sldPanel.py @ 3595bb7f

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 3595bb7f was 6c5239c, checked in by Gervaise Alina <gervyh@…>, 15 years ago
sld calculation description
Property mode set to `100644`
File size: 14.8 KB

Rev	Line
[4faf4ba]	1	"""
[1d67243]	2	This module provide GUI for the neutron scattering length density calculator
[4faf4ba]	3	@author: Gervaise B. Alina
	4	"""
	5
[785c8233]	6	import wx
[4faf4ba]	7	import sys
	8
	9	from sans.guiframe.utils import format_number, check_float
	10	from sans.guicomm.events import StatusEvent
[1d67243]	11	from sldCalculator import SldCalculator
[4faf4ba]	12
[785c8233]	13	_BOX_WIDTH = 76
	14	_STATICBOX_WIDTH = 350
[4faf4ba]	15	_SCALE = 1e-6
[785c8233]	16
	17	class SldPanel(wx.Panel):
[4faf4ba]	18	"""
	19	Provides the SLD calculator GUI.
	20	"""
	21	def __init__(self, parent,base=None, id = -1):
[785c8233]	22	wx.Panel.__init__(self, parent, id = id)
[4faf4ba]	23	# Object that receive status event
	24	self.base= base
[1d67243]	25	self.calculator = SldCalculator()
	26	self.wavelength = self.calculator.wavelength
	27
[785c8233]	28	self._do_layout()
	29	self.SetAutoLayout(True)
	30	self.Layout()
	31
	32
	33	def _do_layout(self):
	34	"""
	35	Draw window content
	36	"""
	37	sizer_input = wx.GridBagSizer(5,5)
	38	sizer_output = wx.GridBagSizer(5,5)
	39	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	40	sizer1 = wx.BoxSizer(wx.HORIZONTAL)
	41	sizer2 = wx.BoxSizer(wx.HORIZONTAL)
	42	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
	43	#---------inputs----------------
	44	inputbox = wx.StaticBox(self, -1, "Input")
	45	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
	46	boxsizer1.SetMinSize((_STATICBOX_WIDTH,-1))
	47
	48	compound_txt = wx.StaticText(self, -1, 'Compound')
	49	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	50	density_txt = wx.StaticText(self, -1, 'Density(g/cm^3)')
	51	self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	52	wavelength_txt = wx.StaticText(self, -1, 'Wavelength (A)')
	53	self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
[1d67243]	54	self.wavelength_ctl.SetValue(str(self.wavelength))
[785c8233]	55	iy = 0
	56	ix = 0
	57	sizer_input.Add(compound_txt,(iy, ix),(1,1),\
	58	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	59	ix +=1
	60	sizer_input.Add(self.compound_ctl,(iy, ix),(1,1),\
	61	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	62	iy += 1
	63	ix = 0
	64	sizer_input.Add(density_txt,(iy, ix),(1,1),\
	65	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	66	ix +=1
	67	sizer_input.Add(self.density_ctl,(iy, ix),(1,1),\
	68	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	69	iy += 1
	70	ix = 0
	71	sizer_input.Add(wavelength_txt,(iy, ix),(1,1),\
	72	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	73	ix +=1
	74	sizer_input.Add(self.wavelength_ctl,(iy, ix),(1,1),\
	75	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	76	boxsizer1.Add( sizer_input )
	77	sizer1.Add(boxsizer1,0, wx.EXPAND \| wx.ALL, 10)
	78	#---------Outputs sizer--------
	79	outputbox = wx.StaticBox(self, -1, "Output")
	80	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
	81	boxsizer2.SetMinSize((_STATICBOX_WIDTH,-1))
	82
	83	unit_a= '[A^(-2)]'
	84	unit_cm1='[cm^(-1)]'
	85	unit_cm='[cm]'
	86	i_complex= '+ i'
	87	neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
	88	self.neutron_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	89	self.neutron_sld_reel_ctl.SetEditable(False)
	90	self.neutron_sld_reel_ctl.SetToolTipString("Neutron SLD reel.")
	91	self.neutron_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	92	self.neutron_sld_im_ctl.SetEditable(False)
	93	self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.")
	94	neutron_sld_units_txt = wx.StaticText(self, -1, unit_a)
	95
	96	cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD')
	97	self.cu_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	98	self.cu_ka_sld_reel_ctl.SetEditable(False)
	99	self.cu_ka_sld_reel_ctl.SetToolTipString("Cu Ka SLD reel.")
	100	self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	101	self.cu_ka_sld_im_ctl.SetEditable(False)
	102	self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.")
	103	cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_a)
	104
	105	mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD')
	106	self.mo_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	107	self.mo_ka_sld_reel_ctl.SetEditable(False)
	108	self.mo_ka_sld_reel_ctl.SetToolTipString("Mo Ka SLD reel.")
	109	self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	110	self.mo_ka_sld_im_ctl.SetEditable(False)
	111	self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD reel.")
	112	mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_a)
	113
	114	neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
	115	self.neutron_inc_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	116	self.neutron_inc_ctl.SetEditable(False)
	117	self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
[4faf4ba]	118	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
[785c8233]	119
	120	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
	121	self.neutron_abs_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	122	self.neutron_abs_ctl.SetEditable(False)
	123	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
[4faf4ba]	124	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
[785c8233]	125
	126	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
	127	self.neutron_length_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	128	self.neutron_length_ctl.SetEditable(False)
	129	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
[4faf4ba]	130	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
[785c8233]	131	iy = 0
	132	ix = 0
	133	sizer_output.Add(neutron_sld_txt,(iy, ix),(1,1),
	134	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	135	ix +=1
	136	sizer_output.Add(self.neutron_sld_reel_ctl,(iy, ix),(1,1),
	137	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	138	ix +=1
	139	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	140	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	141	ix +=1
	142	sizer_output.Add(self.neutron_sld_im_ctl
	143	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	144	ix +=1
	145	sizer_output.Add(neutron_sld_units_txt
	146	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	147	iy += 1
	148	ix = 0
	149	sizer_output.Add(cu_ka_sld_txt,(iy, ix),(1,1),
	150	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	151	ix +=1
	152	sizer_output.Add(self.cu_ka_sld_reel_ctl,(iy, ix),(1,1),
	153	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	154	ix +=1
	155	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	156	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	157	ix +=1
	158	sizer_output.Add(self.cu_ka_sld_im_ctl
	159	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	160	ix +=1
	161	sizer_output.Add(cu_ka_sld_units_txt
	162	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	163	iy += 1
	164	ix = 0
	165	sizer_output.Add(mo_ka_sld_txt,(iy, ix),(1,1),
	166	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	167	ix +=1
	168	sizer_output.Add(self.mo_ka_sld_reel_ctl,(iy, ix),(1,1),
	169	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	170	ix +=1
	171	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	172	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	173	ix +=1
	174	sizer_output.Add(self.mo_ka_sld_im_ctl
	175	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	176	ix +=1
	177	sizer_output.Add(mo_ka_sld_units_txt
	178	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	179	iy += 1
	180	ix = 0
	181	sizer_output.Add(neutron_inc_txt,(iy, ix),(1,1),
	182	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	183	ix +=1
	184	sizer_output.Add(self.neutron_inc_ctl,(iy, ix),(1,1),
	185	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[4faf4ba]	186	ix +=2
	187	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
	188	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	189	iy += 1
	190	ix = 0
	191	sizer_output.Add(neutron_abs_txt,(iy, ix),(1,1),
	192	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	193	ix +=1
	194	sizer_output.Add(self.neutron_abs_ctl,(iy, ix),(1,1),
	195	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[4faf4ba]	196	ix +=2
	197	sizer_output.Add(neutron_abs_units_txt,(iy, ix),(1,1),
	198	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	199	iy += 1
	200	ix = 0
	201	sizer_output.Add(neutron_length_txt,(iy, ix),(1,1),
	202	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	203	ix +=1
	204	sizer_output.Add(self.neutron_length_ctl,(iy, ix),(1,1),
[4faf4ba]	205	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	206	ix +=2
	207	sizer_output.Add(neutron_length_units_txt,(iy, ix),(1,1),
	208	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	209	boxsizer2.Add( sizer_output )
	210	sizer2.Add(boxsizer2,0, wx.EXPAND \| wx.ALL, 10)
	211	#-----Button sizer------------
	212	id = wx.NewId()
[4faf4ba]	213	button_help = wx.Button(self, id, "Help")
	214	button_help.SetToolTipString("Help SlD calculations and formula.")
	215	self.Bind(wx.EVT_BUTTON, self.onHelp, id = id)
	216
	217	id = wx.NewId()
[785c8233]	218	button_calculate = wx.Button(self, id, "Calculate")
	219	button_calculate.SetToolTipString("Calculate SlD of neutrons.")
[4faf4ba]	220	self.Bind(wx.EVT_BUTTON, self.calculateSld, id = id)
	221
	222	sizer_button.Add((200, 20), 1, wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	223	sizer_button.Add(button_help, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,10)
	224	sizer_button.Add(button_calculate, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,20)
[785c8233]	225	sizer3.Add(sizer_button)
	226	#---------layout----------------
	227	vbox = wx.BoxSizer(wx.VERTICAL)
	228	vbox.Add(sizer1)
	229	vbox.Add(sizer2)
	230	vbox.Add(sizer3)
	231	vbox.Fit(self)
	232	self.SetSizer(vbox)
	233
[1d67243]	234
[4faf4ba]	235	def check_inputs(self):
	236	"""Check validity user inputs"""
	237	flag= True
	238
	239	if check_float(self.density_ctl):
	240	self.density = float(self.density_ctl.GetValue())
	241	else:
	242	flag=False
	243	raise ValueError,"Error for Density value :expect float"
	244
	245	self.wavelength= self.wavelength_ctl.GetValue()
	246	if self.wavelength.lstrip().rstrip()=="":
[1d67243]	247	self.wavelength = self.calculator.wavelength
[4faf4ba]	248	else:
	249	if check_float(self.wavelength_ctl):
	250	self.wavelength= float(self.wavelength)
	251	else:
	252	flag = False
	253	raise ValueError,"Error for wavelenth value :expect float"
	254
	255	self.formulata_text= self.compound_ctl.GetValue().lstrip().rstrip()
	256	if self.formulata_text!="":
	257	self.compound_ctl.SetBackgroundColour(wx.WHITE)
	258	self.compound_ctl.Refresh()
	259	else:
	260	self.compound_ctl.SetBackgroundColour("pink")
	261	self.compound_ctl.Refresh()
	262	flag=False
	263	raise ValueError, "Enter a formula"
	264	return flag
	265
[1d67243]	266
[4faf4ba]	267	def onHelp(self, event):
	268	"""
	269	provide more hint on the SLD calculator
	270	"""
	271	from helpPanel import HelpWindow
	272	frame = HelpWindow(None, -1, pageToOpen="doc/sld_calculator_help.html")
	273	frame.Show(True)
	274	name = "SLD_calculator"
	275	if frame.rhelp.HasAnchor(name):
	276	frame.rhelp.ScrollToAnchor(name)
	277	else:
	278	msg= "Cannot find SLD Calculator description "
	279	msg +="Please.Search in the Help window"
	280	wx.PostEvent(self.base, StatusEvent(status = msg ))
	281
	282
	283	def calculateSld(self, event):
	284	"""
	285	Calculate the neutron scattering density length of a molecule
	286	"""
	287	try:
	288	#Check validity user inputs
	289	if self.check_inputs():
	290	#get ready to compute
	291	try:
[1d67243]	292	self.calculator.setValue(self.formulata_text,self.density,self.wavelength)
[4faf4ba]	293	except:
	294	if self.base !=None:
	295	msg= "SLD Calculator: %s" % (sys.exc_value)
	296	wx.PostEvent(self.base, StatusEvent(status= msg ))
	297	else:
	298	raise
	299	return
[1d67243]	300
[4faf4ba]	301	# Compute the Cu SLD
[1d67243]	302	Cu_reel, Cu_im = self.calculator.calculateXRaySld( "Cu")
[4faf4ba]	303	self.cu_ka_sld_reel_ctl.SetValue(format_number(Cu_reel*_SCALE))
	304	self.cu_ka_sld_im_ctl.SetValue(format_number(Cu_im*_SCALE))
[1d67243]	305
[4faf4ba]	306	# Compute the Mo SLD
[1d67243]	307	Mo_reel, Mo_im = self.calculator.calculateXRaySld( "Mo")
[4faf4ba]	308	self.mo_ka_sld_reel_ctl.SetValue(format_number(Mo_reel*_SCALE))
	309	self.mo_ka_sld_im_ctl.SetValue(format_number(Mo_im*_SCALE))
	310
[1d67243]	311	coh,absorp,inc= self.calculator.calculateNSld()
[6c5239c]	312	im = self.calculator.calculateAbsorptionIm()
	313	length = self.calculator.calculateLength()
[1d67243]	314	# Neutron SLD
[4faf4ba]	315	self.neutron_sld_reel_ctl.SetValue(format_number(coh*_SCALE))
	316	self.neutron_sld_im_ctl.SetValue(format_number(im*_SCALE))
	317	self.neutron_inc_ctl.SetValue(format_number(inc ))
	318	self.neutron_abs_ctl.SetValue(format_number(absorp))
[1d67243]	319	# Neutron length
[4faf4ba]	320	self.neutron_length_ctl.SetValue(format_number(length))
[1d67243]	321	# display wavelength
	322	self.wavelength_ctl.SetValue(str(self.wavelength))
[4faf4ba]	323	except:
	324	if self.base !=None:
	325	msg= "SLD Calculator: %s" % (sys.exc_value)
	326	wx.PostEvent(self.base, StatusEvent(status= msg ))
	327	else:
	328	raise
	329	return
	330
[1d67243]	331
[4faf4ba]	332
[1d67243]	333
[4faf4ba]	334
	335
	336
[785c8233]	337
[4faf4ba]	338
[785c8233]	339	class SldWindow(wx.Frame):
[4faf4ba]	340	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
[785c8233]	341	wx.Frame.__init__(self, parent, id, title, size=(400, 400))
	342
[4faf4ba]	343	self.panel = SldPanel(self, base=base)
[785c8233]	344	self.Centre()
	345	self.Show(True)
	346
	347	class ViewApp(wx.App):
	348	def OnInit(self):
	349	frame = SldWindow(None, -1, 'SLD Calculator')
	350	frame.Show(True)
	351	self.SetTopWindow(frame)
	352
	353	return True
	354
	355
	356	if __name__ == "__main__":
	357	app = ViewApp(0)
	358	app.MainLoop()

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source: sasview/sansview/perspectives/fitting/sldPanel.py @ 3595bb7f

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