sld_panel.py @ 78312f7

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalcmagnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 78312f7 was 2d220dd, checked in by Tim Snow <tim.snow@…>, 8 years ago
Merge branch 'master' into sld-calculator-mod
Property mode set to `100644`
File size: 22.7 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	"""
	365	myformula = formula(str(element))
	366	if len(myformula.atoms) != 1:
	367	return
	368	element = myformula.atoms.keys()[0]
	369	energy = xray_energy(element.K_alpha)
	370
	371	self.sld_formula = formula(str(self.compound), density=self.density)
	372	atom = self.sld_formula.atoms
	373	return xray_sld_from_atoms(atom, density=self.density, energy=energy)
	374
	375	def check_inputs(self):
	376	"""Check validity user inputs"""
	377	flag = True
	378	msg = ""
	379	if check_float(self.density_ctl):
	380	self.density = float(self.density_ctl.GetValue())
	381	else:
	382	flag = False
	383	msg += "Error for Density value :expect float"
	384
[8963a55]	385	self.neutron_wavelength = self.neutron_wavelength_ctl.GetValue()
[bd8411d5]	386	self.xray_source_input = self.xray_source_input_ctl.GetValue()
[8963a55]	387
	388	if str(self.neutron_wavelength).lstrip().rstrip() == "":
	389	self.neutron_wavelength = WAVELENGTH
	390	self.neutron_wavelength_ctl.SetValue(str(WAVELENGTH))
	391	self.neutron_wavelength_ctl.SetBackgroundColour(wx.WHITE)
	392	self.neutron_wavelength_ctl.Refresh()
	393	msg += "Default value for wavelength is 6.0"
	394	else:
	395	if check_float(self.neutron_wavelength_ctl):
	396	self.neutron_wavelength = float(self.neutron_wavelength)
	397	else:
	398	flag = False
	399	msg += "Error for wavelength value :expect float"
	400
[bd8411d5]	401	if str(self.xray_source_input).lstrip().rstrip() == "":
	402	self.xray_source_input = WAVELENGTH
	403	self.xray_source_input_ctl.SetValue(str(WAVELENGTH))
	404	self.xray_source_input_ctl.SetBackgroundColour(wx.WHITE)
	405	self.xray_source_input_ctl.Refresh()
[959eb01]	406	msg += "Default value for wavelength is 6.0"
	407	else:
[bd8411d5]	408	if (self.xray_source == '[A]') or (self.xray_source == '[keV]'):
	409	if check_float(self.xray_source_input_ctl):
	410	self.xray_source_input = float(self.xray_source_input)
	411	else:
	412	flag = False
	413	msg += "Error for wavelength value :expect float"
	414	elif (self.xray_source == 'Element'):
	415	try:
	416	import periodictable
	417	exec("periodictable." + self.xray_source_input)
	418	except AttributeError:
	419	flag = False
	420	msg += "X-ray element supplied isn't in the database"
	421
	422
[959eb01]	423
	424	self.compound = self.compound_ctl.GetValue().lstrip().rstrip()
	425	if self.compound != "":
	426	try :
	427	formula(self.compound)
	428	self.compound_ctl.SetBackgroundColour(wx.WHITE)
	429	self.compound_ctl.Refresh()
	430	except:
	431	self.compound_ctl.SetBackgroundColour("pink")
	432	self.compound_ctl.Refresh()
	433	flag = False
	434	msg += "Enter correct formula"
	435	else:
	436	self.compound_ctl.SetBackgroundColour("pink")
	437	self.compound_ctl.Refresh()
	438	flag = False
	439	msg += "Enter a formula"
	440	return flag, msg
	441
	442	def calculate_sld_helper(self, element, density, molecule_formula):
	443	"""
	444	Get an element and compute the corresponding SLD for a given formula
	445
	446	:param element: elements a string of existing atom
	447
	448	"""
	449	element_formula = formula(str(element))
	450	if len(element_formula.atoms) != 1:
	451	return
	452	element = element_formula.atoms.keys()[0]
	453	energy = xray_energy(element.K_alpha)
	454	atom = molecule_formula.atoms
	455	return xray_sld_from_atoms(atom, density=density, energy=energy)
	456
	457	def calculateSld(self, event):
	458	"""
	459	Calculate the neutron scattering density length of a molecule
	460	"""
	461	self.clear_outputs()
	462	try:
	463	#Check validity user inputs
	464	flag, msg = self.check_inputs()
	465	if self.base is not None and msg.lstrip().rstrip() != "":
	466	msg = "SLD Calculator: %s" % str(msg)
	467	wx.PostEvent(self.base, StatusEvent(status=msg))
	468	if not flag:
	469	return
	470	#get ready to compute
	471	self.sld_formula = formula(self.compound,
	472	density=self.density)
	473	(sld_real, sld_im, _), (_, absorp, incoh), \
	474	length = neutron_scattering(compound=self.compound,
	475	density=self.density,
[8963a55]	476	wavelength=self.neutron_wavelength)
	477	if self.xray_source == "[A]":
[bd8411d5]	478	energy = xray_energy(self.xray_source_input)
	479	xray_real, xray_im = xray_sld_from_atoms(self.sld_formula.atoms,
	480	density=self.density,
	481	energy=energy)
[8963a55]	482	elif self.xray_source == "[keV]":
[bd8411d5]	483	xray_real, xray_im = xray_sld_from_atoms(self.sld_formula.atoms,
	484	density=self.density,
	485	energy=self.xray_source_input)
[8963a55]	486	elif self.xray_source == "Element":
[bd8411d5]	487	xray_real, xray_im = self.calculate_sld_helper(element=self.xray_source_input,
	488	density=self.density,
	489	molecule_formula=self.sld_formula)
[959eb01]	490	# set neutron sld values
	491	val = format_number(sld_real * _SCALE)
	492	self.neutron_sld_real_ctl.SetValue(val)
	493	val = format_number(math.fabs(sld_im) * _SCALE)
	494	self.neutron_sld_im_ctl.SetValue(val)
	495	# Compute the Cu SLD
[8963a55]	496	self.xray_sld_real_ctl.SetValue(format_number(xray_real * _SCALE))
	497	val = format_number(math.fabs(xray_im) * _SCALE)
	498	self.xray_sld_im_ctl.SetValue(val)
[959eb01]	499	# set incoherence and absorption
	500	self.neutron_inc_ctl.SetValue(format_number(incoh))
	501	self.neutron_abs_ctl.SetValue(format_number(absorp))
	502	# Neutron length
	503	self.neutron_length_ctl.SetValue(format_number(length))
	504	# display wavelength
[8963a55]	505	#self.wavelength_ctl.SetValue(str(self.wavelength))
	506	#self.wavelength_ctl.SetValue(str(self.wavelength))
[959eb01]	507	except:
	508	if self.base is not None:
	509	msg = "SLD Calculator: %s" % (sys.exc_value)
	510	wx.PostEvent(self.base, StatusEvent(status=msg))
	511	if event is not None:
	512	event.Skip()
	513
	514	def clear_outputs(self):
	515	"""
	516	Clear the outputs textctrl
	517	"""
	518	self.neutron_sld_real_ctl.SetValue("")
	519	self.neutron_sld_im_ctl.SetValue("")
[bd8411d5]	520	self.xray_sld_real_ctl.SetValue("")
	521	self.xray_sld_im_ctl.SetValue("")
[959eb01]	522	self.neutron_abs_ctl.SetValue("")
	523	self.neutron_inc_ctl.SetValue("")
	524	self.neutron_length_ctl.SetValue("")
	525
	526
	527	class SldWindow(widget.CHILD_FRAME):
	528	"""
	529	"""
	530	def __init__(self, parent=None, title="SLD Calculator",
	531	base=None, manager=None,
	532	size=(PANEL_SIZE, PANEL_SIZE), args, *kwds):
	533	"""
	534	"""
	535	kwds['title'] = title
	536	kwds['size'] = size
	537	widget.CHILD_FRAME.__init__(self, parent, args, *kwds)
	538	"""
	539	"""
	540	self.parent = parent
	541	self.base = base
	542	self.manager = manager
	543	self.panel = SldPanel(self, base=base)
	544	self.Bind(wx.EVT_CLOSE, self.on_close)
	545	self.SetPosition((wx.LEFT, PANEL_TOP))
	546	self.Show(True)
	547
	548	def on_close(self, event):
	549	"""
	550	On close event
	551	"""
[7432acb]	552	if self.manager is not None:
[959eb01]	553	self.manager.sld_frame = None
	554	self.Destroy()
	555
	556
	557	class ViewApp(wx.App):
	558	"""
	559	"""
	560	def OnInit(self):
	561	"""
	562	"""
	563	widget.CHILD_FRAME = wx.Frame
	564	frame = SldWindow(None, title='SLD Calculator')
	565	frame.Show(True)
	566	self.SetTopWindow(frame)
	567	return True
	568
	569
	570	if __name__ == "__main__":
	571	app = ViewApp(0)
	572	app.MainLoop()

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SasView

source: sasview/src/sas/sasgui/perspectives/calculator/sld_panel.py @ 78312f7

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