sld_panel.py @ 4688acf

Last change on this file since 4688acf was 5251ec6, checked in by Paul Kienzle <pkienzle@…>, 6 years ago
improved support for py37 in sasgui
Property mode set to `100644`
File size: 23.2 KB

Rev	Line
[959eb01]	1	"""
	2	This module provide GUI for the neutron scattering length density calculator
	3
	4	"""
	5
	6	import wx
	7	import math
	8	import sys
	9
	10	from sas.sasgui.guiframe.panel_base import PanelBase
	11
	12	from sas.sasgui.guiframe.utils import format_number
	13	from sas.sasgui.guiframe.utils import check_float
	14	from sas.sasgui.guiframe.events import StatusEvent
	15
	16	# the calculator default value for wavelength is 6
	17	#import periodictable
	18	from periodictable import formula
	19	from periodictable.xsf import xray_energy
	20	from periodictable.xsf import xray_sld_from_atoms
	21	from periodictable.nsf import neutron_scattering
	22	from sas.sasgui.perspectives.calculator import calculator_widgets as widget
	23	from sas.sasgui.guiframe.documentation_window import DocumentationWindow
	24
	25	WAVELENGTH = 6.0
	26	_BOX_WIDTH = 76
	27	_STATICBOX_WIDTH = 350
	28	_SCALE = 1e-6
	29
	30	#SLD panel size
	31	if sys.platform.count("win32") > 0:
	32	PANEL_TOP = 0
	33	_STATICBOX_WIDTH = 350
	34	PANEL_SIZE = 400
	35	FONT_VARIANT = 0
	36	else:
	37	PANEL_TOP = 60
	38	_STATICBOX_WIDTH = 380
	39	PANEL_SIZE = 410
	40	FONT_VARIANT = 1
	41
	42	class SldPanel(wx.Panel, PanelBase):
	43	"""
	44	Provides the SLD calculator GUI.
	45	"""
	46	## Internal nickname for the window, used by the AUI manager
	47	window_name = "SLD Calculator"
	48	## Name to appear on the window title bar
	49	window_caption = "SLD Calculator"
	50	## Flag to tell the AUI manager to put this panel in the center pane
	51	CENTER_PANE = True
	52
	53	def __init__(self, parent, base=None, args, *kwds):
	54	"""
	55	"""
	56	wx.Panel.__init__(self, parent, args, *kwds)
	57	PanelBase.__init__(self)
	58	#Font size
	59	self.SetWindowVariant(variant=FONT_VARIANT)
	60	# Object that receive status event
	61	self.base = base
[8963a55]	62	self.neutron_wavelength = WAVELENGTH
[bd8411d5]	63	self.xray_source_input = WAVELENGTH
[959eb01]	64	self.parent = parent
	65	#layout attribute
	66	self.compound_ctl = None
	67	self.density_ctl = None
	68	self.compound = ""
	69	self.density = ""
[8963a55]	70	self.neutron_wavelength_ctl = None
[bd8411d5]	71	self.xray_source_input_ctl = None
[8963a55]	72	self.xray_cbox = None
[959eb01]	73	self.neutron_sld_real_ctl = None
	74	self.neutron_sld_im_ctl = None
[8963a55]	75	self.xray_sld_real_ctl = None
	76	self.xray_sld_im_ctl = None
[959eb01]	77	self.neutron_abs_ctl = None
	78	self.neutron_inc_ctl = None
	79	self.neutron_length_ctl = None
	80	self.button_calculate = None
[8963a55]	81	self.xray_source = None
[959eb01]	82	#Draw the panel
	83	self._do_layout()
	84	self.SetAutoLayout(True)
	85	self.Layout()
[8963a55]	86	self.fill_xray_cbox()
[959eb01]	87
	88	def _do_layout(self):
	89	"""
	90	Draw window content
	91	"""
	92	unit_a = '[A]'
	93	unit_density = '[g/cm^(3)]'
	94	unit_sld = '[1/A^(2)]'
	95	unit_cm1 = '[1/cm]'
	96	unit_cm = '[cm]'
	97	sizer_input = wx.GridBagSizer(5, 5)
	98	sizer_output = wx.GridBagSizer(5, 5)
	99	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	100	sizer1 = wx.BoxSizer(wx.HORIZONTAL)
	101	sizer2 = wx.BoxSizer(wx.HORIZONTAL)
	102	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
	103	#---------inputs----------------
	104	inputbox = wx.StaticBox(self, -1, "Input")
	105	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
	106	boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1))
	107
	108	compound_txt = wx.StaticText(self, -1, 'Compound ')
	109	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 2, -1))
	110	density_txt = wx.StaticText(self, -1, 'Density ')
	111	self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
	112	unit_density_txt = wx.StaticText(self, -1, unit_density)
[8963a55]	113	neutron_wavelength_txt = wx.StaticText(self, -1, 'Neutron wavelength')
	114	self.neutron_wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
	115	self.neutron_wavelength_ctl.SetValue(str(self.neutron_wavelength))
[fe09e9b]	116	self.xray_source_input_txt = wx.StaticText(self, -1, 'X-ray wavelength')
[bd8411d5]	117	self.xray_source_input_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
	118	self.xray_source_input_ctl.SetValue(str(self.xray_source_input))
[8963a55]	119	neutron_unit_a_txt = wx.StaticText(self, -1, unit_a)
	120
	121	self.xray_cbox = wx.ComboBox(self, -1, size=(70, 20), style=wx.CB_READONLY)
	122	xray_cbox_tip = "Select an element, wavelength or energy"
	123	self.xray_cbox.SetToolTipString(xray_cbox_tip)
	124	wx.EVT_COMBOBOX(self.xray_cbox, -1, self.on_select_xray)
	125
[959eb01]	126	iy = 0
	127	ix = 0
	128	sizer_input.Add(compound_txt, (iy, ix), (1, 1),
	129	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	130	ix += 1
	131	sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1),
	132	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	133	iy += 1
	134	ix = 0
	135	sizer_input.Add(density_txt, (iy, ix), (1, 1),
	136	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	137	ix += 1
	138	sizer_input.Add(self.density_ctl, (iy, ix), (1, 1),
	139	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	140	ix += 1
	141	sizer_input.Add(unit_density_txt, (iy, ix), (1, 1),
	142	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	143	iy += 1
	144	ix = 0
[8963a55]	145	sizer_input.Add(neutron_wavelength_txt, (iy, ix), (1, 1),
[959eb01]	146	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	147	ix += 1
[8963a55]	148	sizer_input.Add(self.neutron_wavelength_ctl, (iy, ix), (1, 1),
[959eb01]	149	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	150	ix += 1
[8963a55]	151	sizer_input.Add(neutron_unit_a_txt, (iy, ix), (1, 1),
	152	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	153	iy += 1
	154	ix = 0
[fe09e9b]	155	sizer_input.Add(self.xray_source_input_txt, (iy, ix), (1, 1),
[8963a55]	156	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	157	ix += 1
[bd8411d5]	158	sizer_input.Add(self.xray_source_input_ctl, (iy, ix), (1, 1),
[8963a55]	159	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	160	ix += 1
	161	sizer_input.Add(self.xray_cbox, (iy, ix), (1, 1),
[959eb01]	162	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	163	boxsizer1.Add(sizer_input)
	164	sizer1.Add(boxsizer1, 0, wx.EXPAND \| wx.ALL, 10)
	165	#---------Outputs sizer--------
	166	outputbox = wx.StaticBox(self, -1, "Output")
	167	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
	168	boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1))
	169
	170	i_complex = '- i'
	171	neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
	172	self.neutron_sld_real_ctl = wx.TextCtrl(self, -1,
	173	size=(_BOX_WIDTH, -1))
	174	self.neutron_sld_real_ctl.SetEditable(False)
[8963a55]	175	self.neutron_sld_real_ctl.SetToolTipString("Neutron SLD real")
[959eb01]	176	self.neutron_sld_im_ctl = wx.TextCtrl(self, -1,
	177	size=(_BOX_WIDTH, -1))
	178	self.neutron_sld_im_ctl.SetEditable(False)
[8963a55]	179	self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary")
[959eb01]	180	neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld)
	181
[8963a55]	182	xray_sld_txt = wx.StaticText(self, -1, 'X-ray SLD')
	183	self.xray_sld_real_ctl = wx.TextCtrl(self, -1,
[959eb01]	184	size=(_BOX_WIDTH, -1))
[8963a55]	185	self.xray_sld_real_ctl.SetEditable(False)
	186	self.xray_sld_real_ctl.SetToolTipString("X-ray SLD real")
	187	self.xray_sld_im_ctl = wx.TextCtrl(self, -1,
[959eb01]	188	size=(_BOX_WIDTH, -1))
[8963a55]	189	self.xray_sld_im_ctl.SetEditable(False)
	190	self.xray_sld_im_ctl.SetToolTipString("X-ray SLD imaginary")
	191	xray_sld_units_txt = wx.StaticText(self, -1, unit_sld)
[959eb01]	192
	193	neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
	194	self.neutron_inc_ctl = wx.TextCtrl(self, -1,
	195	size=(_BOX_WIDTH, -1))
	196	self.neutron_inc_ctl.SetEditable(False)
	197	self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
	198	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
	199
	200	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
	201	self.neutron_abs_ctl = wx.TextCtrl(self, -1,
	202	size=(_BOX_WIDTH, -1))
	203	self.neutron_abs_ctl.SetEditable(False)
	204	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
	205	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
	206
	207	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
	208	self.neutron_length_ctl = wx.TextCtrl(self, -1,
	209	size=(_BOX_WIDTH, -1))
	210	self.neutron_length_ctl.SetEditable(False)
	211	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
	212	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
	213
	214	iy = 0
	215	ix = 0
	216	sizer_output.Add(neutron_sld_txt, (iy, ix), (1, 1),
	217	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	218	ix += 1
	219	sizer_output.Add(self.neutron_sld_real_ctl, (iy, ix), (1, 1),
	220	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	221	ix += 1
	222	sizer_output.Add(wx.StaticText(self, -1, i_complex),
	223	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	224	ix += 1
	225	sizer_output.Add(self.neutron_sld_im_ctl,
	226	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	227	ix += 1
	228	sizer_output.Add(neutron_sld_units_txt,
	229	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	230	iy += 1
	231	ix = 0
[8963a55]	232	sizer_output.Add(xray_sld_txt, (iy, ix), (1, 1),
[959eb01]	233	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	234	ix += 1
[8963a55]	235	sizer_output.Add(self.xray_sld_real_ctl, (iy, ix), (1, 1),
[959eb01]	236	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	237	ix += 1
	238	sizer_output.Add(wx.StaticText(self, -1, i_complex),
	239	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	240	ix += 1
[8963a55]	241	sizer_output.Add(self.xray_sld_im_ctl,
[959eb01]	242	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	243	ix += 1
[8963a55]	244	sizer_output.Add(xray_sld_units_txt,
[959eb01]	245	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	246	iy += 1
	247	ix = 0
	248	sizer_output.Add(neutron_inc_txt, (iy, ix), (1, 1),
	249	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	250	ix += 1
	251	sizer_output.Add(self.neutron_inc_ctl, (iy, ix), (1, 1),
	252	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	253	ix += 2
	254	sizer_output.Add(neutron_inc_units_txt, (iy, ix), (1, 1),
	255	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	256	iy += 1
	257	ix = 0
	258	sizer_output.Add(neutron_abs_txt, (iy, ix), (1, 1),
	259	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	260	ix += 1
	261	sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1, 1),
	262	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	263	ix += 2
	264	sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1, 1),
	265	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	266	iy += 1
	267	ix = 0
	268	sizer_output.Add(neutron_length_txt, (iy, ix), (1, 1),
	269	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	270	ix += 1
	271	sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1, 1),
	272	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	273	ix += 2
	274	sizer_output.Add(neutron_length_units_txt, (iy, ix), (1, 1),
	275	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	276	boxsizer2.Add(sizer_output)
	277	sizer2.Add(boxsizer2, 0, wx.EXPAND \| wx.ALL, 10)
	278	#-----Button sizer------------
	279
	280	id = wx.NewId()
	281	self.button_calculate = wx.Button(self, id, "Calculate")
	282	self.button_calculate.SetToolTipString("Calculate SLD.")
	283	self.Bind(wx.EVT_BUTTON, self.calculateSld, id=id)
	284
	285	id = wx.NewId()
	286	self.button_help = wx.Button(self, id, "HELP")
	287	self.button_help.SetToolTipString("help on SLD calculator.")
	288	self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
	289
	290	self.button_close = wx.Button(self, wx.ID_CANCEL, 'Close')
	291	self.button_close.Bind(wx.EVT_BUTTON, self.on_close)
	292	self.button_close.SetToolTipString("Close this window.")
	293
	294	sizer_button.Add((150, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	295	sizer_button.Add(self.button_calculate, 0, wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
	296	sizer_button.Add(self.button_help, 0, wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
	297	sizer_button.Add(self.button_close, 0, wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
	298	sizer3.Add(sizer_button)
	299	#---------layout----------------
	300	vbox = wx.BoxSizer(wx.VERTICAL)
	301	vbox.Add(sizer1)
	302	vbox.Add(sizer2)
	303	vbox.Add(sizer3)
	304	vbox.Fit(self)
	305	self.SetSizer(vbox)
	306
[8963a55]	307	def fill_xray_cbox(self):
	308	"""
	309	fill the x-ray combobox with the sources
	310	"""
	311	source_list = ['[A]', '[keV]', 'Element']
	312	for source in source_list:
	313	pos = self.xray_cbox.Append(str(source))
	314	self.xray_cbox.SetClientData(pos, str(source.strip()))
	315	self.xray_cbox.SetSelection(0)
[bd8411d5]	316	self.xray_source = source_list[0]
[8963a55]	317
	318	def on_select_xray(self, event=None):
	319	"""
	320	On Selecting a source
	321	"""
	322	item = event.GetEventObject()
	323	self.xray_source = item.GetValue().strip()
	324
[fe09e9b]	325	if self.xray_source == "[A]":
	326	self.xray_source_input_txt.SetLabel("X-ray wavelength")
	327	elif self.xray_source == "[keV]":
	328	self.xray_source_input_txt.SetLabel("X-ray energy")
	329	elif self.xray_source == "Element":
	330	self.xray_source_input_txt.SetLabel("X-ray source")
	331
[959eb01]	332	def on_help(self, event):
	333	"""
	334	Bring up the SLD Documentation whenever
	335	the HELP button is clicked.
	336
	337	Calls DocumentationWindow with the path of the location within the
	338	documentation tree (after /doc/ ....". Note that when using old
	339	versions of Wx (before 2.9) and thus not the release version of
	340	installers, the help comes up at the top level of the file as
	341	webbrowser does not pass anything past the # to the browser when it is
	342	running "file:///...."
	343
	344	:param evt: Triggers on clicking the help button
	345	"""
	346
	347	_TreeLocation = "user/sasgui/perspectives/calculator/"
	348	_TreeLocation += "sld_calculator_help.html"
	349	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
	350	"General Scattering Calculator Help")
	351
	352	def on_close(self, event):
	353	"""
	354	close the window containing this panel
	355	"""
	356	self.parent.Close()
	357
	358	def calculate_xray_sld(self, element):
	359	"""
	360	Get an element and compute the corresponding SLD for a given formula
	361
	362	:param element: elements a string of existing atom
	363
	364	"""
[5251ec6]	365	# TODO: use periodictable.elements object
	366	# energy = xray_energy(periodictable.elements[element].K_alpha)
	367	# TODO: code is very similar to sld helper
[959eb01]	368	myformula = formula(str(element))
	369	if len(myformula.atoms) != 1:
	370	return
[5251ec6]	371	element = list(myformula.atoms.keys())[0]
[959eb01]	372	energy = xray_energy(element.K_alpha)
	373
	374	self.sld_formula = formula(str(self.compound), density=self.density)
	375	atom = self.sld_formula.atoms
	376	return xray_sld_from_atoms(atom, density=self.density, energy=energy)
	377
	378	def check_inputs(self):
	379	"""Check validity user inputs"""
	380	flag = True
	381	msg = ""
	382	if check_float(self.density_ctl):
	383	self.density = float(self.density_ctl.GetValue())
	384	else:
	385	flag = False
	386	msg += "Error for Density value :expect float"
	387
[8963a55]	388	self.neutron_wavelength = self.neutron_wavelength_ctl.GetValue()
[bd8411d5]	389	self.xray_source_input = self.xray_source_input_ctl.GetValue()
[8963a55]	390
	391	if str(self.neutron_wavelength).lstrip().rstrip() == "":
	392	self.neutron_wavelength = WAVELENGTH
	393	self.neutron_wavelength_ctl.SetValue(str(WAVELENGTH))
	394	self.neutron_wavelength_ctl.SetBackgroundColour(wx.WHITE)
	395	self.neutron_wavelength_ctl.Refresh()
	396	msg += "Default value for wavelength is 6.0"
	397	else:
	398	if check_float(self.neutron_wavelength_ctl):
	399	self.neutron_wavelength = float(self.neutron_wavelength)
	400	else:
	401	flag = False
	402	msg += "Error for wavelength value :expect float"
	403
[bd8411d5]	404	if str(self.xray_source_input).lstrip().rstrip() == "":
	405	self.xray_source_input = WAVELENGTH
	406	self.xray_source_input_ctl.SetValue(str(WAVELENGTH))
	407	self.xray_source_input_ctl.SetBackgroundColour(wx.WHITE)
	408	self.xray_source_input_ctl.Refresh()
[959eb01]	409	msg += "Default value for wavelength is 6.0"
	410	else:
[bd8411d5]	411	if (self.xray_source == '[A]') or (self.xray_source == '[keV]'):
	412	if check_float(self.xray_source_input_ctl):
	413	self.xray_source_input = float(self.xray_source_input)
	414	else:
	415	flag = False
	416	msg += "Error for wavelength value :expect float"
	417	elif (self.xray_source == 'Element'):
[5251ec6]	418	# TODO: use periodictable.elements instead of exec() hacks
	419	# if self.xray_source_input not in periodictable.elements:
	420	# ...
[bd8411d5]	421	try:
	422	import periodictable
	423	exec("periodictable." + self.xray_source_input)
	424	except AttributeError:
	425	flag = False
	426	msg += "X-ray element supplied isn't in the database"
	427
	428
[959eb01]	429
	430	self.compound = self.compound_ctl.GetValue().lstrip().rstrip()
	431	if self.compound != "":
	432	try :
	433	formula(self.compound)
	434	self.compound_ctl.SetBackgroundColour(wx.WHITE)
	435	self.compound_ctl.Refresh()
	436	except:
	437	self.compound_ctl.SetBackgroundColour("pink")
	438	self.compound_ctl.Refresh()
	439	flag = False
	440	msg += "Enter correct formula"
	441	else:
	442	self.compound_ctl.SetBackgroundColour("pink")
	443	self.compound_ctl.Refresh()
	444	flag = False
	445	msg += "Enter a formula"
	446	return flag, msg
	447
	448	def calculate_sld_helper(self, element, density, molecule_formula):
	449	"""
	450	Get an element and compute the corresponding SLD for a given formula
	451
	452	:param element: elements a string of existing atom
	453
	454	"""
[5251ec6]	455	# TODO: use periodictable.elements object
	456	# energy = xray_energy(periodictable.elements[element].K_alpha)
[959eb01]	457	element_formula = formula(str(element))
	458	if len(element_formula.atoms) != 1:
	459	return
[5251ec6]	460	element = list(element_formula.atoms.keys())[0]
[959eb01]	461	energy = xray_energy(element.K_alpha)
[5251ec6]	462
[959eb01]	463	atom = molecule_formula.atoms
	464	return xray_sld_from_atoms(atom, density=density, energy=energy)
	465
	466	def calculateSld(self, event):
	467	"""
	468	Calculate the neutron scattering density length of a molecule
	469	"""
	470	self.clear_outputs()
	471	try:
	472	#Check validity user inputs
	473	flag, msg = self.check_inputs()
	474	if self.base is not None and msg.lstrip().rstrip() != "":
	475	msg = "SLD Calculator: %s" % str(msg)
	476	wx.PostEvent(self.base, StatusEvent(status=msg))
	477	if not flag:
	478	return
	479	#get ready to compute
	480	self.sld_formula = formula(self.compound,
	481	density=self.density)
	482	(sld_real, sld_im, _), (_, absorp, incoh), \
	483	length = neutron_scattering(compound=self.compound,
	484	density=self.density,
[8963a55]	485	wavelength=self.neutron_wavelength)
	486	if self.xray_source == "[A]":
[bd8411d5]	487	energy = xray_energy(self.xray_source_input)
	488	xray_real, xray_im = xray_sld_from_atoms(self.sld_formula.atoms,
	489	density=self.density,
	490	energy=energy)
[8963a55]	491	elif self.xray_source == "[keV]":
[bd8411d5]	492	xray_real, xray_im = xray_sld_from_atoms(self.sld_formula.atoms,
	493	density=self.density,
	494	energy=self.xray_source_input)
[8963a55]	495	elif self.xray_source == "Element":
[bd8411d5]	496	xray_real, xray_im = self.calculate_sld_helper(element=self.xray_source_input,
	497	density=self.density,
	498	molecule_formula=self.sld_formula)
[959eb01]	499	# set neutron sld values
	500	val = format_number(sld_real * _SCALE)
	501	self.neutron_sld_real_ctl.SetValue(val)
	502	val = format_number(math.fabs(sld_im) * _SCALE)
	503	self.neutron_sld_im_ctl.SetValue(val)
	504	# Compute the Cu SLD
[8963a55]	505	self.xray_sld_real_ctl.SetValue(format_number(xray_real * _SCALE))
	506	val = format_number(math.fabs(xray_im) * _SCALE)
	507	self.xray_sld_im_ctl.SetValue(val)
[959eb01]	508	# set incoherence and absorption
	509	self.neutron_inc_ctl.SetValue(format_number(incoh))
	510	self.neutron_abs_ctl.SetValue(format_number(absorp))
	511	# Neutron length
	512	self.neutron_length_ctl.SetValue(format_number(length))
	513	# display wavelength
[8963a55]	514	#self.wavelength_ctl.SetValue(str(self.wavelength))
	515	#self.wavelength_ctl.SetValue(str(self.wavelength))
[5251ec6]	516	except Exception as exc:
[959eb01]	517	if self.base is not None:
[5251ec6]	518	msg = "SLD Calculator: %s" % exc
[959eb01]	519	wx.PostEvent(self.base, StatusEvent(status=msg))
	520	if event is not None:
	521	event.Skip()
	522
	523	def clear_outputs(self):
	524	"""
	525	Clear the outputs textctrl
	526	"""
	527	self.neutron_sld_real_ctl.SetValue("")
	528	self.neutron_sld_im_ctl.SetValue("")
[bd8411d5]	529	self.xray_sld_real_ctl.SetValue("")
	530	self.xray_sld_im_ctl.SetValue("")
[959eb01]	531	self.neutron_abs_ctl.SetValue("")
	532	self.neutron_inc_ctl.SetValue("")
	533	self.neutron_length_ctl.SetValue("")
	534
	535
	536	class SldWindow(widget.CHILD_FRAME):
	537	"""
	538	"""
	539	def __init__(self, parent=None, title="SLD Calculator",
	540	base=None, manager=None,
	541	size=(PANEL_SIZE, PANEL_SIZE), args, *kwds):
	542	"""
	543	"""
	544	kwds['title'] = title
	545	kwds['size'] = size
	546	widget.CHILD_FRAME.__init__(self, parent, args, *kwds)
	547	"""
	548	"""
	549	self.parent = parent
	550	self.base = base
	551	self.manager = manager
	552	self.panel = SldPanel(self, base=base)
	553	self.Bind(wx.EVT_CLOSE, self.on_close)
	554	self.SetPosition((wx.LEFT, PANEL_TOP))
	555	self.Show(True)
	556
	557	def on_close(self, event):
	558	"""
	559	On close event
	560	"""
[7432acb]	561	if self.manager is not None:
[959eb01]	562	self.manager.sld_frame = None
	563	self.Destroy()
	564
	565
	566	class ViewApp(wx.App):
	567	"""
	568	"""
	569	def OnInit(self):
	570	"""
	571	"""
	572	widget.CHILD_FRAME = wx.Frame
	573	frame = SldWindow(None, title='SLD Calculator')
	574	frame.Show(True)
	575	self.SetTopWindow(frame)
	576	return True
	577
	578
	579	if __name__ == "__main__":
	580	app = ViewApp(0)
	581	app.MainLoop()

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SasView

source: sasview/src/sas/sasgui/perspectives/calculator/sld_panel.py @ 4688acf

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