sld_panel.py @ beb374a

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since beb374a was 90b23e1, checked in by Jae Cho <jhjcho@…>, 15 years ago
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[427fa87]	1	"""
	2	This module provide GUI for the neutron scattering length density calculator
	3	@author: Gervaise B. Alina
	4	"""
	5
	6	import wx
	7	import sys
	8
	9	from sans.guiframe.utils import format_number, check_float
	10	from sans.guicomm.events import StatusEvent
	11	from sans.calculator.sld_calculator import SldCalculator
	12
	13	_BOX_WIDTH = 76
	14	_STATICBOX_WIDTH = 350
	15	_SCALE = 1e-6
	16
	17	#SLD panel size
[39e49a1]	18	if sys.platform.count("win32")>0:
[427fa87]	19	_STATICBOX_WIDTH = 350
	20	PANEL_SIZE = 400
	21	FONT_VARIANT = 0
	22	else:
	23	_STATICBOX_WIDTH = 380
	24	PANEL_SIZE = 430
	25	FONT_VARIANT = 1
	26
	27	class SldPanel(wx.Panel):
	28	"""
	29	Provides the SLD calculator GUI.
	30	"""
	31	## Internal nickname for the window, used by the AUI manager
	32	window_name = "SLD Calculator"
	33	## Name to appear on the window title bar
	34	window_caption = "SLD Calculator"
	35	## Flag to tell the AUI manager to put this panel in the center pane
	36	CENTER_PANE = True
	37	def __init__(self, parent,base=None, id = -1):
	38	wx.Panel.__init__(self, parent, id = id)
	39	#Font size
	40	self.SetWindowVariant(variant=FONT_VARIANT)
	41
	42	# Object that receive status event
[39e49a1]	43	self.base = base
[427fa87]	44	self.calculator = SldCalculator()
	45	self.wavelength = self.calculator.wavelength
	46
	47	self._do_layout()
	48	self.SetAutoLayout(True)
	49	self.Layout()
	50
	51
	52	def _do_layout(self):
	53	"""
	54	Draw window content
	55	"""
	56	unit_a = '[A]'
	57	unit_density = '[g/cm^(3)]'
[39e49a1]	58	unit_sld = '[1/A^(2)]'
	59	unit_cm1 ='[1/cm]'
	60	unit_cm ='[cm]'
[427fa87]	61	sizer_input = wx.GridBagSizer(5,5)
	62	sizer_output = wx.GridBagSizer(5,5)
	63	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	64	sizer1 = wx.BoxSizer(wx.HORIZONTAL)
	65	sizer2 = wx.BoxSizer(wx.HORIZONTAL)
	66	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
	67	#---------inputs----------------
	68	inputbox = wx.StaticBox(self, -1, "Input")
	69	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
	70	boxsizer1.SetMinSize((_STATICBOX_WIDTH,-1))
	71
	72	compound_txt = wx.StaticText(self, -1, 'Compound ')
	73	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	74	density_txt = wx.StaticText(self, -1, 'Density ')
	75	self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	76	unit_density_txt = wx.StaticText(self, -1, unit_density)
	77	wavelength_txt = wx.StaticText(self, -1, 'Wavelength ')
	78	self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	79	self.wavelength_ctl.SetValue(str(self.wavelength))
	80	unit_a_txt = wx.StaticText(self, -1, unit_a)
	81	iy = 0
	82	ix = 0
	83	sizer_input.Add(compound_txt,(iy, ix),(1,1),\
	84	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	85	ix +=1
	86	sizer_input.Add(self.compound_ctl,(iy, ix),(1,1),\
	87	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	88	iy += 1
	89	ix = 0
	90	sizer_input.Add(density_txt,(iy, ix),(1,1),\
	91	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
[39e49a1]	92	ix += 1
	93	sizer_input.Add(self.density_ctl, (iy, ix), (1,1),\
[427fa87]	94	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	95	ix +=1
	96	sizer_input.Add(unit_density_txt,(iy, ix),(1,1),\
	97	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	98	iy += 1
	99	ix = 0
[39e49a1]	100	sizer_input.Add(wavelength_txt, (iy, ix),(1,1),\
[427fa87]	101	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
[39e49a1]	102	ix += 1
[427fa87]	103	sizer_input.Add(self.wavelength_ctl,(iy, ix),(1,1),\
	104	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	105	ix += 1
[427fa87]	106	sizer_input.Add(unit_a_txt,(iy, ix),(1,1),\
	107	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	108	boxsizer1.Add( sizer_input )
	109	sizer1.Add(boxsizer1,0, wx.EXPAND \| wx.ALL, 10)
	110	#---------Outputs sizer--------
	111	outputbox = wx.StaticBox(self, -1, "Output")
	112	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
	113	boxsizer2.SetMinSize((_STATICBOX_WIDTH,-1))
	114
[39e49a1]	115	i_complex = '+ i'
[427fa87]	116	neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
	117	self.neutron_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	118	self.neutron_sld_reel_ctl.SetEditable(False)
[017ec0b7]	119	self.neutron_sld_reel_ctl.SetToolTipString("Neutron SLD real.")
[427fa87]	120	self.neutron_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	121	self.neutron_sld_im_ctl.SetEditable(False)
	122	self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.")
	123	neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld)
	124
	125	cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD')
	126	self.cu_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	127	self.cu_ka_sld_reel_ctl.SetEditable(False)
[017ec0b7]	128	self.cu_ka_sld_reel_ctl.SetToolTipString("Cu Ka SLD real.")
[427fa87]	129	self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	130	self.cu_ka_sld_im_ctl.SetEditable(False)
	131	self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.")
	132	cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
	133
	134	mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD')
	135	self.mo_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	136	self.mo_ka_sld_reel_ctl.SetEditable(False)
[017ec0b7]	137	self.mo_ka_sld_reel_ctl.SetToolTipString("Mo Ka SLD real.")
[427fa87]	138	self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	139	self.mo_ka_sld_im_ctl.SetEditable(False)
[017ec0b7]	140	self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD imaginary.")
[427fa87]	141	mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
	142
	143	neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
	144	self.neutron_inc_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	145	self.neutron_inc_ctl.SetEditable(False)
	146	self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
	147	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
[90b23e1]	148	neutron_inc_txt.Hide()
	149	self.neutron_inc_ctl.Hide()
	150	neutron_inc_units_txt.Hide()
	151	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
[427fa87]	152	self.neutron_abs_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	153	self.neutron_abs_ctl.SetEditable(False)
	154	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
	155	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
[90b23e1]	156	neutron_abs_txt.Hide()
	157	self.neutron_abs_ctl.Hide()
	158	neutron_abs_units_txt.Hide()
[427fa87]	159	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
	160	self.neutron_length_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	161	self.neutron_length_ctl.SetEditable(False)
	162	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
	163	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
[90b23e1]	164	neutron_length_txt.Hide()
	165	self.neutron_length_ctl.Hide()
	166	neutron_length_units_txt.Hide()
[427fa87]	167	iy = 0
	168	ix = 0
	169	sizer_output.Add(neutron_sld_txt,(iy, ix),(1,1),
	170	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
[39e49a1]	171	ix += 1
[427fa87]	172	sizer_output.Add(self.neutron_sld_reel_ctl,(iy, ix),(1,1),
	173	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	174	ix += 1
[427fa87]	175	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	176	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	177	ix +=1
	178	sizer_output.Add(self.neutron_sld_im_ctl
	179	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	180	ix +=1
	181	sizer_output.Add(neutron_sld_units_txt
	182	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	183	iy += 1
	184	ix = 0
	185	sizer_output.Add(cu_ka_sld_txt,(iy, ix),(1,1),
	186	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	187	ix +=1
	188	sizer_output.Add(self.cu_ka_sld_reel_ctl,(iy, ix),(1,1),
	189	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	190	ix +=1
	191	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	192	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	193	ix += 1
[427fa87]	194	sizer_output.Add(self.cu_ka_sld_im_ctl
	195	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	196	ix += 1
[427fa87]	197	sizer_output.Add(cu_ka_sld_units_txt
	198	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	199	iy += 1
	200	ix = 0
	201	sizer_output.Add(mo_ka_sld_txt,(iy, ix),(1,1),
	202	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	203	ix +=1
	204	sizer_output.Add(self.mo_ka_sld_reel_ctl,(iy, ix),(1,1),
	205	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	206	ix +=1
	207	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	208	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	209	ix += 1
[427fa87]	210	sizer_output.Add(self.mo_ka_sld_im_ctl
	211	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	212	ix +=1
	213	sizer_output.Add(mo_ka_sld_units_txt
	214	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	215	iy += 1
	216	ix = 0
	217	sizer_output.Add(neutron_inc_txt,(iy, ix),(1,1),
	218	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
[39e49a1]	219	ix += 1
[427fa87]	220	sizer_output.Add(self.neutron_inc_ctl,(iy, ix),(1,1),
	221	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	222	ix += 2
[427fa87]	223	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
	224	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	225	iy += 1
	226	ix = 0
[39e49a1]	227	sizer_output.Add(neutron_abs_txt, (iy, ix), (1,1),
[427fa87]	228	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
[39e49a1]	229	ix += 1
	230	sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1,1),
[427fa87]	231	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	232	ix +=2
[39e49a1]	233	sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1,1),
[427fa87]	234	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	235	iy += 1
	236	ix = 0
[39e49a1]	237	sizer_output.Add(neutron_length_txt, (iy, ix), (1,1),
[427fa87]	238	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	239	ix +=1
[39e49a1]	240	sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1,1),
[427fa87]	241	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[39e49a1]	242	ix += 2
	243	sizer_output.Add(neutron_length_units_txt, (iy, ix), (1,1),
[427fa87]	244	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	245	boxsizer2.Add( sizer_output )
[39e49a1]	246	sizer2.Add(boxsizer2,0, wx.EXPAND\|wx.ALL, 10)
[427fa87]	247	#-----Button sizer------------
	248
	249	id = wx.NewId()
	250	button_calculate = wx.Button(self, id, "Calculate")
[017ec0b7]	251	button_calculate.SetToolTipString("Calculate SLD.")
[427fa87]	252	self.Bind(wx.EVT_BUTTON, self.calculateSld, id = id)
	253
	254	sizer_button.Add((250, 20), 1, wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	255	sizer_button.Add(button_calculate, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,20)
	256	sizer3.Add(sizer_button)
	257	#---------layout----------------
	258	vbox = wx.BoxSizer(wx.VERTICAL)
	259	vbox.Add(sizer1)
	260	vbox.Add(sizer2)
	261	vbox.Add(sizer3)
	262	vbox.Fit(self)
	263	self.SetSizer(vbox)
	264
	265
	266	def check_inputs(self):
	267	"""Check validity user inputs"""
[39e49a1]	268	flag = True
[427fa87]	269
	270	if check_float(self.density_ctl):
	271	self.density = float(self.density_ctl.GetValue())
	272	else:
[39e49a1]	273	flag = False
[427fa87]	274	raise ValueError,"Error for Density value :expect float"
	275
[39e49a1]	276	self.wavelength = self.wavelength_ctl.GetValue()
	277	if self.wavelength.lstrip().rstrip() == "":
[427fa87]	278	self.wavelength = self.calculator.wavelength
	279	else:
	280	if check_float(self.wavelength_ctl):
[39e49a1]	281	self.wavelength = float(self.wavelength)
[427fa87]	282	else:
	283	flag = False
	284	raise ValueError,"Error for wavelenth value :expect float"
	285
[39e49a1]	286	self.formulata_text = self.compound_ctl.GetValue().lstrip().rstrip()
	287	if self.formulata_text != "":
[427fa87]	288	self.compound_ctl.SetBackgroundColour(wx.WHITE)
	289	self.compound_ctl.Refresh()
	290	else:
	291	self.compound_ctl.SetBackgroundColour("pink")
	292	self.compound_ctl.Refresh()
[39e49a1]	293	flag = False
[427fa87]	294	raise ValueError, "Enter a formula"
	295	return flag
	296
	297	def calculateSld(self, event):
	298	"""
	299	Calculate the neutron scattering density length of a molecule
	300	"""
	301	try:
	302	#Check validity user inputs
	303	if self.check_inputs():
	304	#get ready to compute
	305	try:
[39e49a1]	306	self.calculator.set_value(self.formulata_text,
	307	self.density, self.wavelength)
[427fa87]	308	except:
[39e49a1]	309	if self.base is not None:
	310	msg = "SLD Calculator: %s" %(sys.exc_value)
	311	wx.PostEvent(self.base, StatusEvent(status=msg))
[427fa87]	312	else:
	313	raise
	314	return
	315
	316	# Compute the Cu SLD
[39e49a1]	317	Cu_reel, Cu_im = self.calculator.calculate_xray_sld( "Cu")
	318	self.cu_ka_sld_reel_ctl.SetValue(format_number(Cu_reel *_SCALE))
	319	self.cu_ka_sld_im_ctl.SetValue(format_number(Cu_im * _SCALE))
[427fa87]	320
	321	# Compute the Mo SLD
[39e49a1]	322	Mo_reel, Mo_im = self.calculator.calculate_xray_sld( "Mo")
	323	self.mo_ka_sld_reel_ctl.SetValue(format_number(Mo_reel *_SCALE))
	324	self.mo_ka_sld_im_ctl.SetValue(format_number(Mo_im * _SCALE))
[427fa87]	325
[39e49a1]	326	coh,absorp,inc = self.calculator.calculate_neutron_sld()
	327	im = self.calculator.calculate_coherence_im()
	328	length = self.calculator.calculate_length()
[427fa87]	329	# Neutron SLD
[39e49a1]	330	self.neutron_sld_reel_ctl.SetValue(format_number(coh * _SCALE))
	331	self.neutron_sld_im_ctl.SetValue(format_number(im * _SCALE))
	332	self.neutron_inc_ctl.SetValue(format_number(inc))
[427fa87]	333	self.neutron_abs_ctl.SetValue(format_number(absorp))
	334	# Neutron length
	335	self.neutron_length_ctl.SetValue(format_number(length))
	336	# display wavelength
	337	self.wavelength_ctl.SetValue(str(self.wavelength))
	338	except:
[39e49a1]	339	if self.base is not None:
	340	msg = "SLD Calculator: %s"%(sys.exc_value)
	341	wx.PostEvent(self.base, StatusEvent(status=msg))
[427fa87]	342	else:
	343	raise
	344	return
	345
	346
	347
	348
	349
	350
	351
	352
	353
	354	class SldWindow(wx.Frame):
	355	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
	356	wx.Frame.__init__(self, parent, id, title, size=( PANEL_SIZE, PANEL_SIZE))
	357
	358	self.panel = SldPanel(self, base=base)
	359	self.Centre()
	360	self.Show(True)
	361
	362	class ViewApp(wx.App):
	363	def OnInit(self):
	364	frame = SldWindow(None, -1, 'SLD Calculator')
	365	frame.Show(True)
	366	self.SetTopWindow(frame)
	367
	368	return True
	369
	370
	371	if __name__ == "__main__":
	372	app = ViewApp(0)
	373	app.MainLoop()

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source: sasview/calculatorview/perspectives/calculator/sld_panel.py @ beb374a

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