button(self, text='Show', command=lambda: self.do_show(parent))
self.acc = ttk.Button(self, text='Run', command=lambda: self.do_save(parent))
create_exit_button(self, 'discus', 8, 4, exit_command,(parent,0))
self.caption.grid(row=0,column=0, columnspan=5, pady=(10,10))
self.fileb.grid(row=1, column=0)
self.label_fle.grid(row=2, column=0, columnspan=4, sticky='W')
self.sel_at.grid(row=3, column=0, columnspan=1, pady=(10,0))
self.propb.grid(row=3, column=2, columnspan=1, pady=(10,0))
self.keywd.grid(row=4, column=2, columnspan=1, pady=(10,0))
self.show.grid(row=6, column=4)
self.acc.grid(row=7, column=4)
if self.filename.get == 'Filename undefined':
self.acc.configure(state='disabled')
else:
self.acc.configure(state='normal')
line = 'save'
suite.suite_learn(line)
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='W')
# Get Element symbols and characteristic wavelength from DISCUS
nspcgr, self.spcgr, self.systems = get_spcgr()
#
self.para_a = tk.StringVar()
self.para_b = tk.StringVar()
self.para_c = tk.StringVar()
self.para_alpha = tk.StringVar()
self.para_beta = tk.StringVar()
self.para_gamma = tk.StringVar()
self.spcgr_type = tk.IntVar()
self.spcgr_name = tk.StringVar()
self.spcgr_numb = tk.StringVar()
#
self.para_a.set('5.0')
self.para_b.set('5.0')
self.para_c.set('5.0')
self.para_alpha.set('90.0')
self.para_beta.set('90.0')
self.para_gamma.set('90.0')
self.spcgr_type.set(0)
self.spcgr_name.set('P1')
self.spcgr_numb.set('1')
#
self.caption = ttk.Label(self, text='Define an empty arbitrary space')
self.label_a = ttk.Label(self, text='a')
self.label_b = ttk.Label(self, text='b')
self.label_c = ttk.Label(self, text='c')
self.entry_a = ttk.Entry(self,
textvariable=self.para_a,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_b = ttk.Entry(self,
textvariable=self.para_a,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_c = ttk.Entry(self,
textvariable=self.para_a,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_alpha = ttk.Label(self, text='alpha')
self.label_beta = ttk.Label(self, text='beta')
self.label_gamma = ttk.Label(self, text='gamma')
self.entry_alpha = ttk.Entry(self,
textvariable=self.para_alpha,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_beta = ttk.Entry(self,
textvariable=self.para_beta,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_gamma = ttk.Entry(self,
textvariable=self.para_gamma,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.R0 = tk.Radiobutton(self,
text='Space group symbol',
variable=self.spcgr_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
command=lambda: self.setup_spcgr(0))
self.R1 = tk.Radiobutton(self,
text='Space group number',
variable=self.spcgr_type,
value=1,
command=lambda: self.setup_spcgr(1))
self.yScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.lst_spcgr_name = tk.Listbox(self,
height=2,
width=5,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,
selectmode=tk.SINGLE,
yscrollcommand=self.yScroll.set)
self.yScroll['command'] = self.lst_spcgr_name.yview
self.lst_spcgr_name.configure(exportselection=False)
for i in range(nspcgr):
self.lst_spcgr_name.insert(i, self.spcgr[i])
self.lst_spcgr_name.selection_set(1)
self.lst_spcgr_name.yview_scroll(1, tk.UNITS)
#self.entry_spcgr_name = ttk.Entry(self, textvariable=self.spcgr_name, width=10,
# justify='right', foreground=COLORS.en_fore
# )
self.entry_spcgr_numb = ttk.Entry(self,
textvariable=self.spcgr_numb,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_choice = ttk.Label(self, text='Origin choice')
self.choice = tk.Spinbox(self,
from_=1,
to=2,
width=3,
background=COLORS.en_back,
foreground=COLORS.ok_front)
#
self.acc = ttk.Button(self,
text='Run',
command=lambda: self.define_free(parent))
create_exit_button(self, 'discus', 6, 7, exit_command, (parent, 0))
#
# Grid everything
self.caption.grid(row=0, column=0, columnspan=5, pady=(10, 10))
self.label_a.grid(row=1, column=0, sticky='EW')
self.label_b.grid(row=2, column=0, sticky='EW')
self.label_c.grid(row=3, column=0, sticky='EW')
self.entry_a.grid(row=1, column=1, sticky='EW')
self.entry_b.grid(row=2, column=1, sticky='EW')
self.entry_c.grid(row=3, column=1, sticky='EW')
self.label_alpha.grid(row=1, column=2, sticky='EW')
self.label_beta.grid(row=2, column=2, sticky='EW')
self.label_gamma.grid(row=3, column=2, sticky='EW')
self.entry_alpha.grid(row=1, column=3, sticky='EW')
self.entry_beta.grid(row=2, column=3, sticky='EW')
self.entry_gamma.grid(row=3, column=3, sticky='EW')
self.R0.grid(row=5, column=0, columnspan=3, sticky=tk.W)
self.R1.grid(row=6, column=0, columnspan=3, sticky=tk.W)
self.lst_spcgr_name.grid(row=4, column=3, rowspan=2, sticky='EW')
self.yScroll.grid(row=4, column=4, rowspan=3, sticky='W')
self.entry_spcgr_numb.grid(row=6, column=3, sticky='EW')
self.label_choice.grid(row=5, column=5, sticky='EW')
self.choice.grid(row=5, column=6, sticky='EW')
self.acc.grid(row=5, column=7)
#
self.setup_spcgr(self.spcgr_type.get())
self.acc.configure(state='normal')
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='W')
self.cell_type = tk.IntVar()
self.cell_type.set(0)
self.filename = tk.StringVar()
self.filename.set('Filename undefined')
self.caption = ttk.Label(self,
text='Expand an asymmetric unit from file')
self.fileb = ttk.Button(self, text='Open', command=self.open_file)
self.treat = ttk.Label(self, text='Treat atoms with\nequal names as:')
self.label_fle = ttk.Label(self,
textvariable=self.filename,
relief=tk.RAISED,
foreground=COLORS.ok_active)
self.R1 = tk.Radiobutton(self,
text='Equal types ',
variable=self.cell_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front)
self.R2 = tk.Radiobutton(self,
text='Sep. types',
variable=self.cell_type,
value=1,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front)
self.exp = ttk.Label(self, text='Expand to unit cells:')
self.nx_l = ttk.Label(self, text='NX:')
self.ny_l = ttk.Label(self, text='NY:')
self.nz_l = ttk.Label(self, text='NZ:')
self.nx = tk.Spinbox(self,
from_=1,
to=1000,
width=10,
background=COLORS.en_back,
foreground=COLORS.ok_front)
self.ny = tk.Spinbox(self,
from_=1,
to=1000,
width=10,
background=COLORS.en_back,
foreground=COLORS.ok_front)
self.nz = tk.Spinbox(self,
from_=1,
to=1000,
width=10,
background=COLORS.en_back,
foreground=COLORS.ok_front)
self.acc = ttk.Button(self,
text='Run',
command=lambda: self.display_file(parent))
create_exit_button(self, 'discus', 6, 3, exit_command, (parent, 0))
#
self.caption.grid(row=0, column=0, columnspan=5, pady=(10, 10))
self.fileb.grid(row=1, column=0)
self.treat.grid(row=1, column=3)
self.R1.grid(row=2, column=3, sticky=tk.W)
self.R2.grid(row=3, column=3, sticky=tk.W)
self.exp.grid(row=3, column=0, columnspan=2)
self.nx_l.grid(row=4, column=0)
self.ny_l.grid(row=5, column=0)
self.nz_l.grid(row=6, column=0)
self.nx.grid(row=4, column=1, sticky='W')
self.ny.grid(row=5, column=1, sticky='W')
self.nz.grid(row=6, column=1, sticky='W')
self.acc.grid(row=5, column=3)
self.label_fle.grid(row=2,
column=0,
columnspan=3,
padx=(10, 20),
sticky='W')
self.acc.configure(state='disabled')
self.nx.configure(state='disabled')
self.ny.configure(state='disabled')
self.nz.configure(state='disabled')
self.R1.configure(state='disabled')
self.R2.configure(state='disabled')
line = 'read'
suite.suite_learn(line)
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='EW')
#
# Get PDF settings from DISCUS
radiation, adp, r_max, r_step, lrho0, rho0, corr_lin, corr_quad, \
period, exact, weight, finite, sphere, qmax, qbroad, qdamp \
= suite.discus_get_pdf()
#
# Round input to 5 digits
r_max = round_rbn(r_max, 5)
r_step = round_rbn(r_step, 5)
rho0 = round_rbn(rho0, 5)
weight = round_rbn(weight, 5)
sphere = round_rbn(sphere, 5)
corr_lin = round_rbn(corr_lin, 5)
corr_quad = round_rbn(corr_quad, 5)
qmax = round_rbn(qmax, 5)
qbroad = round_rbn(qbroad, 8)
qdamp = round_rbn(qdamp, 8)
#
# Define variables
# self.lim_min = tk.StringVar() ' Reserved for later use
self.lim_max = tk.StringVar()
self.lim_step = tk.StringVar()
self.rho0 = tk.StringVar()
self.rho0_type = tk.IntVar()
self.corr_lin = tk.StringVar()
self.corr_quad = tk.StringVar()
self.corr_type = tk.IntVar()
self.peri_type = tk.IntVar()
self.exct_type = tk.IntVar()
self.weight = tk.StringVar()
self.finite_type = tk.IntVar()
self.sphere = tk.StringVar()
self.qmax = tk.StringVar()
self.qbroad = tk.StringVar()
self.qdamp = tk.StringVar()
self.filename = tk.StringVar()
#
self.lim_max.set(r_max)
self.lim_step.set(r_step)
self.rho0.set(rho0)
self.rho0_type.set(lrho0)
self.corr_lin.set(corr_lin)
self.corr_quad.set(corr_quad)
if corr_lin > 0.0:
self.corr_type.set(0)
elif corr_quad > 0.0:
self.corr_type.set(1)
else:
self.corr_type.set(0)
self.peri_type.set(period)
self.exct_type.set(exact)
self.weight.set(weight)
self.finite_type.set(finite)
self.sphere.set(sphere)
self.qmax.set(qmax)
self.qbroad.set(qbroad)
self.qdamp.set(qdamp)
self.filename.set('Filename undefined')
#
self.caption = ttk.Label(
self, text='Pair Distribution Function calculations')
self.label_limits = ttk.Label(self, text='PDF range:')
# self.label_min = ttk.Label(self, text='Min:')
self.label_max = ttk.Label(self, text='Max:')
self.label_step = ttk.Label(self, text='Step:')
# self.entry_min = ttk.Entry(self,textvariable=self.lim_min, width=10,
# justify='right', foreground=COLORS.en_fore
# )
self.entry_max = ttk.Entry(self,
textvariable=self.lim_max,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_step = ttk.Entry(self,
textvariable=self.lim_step,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_rho0 = ttk.Label(self, text='Numb. density:')
self.R1 = tk.Radiobutton(self,
text='Automatic',
variable=self.rho0_type,
value=1,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_rho0(1))
self.R0 = tk.Radiobutton(self,
text='Value ',
variable=self.rho0_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_rho0(0))
self.entry_rho0 = ttk.Entry(self,
textvariable=self.rho0,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_corr = ttk.Label(self, text='Corr. correct.:')
self.C0 = tk.Radiobutton(self,
text='linear',
variable=self.corr_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_corr(0))
self.C1 = tk.Radiobutton(self,
text='quadratic',
variable=self.corr_type,
value=1,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_corr(1))
self.entry_corr_lin = ttk.Entry(self,
textvariable=self.corr_lin,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.entry_corr_quad = ttk.Entry(self,
textvariable=self.corr_quad,
width=10,
justify='right',
foreground=COLORS.en_fore)
#
self.label_peri = ttk.Label(self, text='Boundary cond.:')
self.P1 = tk.Radiobutton(self,
text='periodic',
variable=self.peri_type,
value=1,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_peri(0))
self.P0 = tk.Radiobutton(self,
text='crystal',
variable=self.peri_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_peri(1))
# self.E0 = tk.Radiobutton(self,text='linear', variable=self.corr_type,
# value=0, activeforeground=COLORS.ok_active,foreground=COLORS.ok_front, justify='left',
# command=lambda: self.setup_corr( 0))
# self.E1 = tk.Radiobutton(self,text='quadratic', variable=self.corr_type,
# value=1, activeforeground=COLORS.ok_active,foreground=COLORS.ok_front, justify='left',
# command=lambda: self.setup_corr( 1))
self.label_weight = ttk.Label(self, text='Scale factor:')
self.entry_weight = ttk.Entry(self,
textvariable=self.weight,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_finite = ttk.Label(self, text='Finite size corr.:')
self.F0 = tk.Radiobutton(self,
text='infinite',
variable=self.finite_type,
value=0,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_finite(0))
self.F1 = tk.Radiobutton(self,
text='sphere',
variable=self.finite_type,
value=1,
activeforeground=COLORS.ok_active,
foreground=COLORS.ok_front,
justify='left',
command=lambda: self.setup_finite(1))
self.entry_sphere = ttk.Entry(self,
textvariable=self.sphere,
width=10,
justify='right',
foreground=COLORS.en_fore)
#
typestring = 'DISCUS PDF files'
typeext = '*.grcalc *.gr *.pdf'
self.fileb = ttk.Button(
self,
text='Save as',
command=lambda: file_new(self, typestring, typeext))
self.label_fle = ttk.Label(self,
textvariable=self.filename,
relief=tk.RAISED,
foreground=COLORS.ok_active)
self.label_rad = ttk.Label(self, text='Radiation:')
self.rad_type = tk.IntVar()
self.rad_type.set(0)
self.rad = tk.Listbox(self,
height=3,
width=10,
selectbackground=COLORS.en_back,
selectforeground=COLORS.ok_active,
selectmode=tk.SINGLE)
self.rad.configure(exportselection=False)
self.rad.insert(1, 'X-ray')
self.rad.insert(2, 'neutron')
self.rad.insert(3, 'electron')
self.rad.selection_set(radiation)
#
#
self.adp = tk.IntVar()
self.adp.set(adp)
self.label_adp = ttk.Label(self, text='ADP:')
self.check_adp = ttk.Checkbutton(self, text='Use', variable=self.adp)
#
self.label_qmax = ttk.Label(self, text='Qmax:')
self.entry_qmax = ttk.Entry(self,
textvariable=self.qmax,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_qbroad = ttk.Label(self, text='Qbroad:')
self.entry_qbroad = ttk.Entry(self,
textvariable=self.qbroad,
width=10,
justify='right',
foreground=COLORS.en_fore)
self.label_qdamp = ttk.Label(self, text='Qdamp:')
self.entry_qdamp = ttk.Entry(self,
textvariable=self.qdamp,
width=10,
justify='right',
foreground=COLORS.en_fore)
#
self.show = ttk.Button(self,
text='Show',
command=lambda: self.show_pdf(parent))
#
self.acc = ttk.Button(self,
text='Run',
command=lambda: self.run_pdf(parent))
create_exit_button(self, 'discus', 11, 8, self.exit_command,
(parent, 0))
#
# Grid all elements that were not placed via functions
self.caption.grid(row=0,
column=0,
columnspan=9,
sticky='NS',
pady=(10, 10))
self.label_limits.grid(row=2, column=0, columnspan=1, sticky='EW')
# self.label_min.grid (row=1, column=1, columnspan=1, sticky='EW')
self.label_max.grid(row=1, column=1, columnspan=1, sticky='EW')
self.label_step.grid(row=1, column=2, columnspan=1, sticky='EW')
# self.entry_min.grid (row=1, column=1, columnspan=1, sticky='EW')
self.entry_max.grid(row=2, column=1, columnspan=1, sticky='EW')
self.entry_step.grid(row=2, column=2, columnspan=1, sticky='EW')
self.label_rho0.grid(row=3,
column=0,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.R1.grid(row=3, column=1, columnspan=1, sticky='EW', pady=(5, 0))
self.R0.grid(row=4, column=1, columnspan=1, sticky='EW')
self.entry_rho0.grid(row=4, column=2, columnspan=1, sticky='EW')
self.label_corr.grid(row=5, column=0, columnspan=1, sticky='EW')
self.C0.grid(row=5, column=1, columnspan=1, sticky='EW', pady=(5, 0))
self.C1.grid(row=6, column=1, columnspan=1, sticky='EW')
self.entry_corr_lin.grid(row=5,
column=2,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.entry_corr_quad.grid(row=6, column=2, columnspan=1, sticky='EW')
self.label_peri.grid(row=7,
column=0,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.P1.grid(row=7, column=1, columnspan=1, sticky='EW', pady=(5, 0))
self.P0.grid(row=8, column=1, columnspan=1, sticky='EW')
self.label_weight.grid(row=9,
column=0,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.entry_weight.grid(row=9,
column=1,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.label_finite.grid(row=10,
column=0,
columnspan=1,
sticky='EW',
pady=(5, 0))
self.F0.grid(row=10, column=1, columnspan=1, sticky='EW', pady=(5, 0))
self.F1.grid(row=11, column=1, columnspan=1, sticky='EW')
self.entry_sphere.grid(row=11, column=2, columnspan=1, sticky='EW')
self.label_rad.grid(row=1, column=5, padx=(5, 0), sticky='EW')
self.rad.grid(row=1, column=6, rowspan=3, sticky='EW')
self.label_adp.grid(row=4, column=5, padx=(5, 0), sticky='EW')
self.check_adp.grid(row=4, column=6, sticky='EW')
self.label_qmax.grid(row=5, column=5, padx=(5, 0), sticky='EW')
self.entry_qmax.grid(row=5, column=6, sticky='EW')
self.label_qbroad.grid(row=6, column=5, padx=(5, 0), sticky='EW')
self.entry_qbroad.grid(row=6, column=6, sticky='EW')
self.label_qdamp.grid(row=7, column=5, padx=(5, 0), sticky='EW')
self.entry_qdamp.grid(row=7, column=6, sticky='EW')
self.fileb.grid(row=12, column=0)
self.label_fle.grid(row=12,
column=1,
columnspan=5,
padx=(10, 20),
sticky='W')
#
self.show.grid(row=9, column=8, columnspan=1, sticky='EW')
self.acc.grid(row=10, column=8, columnspan=1, sticky='EW')
#
line = 'powder'
suite.suite_learn(line)
#
self.setup_rho0(self.rho0_type.get())
self.setup_corr(self.corr_type.get())
self.setup_finite(self.finite_type.get())
#
self.acc.configure(state='disabled')
def __init__(self, parent):
tk.Frame.__init__ ( self, parent )
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='EW')
#
# Get Element symbols and characteristic wavelength from DISCUS
nwave, self.symbols, self.wavelengths = get_wave()
#
# Get Powder settings from DISCUS
mode, axis, radiation, bElement, wvle, \
ener, adp, ano, theta, qvalues, dhkl, shkl, \
profile, profile_eta, profile_uvw, profile_asy, profile_width, \
profile_delta, preferred, pref_dp, pref_pt, pref_hkl, \
lp, lp_ang, lp_fac \
= suite.discus_get_powder()
#
# Round input to 5 digits
for i in range(len(qvalues)):
qvalues[i] = round_rbn(qvalues[i],5)
theta [i] = round_rbn(theta[i],5)
wvle = round_rbn(wvle,5)
ener = round_rbn(ener,5)
profile_eta = round_rbn(profile_eta,5)
for i in range(len(profile_uvw)):
profile_uvw[i] = round_rbn(profile_uvw[i],5)
for i in range(len(profile_asy)):
profile_asy[i] = round_rbn(profile_asy[i],5)
profile_width = round_rbn(profile_width,5)
profile_delta = round_rbn(profile_delta,5)
pref_dp = round_rbn(pref_dp,5)
pref_pt = round_rbn(pref_pt,5)
for i in range(len(pref_hkl)):
pref_hkl[i] = round_rbn(pref_hkl[i],5)
lp_ang = round_rbn(lp_ang,5)
lp_fac = round_rbn(lp_fac,5)
#
# Determine if an element was given for its characteristic radiation
Element = bElement.decode()
ElementNumber = -1
for i in range(nwave):
if Element == self.symbols[i]:
ElementNumber = i
break
# Define variables
self.calc_mode = tk.IntVar()
self.calc_mode.set(0)
self.calc_axis = tk.IntVar()
self.calc_axis.set(0)
self.lim_min = tk.StringVar()
self.lim_max = tk.StringVar()
self.lim_step = tk.StringVar()
self.profile_eta = tk.StringVar()
self.profile_u = tk.StringVar()
self.profile_v = tk.StringVar()
self.profile_w = tk.StringVar()
self.profile_width = tk.StringVar()
self.pref_dp = tk.StringVar()
self.pref_pt = tk.StringVar()
self.pref_h = tk.StringVar()
self.pref_k = tk.StringVar()
self.pref_l = tk.StringVar()
self.lp_ang = tk.StringVar()
self.lp_fac = tk.StringVar()
if axis==0:
self.lim_min.set(str(qvalues[0]))
self.lim_max.set(str(qvalues[1]))
self.lim_step.set(str(qvalues[2]))
elif axis==1:
self.lim_min.set(str(theta[0]))
self.lim_max.set(str(theta[1]))
self.lim_step.set(str(theta[2]))
self.profile_eta.set(str(profile_eta))
self.profile_u.set(str(profile_uvw[0]))
self.profile_v.set(str(profile_uvw[1]))
self.profile_w.set(str(profile_uvw[2]))
self.profile_width.set(str(profile_width))
#
self.pref_dp.set(str(pref_dp))
self.pref_pt.set(str(pref_pt))
self.pref_h.set(str(pref_hkl[0]))
self.pref_k.set(str(pref_hkl[1]))
self.pref_l.set(str(pref_hkl[2]))
#
self.lp_ang.set(str(lp_ang))
self.lp_fac.set(str(lp_fac))
#
self.caption=ttk.Label(self, text='Powder diffraction calculations')
self.label_mode = ttk.Label(self, text='Powder mode:')
self.mode = tk.Listbox(self, height=2, width=15, selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore, selectmode=tk.SINGLE
)
self.mode.configure(exportselection=False)
self.mode.insert(0,'Debye-Equation')
self.mode.insert(1,'Rec. Spc. Integr.')
self.mode.selection_set(mode)
#
self.label_axis = ttk.Label(self, text='Powder axis:')
self.axis = tk.Listbox(self, height=2, width=15, selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore, selectmode=tk.SINGLE
)
self.axis.configure(exportselection=False)
# self.axis.insert(0,'d-star')
self.axis.insert(0,'Q[A^-1]')
self.axis.insert(1,'2-Theta')
self.axis.selection_set(axis)
self.label_limits = ttk.Label(self, text='Powder range:')
self.label_min = ttk.Label(self, text='Min:')
self.label_max = ttk.Label(self, text='Max:')
self.label_step = ttk.Label(self, text='Step:')
self.entry_min = ttk.Entry(self,textvariable=self.lim_min, width=10,
justify='right', background=COLORS.en_back, foreground=COLORS.en_fore
)
self.entry_max = ttk.Entry(self,textvariable=self.lim_max, width=10,
justify='right', background=COLORS.en_back, foreground=COLORS.en_fore
)
self.entry_step= ttk.Entry(self,textvariable=self.lim_step,width=10,
justify='right', background=COLORS.en_back, foreground=COLORS.en_fore
)
# Set values and label according to powder axis
self.convert_axis(0,0,qvalues, theta)
#
self.label_prof = ttk.Label(self, text='Profile:')
self.prof_yScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.prof_func = tk.Listbox(self, height=2, width=15,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,selectmode=tk.SINGLE
)
self.prof_func.configure(exportselection=False)
self.prof_func.insert(0,'None')
self.prof_func.insert(1,'Gauss')
self.prof_func.insert(2,'PseudoVoigt')
self.prof_func.selection_set(profile)
self.prof_func.yview_scroll(profile, tk.UNITS)
self.prof_yScroll['command'] = self.prof_func.yview
self.label_prof_eta = ttk.Label(self, text='Profile eta:')
self.entry_prof_eta = ttk.Entry(self,textvariable=self.profile_eta,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.label_prof_uvw = ttk.Label(self, text='Profile uvw:')
self.entry_prof_u = ttk.Entry(self,textvariable=self.profile_u,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.entry_prof_v = ttk.Entry(self,textvariable=self.profile_v,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.entry_prof_w = ttk.Entry(self,textvariable=self.profile_w,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore)
self.label_prof_width = ttk.Label(self, text='Profile width:'
)
self.entry_prof_width = ttk.Entry(self,textvariable=self.profile_width,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore)
self.label_prof_units = ttk.Label(self, text='* FWHM'
)
#
self.label_pref = ttk.Label(self, text='Preferred:')
self.pref_yScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.pref_func = tk.Listbox(self, height=2, width=15,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,selectmode=tk.SINGLE
)
self.pref_func.configure(exportselection=False)
self.pref_func.insert(0,'None')
self.pref_func.insert(1,'Rietveld')
self.pref_func.insert(2,'March')
self.pref_func.selection_set(preferred)
self.pref_func.yview_scroll(preferred, tk.UNITS)
self.pref_yScroll['command'] = self.pref_func.yview
self.label_pref_dp = ttk.Label(self, text='Pref. Damp:')
self.entry_pref_dp = ttk.Entry(self, textvariable=self.pref_dp,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.label_pref_pt = ttk.Label(self, text='Pref. Frac:')
self.entry_pref_pt = ttk.Entry(self, textvariable=self.pref_pt,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.label_pref_hkl= ttk.Label(self, text='Pref. HKL :')
self.entry_pref_h = ttk.Entry(self, textvariable=self.pref_h,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.entry_pref_k = ttk.Entry(self, textvariable=self.pref_k,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.entry_pref_l = ttk.Entry(self, textvariable=self.pref_l,
width=10, justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
#
self.label_lp = ttk.Label(self, text='LP Corr.:')
self.lp_yScroll = tk.Scrollbar(self, orient=tk.VERTICAL)
self.lp_func = tk.Listbox(self, height=2, width=15,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore, selectmode=tk.SINGLE
)
self.lp_func.configure(exportselection=False)
self.lp_func.insert(0, 'None')
self.lp_func.insert(1, 'Bragg-Br.')
self.lp_func.insert(2, 'Neutron')
self.lp_func.insert(3, 'Synchrotron')
self.lp_func.selection_set(lp)
self.lp_func.yview_scroll(lp, tk.UNITS)
self.lp_yScroll['command'] = self.lp_func.yview
self.label_lp_ang = ttk.Label(self, text='Mono.Theta')
self.entry_lp_ang = ttk.Entry(self, textvariable=self.lp_ang, width=10,
justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
self.label_lp_fac = ttk.Label(self, text='Fraction:')
self.entry_lp_fac = ttk.Entry(self, textvariable=self.lp_fac, width=10,
justify='right', background=COLORS.en_back,
foreground=COLORS.en_fore
)
#
discus_rad_menu(self, nwave, radiation, wvle, ener, ElementNumber,
adp, ano, 1, 4
)
#
# Do bindings to powder axis
self.axis.bind('<ButtonRelease-1>',
lambda eff: self.convert_axis(eff, 1, qvalues, theta))
self.prof_func.bind('<ButtonRelease-1>',
lambda eff: self.convert_profile(eff, 1, profile_uvw, profile_delta))
self.pref_func.bind('<ButtonRelease-1>',
lambda eff: self.convert_pref(eff, 1, pref_dp, pref_pt, pref_hkl))
self.lp_func.bind('<ButtonRelease-1>',
lambda eff: self.convert_lp(eff, 1, lp_ang, lp_fac))
#
self.convert_profile(0,0,profile_uvw, profile_delta)
self.convert_pref(0,0,pref_dp, pref_pt, pref_hkl)
self.convert_lp(0,0,lp_ang, lp_fac)
#
self.acc = ttk.Button(self, text='Run', command=lambda: self.run_powder(parent))
#
#
self.show= ttk.Button(self, text='Show', command=lambda: self.show_powder(parent))
#
#
create_exit_button(self,'discus',11,8,self.exit_command,(parent,0))
#
# Grid all elements that were not placed via functions
self.caption.grid ( row=0, column=0, columnspan=8, sticky='NS', pady=(10,10))
self.label_mode.grid ( row=1, column=0, columnspan=1, sticky='EW')
self.mode.grid ( row=1, column=1, columnspan=2, sticky='W')
self.label_axis.grid ( row=3, column=0, columnspan=1, sticky='EW')
self.axis.grid ( row=3, column=1, columnspan=2, sticky='W')
self.label_limits.grid( row=5, column=0, columnspan=1, sticky='EW')
self.label_min.grid ( row=4, column=1, columnspan=1, sticky='EW')
self.label_max.grid ( row=4, column=2, columnspan=1, sticky='EW')
self.label_step.grid ( row=4, column=3, columnspan=1, sticky='EW')
self.entry_min.grid ( row=5, column=1, columnspan=1, sticky='EW')
self.entry_max.grid ( row=5, column=2, columnspan=1, sticky='EW')
self.entry_step.grid ( row=5, column=3, columnspan=1, sticky='EW')
self.label_prof.grid ( row=6, column=0, columnspan=1, sticky='EW')
self.prof_func.grid ( row=6, column=1, columnspan=1, sticky='EW')
self.prof_yScroll.grid( row=6, column=2, columnspan=1, sticky='W')
self.label_prof_eta.grid( row=7, column=0, columnspan=1, sticky='EW')
self.entry_prof_eta.grid( row=7, column=1, columnspan=1, sticky='EW')
self.label_prof_uvw.grid( row=8, column=0, columnspan=1, sticky='EW')
self.entry_prof_u.grid( row=8, column=1, columnspan=1, sticky='EW')
self.entry_prof_v.grid( row=8, column=2, columnspan=1, sticky='EW')
self.entry_prof_w.grid( row=8, column=3, columnspan=1, sticky='EW')
self.label_prof_width.grid(row=9, column=0, columnspan=1, sticky='EW')
self.entry_prof_width.grid(row=9, column=1, columnspan=1, sticky='EW')
self.label_prof_units.grid(row=9, column=2, columnspan=1, sticky='EW')
self.show.grid( row=9, column=8, columnspan=1, sticky='EW')
self.acc.grid( row=10, column=8, columnspan=1, sticky='EW')
self.label_pref.grid( row=10, column=0, columnspan=1, sticky='EW')
self.pref_func.grid ( row=10, column=1, columnspan=1, sticky='EW')
self.pref_yScroll.grid( row=10, column=2, columnspan=1, sticky='W')
self.label_pref_dp.grid( row=11, column=0, columnspan=1, sticky='EW')
self.entry_pref_dp.grid( row=11, column=1, columnspan=1, sticky='EW')
self.label_pref_pt.grid( row=12, column=0, columnspan=1, sticky='EW')
self.entry_pref_pt.grid( row=12, column=1, columnspan=1, sticky='EW')
self.label_pref_hkl.grid( row=13, column=0, columnspan=1, sticky='EW')
self.entry_pref_h.grid( row=13, column=1, columnspan=1, sticky='EW')
self.entry_pref_k.grid( row=13, column=2, columnspan=1, sticky='EW')
self.entry_pref_l.grid( row=13, column=3, columnspan=1, sticky='EW')
self.label_lp.grid( row=6, column=4, columnspan=1, sticky='EW')
self.lp_func.grid ( row=6, column=5, columnspan=1, sticky='EW',padx=(5,0))
self.lp_yScroll.grid( row=6, column=6, columnspan=1, sticky='W')
self.label_lp_ang.grid( row=7, column=4, columnspan=1, sticky='EW',padx=(5,0))
self.entry_lp_ang.grid( row=7, column=5, columnspan=1, sticky='EW')
self.label_lp_fac.grid( row=8, column=4, columnspan=1, sticky='EW',padx=(5,0))
self.entry_lp_fac.grid( row=8, column=5, columnspan=1, sticky='EW')
#
line = 'powder'
suite.suite_learn(line)
def __init__(self, parent, sub_menu, pos_row, pos_col):
tk.Frame.__init__ ( self, parent )
self.config(borderwidth=4, relief=tk.RAISED, background=COLORS.fr_sub)
self.grid(row=pos_row,column=pos_col,columnspan=8,sticky='W')
#
parent.var_p_all = tk.IntVar()
parent.var_p_nor = tk.IntVar()
parent.var_p_mol = tk.IntVar()
parent.var_p_dom = tk.IntVar()
parent.var_p_out = tk.IntVar()
parent.var_p_ext = tk.IntVar()
parent.var_p_int = tk.IntVar()
parent.var_p_lig = tk.IntVar()
parent.var_p_all.set(0)
parent.var_p_nor.set(0)
parent.var_p_mol.set(0)
parent.var_p_dom.set(0)
parent.var_p_out.set(0)
parent.var_p_ext.set(0)
parent.var_p_int.set(0)
parent.var_p_lig.set(0)
#
self.caption=ttk.Label(self, text='Property selection')
#
self.label_p_all = ttk.Label(self, text='All props')
self.r0_p_all = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_all, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
command=lambda: self.set_access(parent, 0, 0)
)
self.r1_p_all = tk.Radiobutton(self, text='present',
variable=parent.var_p_all, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
command=lambda: self.set_access(parent, 0, 1)
)
self.r2_p_all = tk.Radiobutton(self, text='absent',
variable=parent.var_p_all, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
command=lambda: self.set_access(parent, 0, 2)
)
self.r3_p_all = tk.Radiobutton(self, text='individually set',
variable=parent.var_p_all, value=3,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
command=lambda: self.set_access(parent, 0, 3)
)
#
self.label_p_nor = ttk.Label(self, text='Atom is normal ')
self.r0_p_nor = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_nor, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_nor = tk.Radiobutton(self, text='present',
variable=parent.var_p_nor, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_nor = tk.Radiobutton(self, text='absent',
variable=parent.var_p_nor, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_mol = ttk.Label(self, text='Atom is in molecule')
self.r0_p_mol = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_mol, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_mol = tk.Radiobutton(self, text='present',
variable=parent.var_p_mol, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_mol = tk.Radiobutton(self, text='absent',
variable=parent.var_p_mol, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_dom = ttk.Label(self, text='Atom is in domain')
self.r0_p_dom = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_dom, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_dom = tk.Radiobutton(self, text='present',
variable=parent.var_p_dom, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_dom = tk.Radiobutton(self, text='absent',
variable=parent.var_p_dom, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_out = ttk.Label(self, text='Atom outside crystal')
self.r0_p_out = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_out, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_out = tk.Radiobutton(self, text='present',
variable=parent.var_p_out, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_out = tk.Radiobutton(self, text='absent',
variable=parent.var_p_out, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_ext = ttk.Label(self, text='Atom at ext. surf.')
self.r0_p_ext = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_ext, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_ext = tk.Radiobutton(self, text='present',
variable=parent.var_p_ext, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_ext = tk.Radiobutton(self, text='absent',
variable=parent.var_p_ext, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_int = ttk.Label(self, text='Atom at int. surf.')
self.r0_p_int = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_int, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_int = tk.Radiobutton(self, text='present',
variable=parent.var_p_int, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_int = tk.Radiobutton(self, text='absent',
variable=parent.var_p_int, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
self.label_p_lig = ttk.Label(self, text='Atom is in ligand')
self.r0_p_lig = tk.Radiobutton(self, text='ignore',
variable=parent.var_p_lig, value=0,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r1_p_lig = tk.Radiobutton(self, text='present',
variable=parent.var_p_lig, value=1,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
self.r2_p_lig = tk.Radiobutton(self, text='absent',
variable=parent.var_p_lig, value=2,
activeforeground=COLORS.ok_active, foreground=COLORS.ok_front,
justify='left',
)
#
# self.acc = ttk.Button(self, text='Accept', command=lambda: self.set_prop(sub_menu))
create_exit_button(self, 'discus', 8, 4, exit_command,(parent,0))
#
self.caption.grid(row=0,column=0, columnspan=5, pady=(10,10))
self.label_p_all.grid(row=1, column=0, sticky='EW', pady=(0,10))
self.r0_p_all.grid(row=1, column=1, pady=(0,10))
self.r1_p_all.grid(row=1, column=2, pady=(0,10))
self.r2_p_all.grid(row=1, column=3, pady=(0,10))
self.r3_p_all.grid(row=1, column=4, pady=(0,10))
self.label_p_nor.grid(row=2, column=0, sticky='EW')
self.r0_p_nor.grid(row=2, column=1)
self.r1_p_nor.grid(row=2, column=2)
self.r2_p_nor.grid(row=2, column=3)
self.label_p_mol.grid(row=3, column=0, sticky='EW')
self.r0_p_mol.grid(row=3, column=1)
self.r1_p_mol.grid(row=3, column=2)
self.r2_p_mol.grid(row=3, column=3)
self.label_p_dom.grid(row=4, column=0, sticky='EW')
self.r0_p_dom.grid(row=4, column=1)
self.r1_p_dom.grid(row=4, column=2)
self.r2_p_dom.grid(row=4, column=3)
self.label_p_out.grid(row=5, column=0, sticky='EW')
self.r0_p_out.grid(row=5, column=1)
self.r1_p_out.grid(row=5, column=2)
self.r2_p_out.grid(row=5, column=3)
self.label_p_ext.grid(row=6, column=0, sticky='EW')
self.r0_p_ext.grid(row=6, column=1)
self.r1_p_ext.grid(row=6, column=2)
self.r2_p_ext.grid(row=6, column=3)
self.label_p_int.grid(row=7, column=0, sticky='EW')
self.r0_p_int.grid(row=7, column=1)
self.r1_p_int.grid(row=7, column=2)
self.r2_p_int.grid(row=7, column=3)
self.label_p_lig.grid(row=8, column=0, sticky='EW')
self.r0_p_lig.grid(row=8, column=1)
self.r1_p_lig.grid(row=8, column=2)
self.r2_p_lig.grid(row=8, column=3)
# self.acc.grid(row=7, column=4)
#
self.set_access(parent, 0, 0)
def __init__(self, parent):
tk.Frame.__init__(self, parent)
self.config(borderwidth=2, relief=tk.RAISED, background=COLORS.fr_read)
self.grid(row=2, column=0, columnspan=8, sticky='EW')
#
# Get Element symbols and characteristic wavelength from DISCUS
nwave, self.symbols, self.wavelengths = get_wave()
#
# Get Fourier settings from DISCUS
corners, increment, radiation, bElement, wvle, ener, adp, ano, \
percent, lot_type, lot_num, lot_dim, lot_per \
= suite.discus_get_fourier()
for i in range(4):
for j in range(3):
corners[i, j] = round_rbn(corners[i, j], 5)
wvle = round_rbn(wvle, 5)
ener = round_rbn(ener, 5)
#
# Determine if an element was given for its characteristic radiation
Element = bElement.decode()
ElementNumber = -1
for i in range(nwave):
if Element == self.symbols[i]:
ElementNumber = i
break
self.ll_h = tk.StringVar()
self.ll_k = tk.StringVar()
self.ll_l = tk.StringVar()
self.lr_h = tk.StringVar()
self.lr_k = tk.StringVar()
self.lr_l = tk.StringVar()
self.ul_h = tk.StringVar()
self.ul_k = tk.StringVar()
self.ul_l = tk.StringVar()
self.tl_h = tk.StringVar()
self.tl_k = tk.StringVar()
self.tl_l = tk.StringVar()
self.ll_h.set(str(corners[0, 0]))
self.ll_k.set(str(corners[0, 1]))
self.ll_l.set(str(corners[0, 2]))
self.lr_h.set(str(corners[1, 0]))
self.lr_k.set(str(corners[1, 1]))
self.lr_l.set(str(corners[1, 2]))
self.ul_h.set(str(corners[2, 0]))
self.ul_k.set(str(corners[2, 1]))
self.ul_l.set(str(corners[2, 2]))
self.tl_h.set(str(corners[3, 0]))
self.tl_k.set(str(corners[3, 1]))
self.tl_l.set(str(corners[3, 2]))
self.caption = ttk.Label(self,
text='Single crystal Fourier calculations')
self.label_h = ttk.Label(self, text='H', anchor='center')
self.label_k = ttk.Label(self, text='K', anchor='center')
self.label_l = ttk.Label(self, text='L', anchor='center')
self.label_ll = ttk.Label(self, text='Lower left')
self.label_lr = ttk.Label(self, text='Lower right')
self.label_ul = ttk.Label(self, text='Upper left')
self.label_tl = ttk.Label(self, text='Top left')
self.entry_ll_h = ttk.Entry(self,
textvariable=self.ll_h,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_ll_k = ttk.Entry(self,
textvariable=self.ll_k,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_ll_l = ttk.Entry(self,
textvariable=self.ll_l,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_lr_h = ttk.Entry(self,
textvariable=self.lr_h,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_lr_k = ttk.Entry(self,
textvariable=self.lr_k,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_lr_l = ttk.Entry(self,
textvariable=self.lr_l,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_ul_h = ttk.Entry(self,
textvariable=self.ul_h,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_ul_k = ttk.Entry(self,
textvariable=self.ul_k,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_ul_l = ttk.Entry(self,
textvariable=self.ul_l,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_tl_h = ttk.Entry(self,
textvariable=self.tl_h,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_tl_k = ttk.Entry(self,
textvariable=self.tl_k,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.entry_tl_l = ttk.Entry(self,
textvariable=self.tl_l,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
#
self.label_np = ttk.Label(self, text='Points along axis:')
self.label_np_a = ttk.Label(self, text='Abscissa')
self.label_np_o = ttk.Label(self, text='Ordinate')
self.label_np_t = ttk.Label(self, text='Top axis')
self.np_aa = tk.StringVar()
self.np_oo = tk.StringVar()
self.np_tt = tk.StringVar()
self.np_aa.set(str(increment[0]))
self.np_oo.set(str(increment[1]))
self.np_tt.set(str(increment[2]))
self.np_a = tk.Spinbox(self,
from_=1,
to=1001,
width=8,
justify='right',
textvariable=self.np_aa,
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.np_o = tk.Spinbox(self,
from_=1,
to=1001,
width=8,
justify='right',
textvariable=self.np_oo,
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.np_t = tk.Spinbox(self,
from_=1,
to=1001,
width=8,
justify='right',
textvariable=self.np_tt,
background=COLORS.en_back,
foreground=COLORS.en_fore)
#
discus_rad_menu(self, nwave, radiation, wvle, ener, ElementNumber, adp,
ano, 1, 4)
#
#
self.Aver = tk.StringVar()
self.Aver.set(percent)
self.LabelAver =ttk.Label(self, \
text='Subtract scattering by average structure sampled at')
self.EntryAver = ttk.Entry(self,
textvariable=self.Aver,
width=8,
justify='right',
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.LabelAverPer = ttk.Label(self, text='%')
#
#
self.lot_use = tk.IntVar()
if lot_type == 0:
self.lot_use.set(0)
else:
self.lot_use.set(1)
self.label_lot = ttk.Label(self, text='Lots:')
self.check_lot = ttk.Checkbutton(self,
text='Use',
variable=self.lot_use)
self.check_lot.bind('<ButtonRelease-1>', self.lot_event)
#
self.label_lotshape = ttk.Label(self, text='Lot Shape:')
self.lot_shape = tk.Listbox(self,
height=2,
width=10,
selectbackground=COLORS.en_back,
selectforeground=COLORS.en_fore,
selectmode=tk.SINGLE)
self.lot_shape.configure(exportselection=False)
self.lot_shape.insert(1, 'Box')
self.lot_shape.insert(2, 'Ellipsoid')
if lot_type == 1 or lot_type == 0:
self.lot_shape.selection_set(0)
elif lot_type == 2:
self.lot_shape.selection_set(1)
#
self.label_lotnum = ttk.Label(self, text='Lot Number:')
self.lotnn = tk.StringVar()
self.lotnn.set(str(lot_num))
self.lotn = tk.Spinbox(self,
from_=1,
to=1001,
width=6,
justify='right',
textvariable=self.lotnn,
background=COLORS.en_back,
foreground=COLORS.en_fore)
#
self.label_lotdimx = ttk.Label(self, text='Lot Size X:')
self.label_lotdimy = ttk.Label(self, text='Lot Size Y:')
self.label_lotdimz = ttk.Label(self, text='Lot Size Z:')
self.lotxx = tk.StringVar()
self.lotxx.set(str(lot_dim[0]))
self.lotyy = tk.StringVar()
self.lotyy.set(str(lot_dim[1]))
self.lotzz = tk.StringVar()
self.lotzz.set(str(lot_dim[2]))
self.lotx = tk.Spinbox(self,
from_=1,
to=1001,
width=6,
justify='right',
textvariable=self.lotxx,
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.loty = tk.Spinbox(self,
from_=1,
to=1001,
width=6,
justify='right',
textvariable=self.lotyy,
background=COLORS.en_back,
foreground=COLORS.en_fore)
self.lotz = tk.Spinbox(self,
from_=1,
to=1001,
width=6,
justify='right',
textvariable=self.lotzz,
background=COLORS.en_back,
foreground=COLORS.en_fore)
#
self.label_lot_per = ttk.Label(self, text='Lots:')
self.lot_per = tk.IntVar()
if lot_per == 0:
self.lot_per.set(0)
else:
self.lot_per.set(1)
self.check_lot_per = tk.Checkbutton(self,
text='Periodic',
variable=self.lot_per)
self.lot_menu(self.lot_use.get())
#
#
self.acc = ttk.Button(
self,
text='Run',
command=lambda: self.calc_fourier(
parent, corners, increment, radiation, wvle, ener, adp, ano,
percent, lot_type, lot_num, lot_dim, lot_per))
#
#
self.show = ttk.Button(
self,
text='Show',
command=lambda: self.show_fourier(
parent, corners, increment, radiation, wvle, ener, adp, ano,
percent, lot_type, lot_num, lot_dim, lot_per))
#
#
create_exit_button(
self, 'discus', 11, 8, self.exit_command,
(parent, corners, increment, radiation, wvle, ener, adp, ano,
percent, lot_type, lot_num, lot_dim, lot_per))
#
#
self.CExplain = tk.Canvas(self,
bg=COLORS.fr_read,
height=200,
width=400)
self.CExplain.create_text(20,
20,
text='Calculates an arbitrary line, ',
anchor=tk.W)
self.CExplain.create_text(20,
35,
text='plane or voxel in reciprocal ',
anchor=tk.W)
self.CExplain.create_text(20,
50,
text='space. The corners are the ',
anchor=tk.W)
self.CExplain.create_text(20,
65,
text='lower left, lower right...',
anchor=tk.W)
self.CExplain.create_text(20,
80,
text='Points include the corners as ',
anchor=tk.W)
self.CExplain.create_text(20,
95,
text='shown in the schematic drawing.',
anchor=tk.W)
self.CExplain.create_line(400, 120, 600, 160, width=4)
self.CExplain.create_line(400, 120, 400, 20, width=4)
self.CExplain.create_line(400, 120, 500, 60, width=4)
self.CExplain.create_oval(400 - 5,
120 - 5,
400 + 5,
120 + 5,
fill='black')
self.CExplain.create_oval(467 - 5,
133 - 5,
467 + 5,
133 + 5,
fill='black')
self.CExplain.create_oval(533 - 5,
147 - 5,
533 + 5,
147 + 5,
fill='black')
self.CExplain.create_oval(600 - 5,
160 - 5,
600 + 5,
160 + 5,
fill='black')
self.CExplain.create_oval(400 - 5,
70 - 5,
400 + 5,
70 + 5,
fill='black')
self.CExplain.create_oval(400 - 5,
20 - 5,
400 + 5,
20 + 5,
fill='black')
self.CExplain.create_oval(500 - 5,
60 - 5,
500 + 5,
60 + 5,
fill='black')
self.CExplain.create_text(390, 120, text='Lower left', anchor=tk.E)
self.CExplain.create_text(600,
180,
text='Lower right',
anchor=tk.CENTER)
self.CExplain.create_text(390, 20, text='Upper left', anchor=tk.E)
self.CExplain.create_text(510, 60, text='Top left', anchor=tk.W)
self.CExplain.create_text(500,
160,
text='Points along abscissa = 4',
anchor=tk.E)
self.CExplain.create_text(390,
70,
text='Points along ordinate = 3',
anchor=tk.E)
#
## # If an Element name was given, make this active
## if ElementNumber > -1:
## self.ele.configure(state='normal')
## self.entry_wvle.configure(state='disabled')
## self.entry_ener.configure(state='disabled')
## self.rad_type.set(2)
## else:
## self.ele.configure(state='disabled')
## self.entry_wvle.configure(state='normal')
## self.entry_ener.configure(state='disabled')
## self.rad_type.set(0)
self.caption.grid(row=0, column=0, columnspan=8, pady=(10, 10))
self.label_h.grid(row=1, column=1, sticky='EW')
self.label_k.grid(row=1, column=2, sticky='EW')
self.label_l.grid(row=1, column=3, sticky='EW')
self.label_ll.grid(row=2, column=0, sticky='EW')
self.label_lr.grid(row=3, column=0, sticky='EW')
self.label_ul.grid(row=4, column=0, sticky='EW')
self.label_tl.grid(row=5, column=0, sticky='EW')
self.entry_ll_h.grid(row=2, column=1, sticky='EW')
self.entry_ll_k.grid(row=2, column=2, sticky='EW')
self.entry_ll_l.grid(row=2, column=3, sticky='EW')
self.entry_lr_h.grid(row=3, column=1, sticky='EW')
self.entry_lr_k.grid(row=3, column=2, sticky='EW')
self.entry_lr_l.grid(row=3, column=3, sticky='EW')
self.entry_ul_h.grid(row=4, column=1, sticky='EW')
self.entry_ul_k.grid(row=4, column=2, sticky='EW')
self.entry_ul_l.grid(row=4, column=3, sticky='EW')
self.entry_tl_h.grid(row=5, column=1, sticky='EW')
self.entry_tl_k.grid(row=5, column=2, sticky='EW')
self.entry_tl_l.grid(row=5, column=3, sticky='EW')
self.label_np.grid(row=6,
column=0,
pady=(5, 0),
columnspan=2,
sticky='EW')
self.label_np_a.grid(row=7, column=0, sticky='EW')
self.label_np_o.grid(row=8, column=0, sticky='EW')
self.label_np_t.grid(row=9, column=0, sticky='EW')
self.np_a.grid(row=7, column=1, columnspan=1, sticky='EW')
self.np_o.grid(row=8, column=1, columnspan=1, sticky='EW')
self.np_t.grid(row=9, column=1, columnspan=1, sticky='EW')
#
self.LabelAver.grid(row=6, column=3, columnspan=7, sticky='EW')
self.EntryAver.grid(row=6, column=7, sticky='EW')
self.LabelAverPer.grid(row=6, column=8, sticky='W')
self.label_lot.grid(row=7, column=4, sticky='EW')
self.check_lot.grid(row=7, column=5, sticky='EW')
self.label_lotshape.grid(row=9, column=3, sticky='EW')
self.lot_shape.grid(row=9, column=4, rowspan=2, sticky='EW')
self.label_lotnum.grid(row=11, column=3, sticky='EW')
self.lotn.grid(row=11, column=4, sticky='EW')
self.label_lotdimx.grid(row=9, column=5, sticky='EW')
self.label_lotdimy.grid(row=10, column=5, sticky='EW')
self.label_lotdimz.grid(row=11, column=5, sticky='EW')
self.lotx.grid(row=9, column=6, sticky='EW')
self.loty.grid(row=10, column=6, sticky='EW')
self.lotz.grid(row=11, column=6, sticky='EW')
self.label_lot_per.grid(row=8, column=4, sticky='EW')
self.check_lot_per.grid(row=8, column=5, sticky='EW')
self.show.grid(row=9, column=8)
self.acc.grid(row=10, column=8)
self.CExplain.grid(row=12, column=0, columnspan=9, sticky='EW')
#
line = 'fourier'
suite.suite_learn(line)