sldPanel.py @ 3bb37ef

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 3bb37ef was f1aa385, checked in by Jae Cho <jhjcho@…>, 15 years ago
mac font sized changed for these panels: note:)textctrl still to go.
Property mode set to `100644`
File size: 15.5 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
[c99a6c5]	17	#SLD panel size
	18	if sys.platform.count("win32")>0:
	19	_STATICBOX_WIDTH = 350
	20	PANEL_SIZE = 400
[f1aa385]	21	FONT_VARIANT = 0
[c99a6c5]	22	else:
	23	_STATICBOX_WIDTH = 380
	24	PANEL_SIZE = 430
[f1aa385]	25	FONT_VARIANT = 1
	26
[785c8233]	27	class SldPanel(wx.Panel):
[4faf4ba]	28	"""
	29	Provides the SLD calculator GUI.
	30	"""
	31	def __init__(self, parent,base=None, id = -1):
[785c8233]	32	wx.Panel.__init__(self, parent, id = id)
[f1aa385]	33	#Font size
	34	self.SetWindowVariant(variant=FONT_VARIANT)
	35
[4faf4ba]	36	# Object that receive status event
	37	self.base= base
[1d67243]	38	self.calculator = SldCalculator()
	39	self.wavelength = self.calculator.wavelength
	40
[785c8233]	41	self._do_layout()
	42	self.SetAutoLayout(True)
	43	self.Layout()
	44
	45
	46	def _do_layout(self):
	47	"""
	48	Draw window content
	49	"""
[c99a6c5]	50	unit_a = '[A]'
	51	unit_density = '[g/cm^(3)]'
	52	unit_sld= '[1/A^(2)]'
	53	unit_cm1='[1/cm]'
	54	unit_cm='[cm]'
[785c8233]	55	sizer_input = wx.GridBagSizer(5,5)
	56	sizer_output = wx.GridBagSizer(5,5)
	57	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	58	sizer1 = wx.BoxSizer(wx.HORIZONTAL)
	59	sizer2 = wx.BoxSizer(wx.HORIZONTAL)
	60	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
	61	#---------inputs----------------
	62	inputbox = wx.StaticBox(self, -1, "Input")
	63	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
	64	boxsizer1.SetMinSize((_STATICBOX_WIDTH,-1))
	65
[c99a6c5]	66	compound_txt = wx.StaticText(self, -1, 'Compound ')
[785c8233]	67	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
[c99a6c5]	68	density_txt = wx.StaticText(self, -1, 'Density ')
[785c8233]	69	self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
[c99a6c5]	70	unit_density_txt = wx.StaticText(self, -1, unit_density)
	71	wavelength_txt = wx.StaticText(self, -1, 'Wavelength ')
[785c8233]	72	self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
[1d67243]	73	self.wavelength_ctl.SetValue(str(self.wavelength))
[c99a6c5]	74	unit_a_txt = wx.StaticText(self, -1, unit_a)
[785c8233]	75	iy = 0
	76	ix = 0
	77	sizer_input.Add(compound_txt,(iy, ix),(1,1),\
	78	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	79	ix +=1
	80	sizer_input.Add(self.compound_ctl,(iy, ix),(1,1),\
	81	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	82	iy += 1
	83	ix = 0
	84	sizer_input.Add(density_txt,(iy, ix),(1,1),\
	85	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	86	ix +=1
	87	sizer_input.Add(self.density_ctl,(iy, ix),(1,1),\
	88	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[c99a6c5]	89	ix +=1
	90	sizer_input.Add(unit_density_txt,(iy, ix),(1,1),\
	91	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	92	iy += 1
	93	ix = 0
	94	sizer_input.Add(wavelength_txt,(iy, ix),(1,1),\
	95	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	96	ix +=1
	97	sizer_input.Add(self.wavelength_ctl,(iy, ix),(1,1),\
	98	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[c99a6c5]	99	ix +=1
	100	sizer_input.Add(unit_a_txt,(iy, ix),(1,1),\
	101	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	102	boxsizer1.Add( sizer_input )
	103	sizer1.Add(boxsizer1,0, wx.EXPAND \| wx.ALL, 10)
	104	#---------Outputs sizer--------
	105	outputbox = wx.StaticBox(self, -1, "Output")
	106	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
	107	boxsizer2.SetMinSize((_STATICBOX_WIDTH,-1))
	108
	109	i_complex= '+ i'
	110	neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
	111	self.neutron_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	112	self.neutron_sld_reel_ctl.SetEditable(False)
	113	self.neutron_sld_reel_ctl.SetToolTipString("Neutron SLD reel.")
	114	self.neutron_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	115	self.neutron_sld_im_ctl.SetEditable(False)
	116	self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.")
[c99a6c5]	117	neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld)
[785c8233]	118
	119	cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD')
	120	self.cu_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	121	self.cu_ka_sld_reel_ctl.SetEditable(False)
	122	self.cu_ka_sld_reel_ctl.SetToolTipString("Cu Ka SLD reel.")
	123	self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	124	self.cu_ka_sld_im_ctl.SetEditable(False)
	125	self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.")
[c99a6c5]	126	cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
[785c8233]	127
	128	mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD')
	129	self.mo_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	130	self.mo_ka_sld_reel_ctl.SetEditable(False)
	131	self.mo_ka_sld_reel_ctl.SetToolTipString("Mo Ka SLD reel.")
	132	self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	133	self.mo_ka_sld_im_ctl.SetEditable(False)
	134	self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD reel.")
[c99a6c5]	135	mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
[785c8233]	136
	137	neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
	138	self.neutron_inc_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	139	self.neutron_inc_ctl.SetEditable(False)
	140	self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
[4faf4ba]	141	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
[785c8233]	142
	143	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
	144	self.neutron_abs_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	145	self.neutron_abs_ctl.SetEditable(False)
	146	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
[4faf4ba]	147	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
[785c8233]	148
	149	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
	150	self.neutron_length_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
	151	self.neutron_length_ctl.SetEditable(False)
	152	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
[4faf4ba]	153	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
[785c8233]	154	iy = 0
	155	ix = 0
	156	sizer_output.Add(neutron_sld_txt,(iy, ix),(1,1),
	157	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	158	ix +=1
	159	sizer_output.Add(self.neutron_sld_reel_ctl,(iy, ix),(1,1),
	160	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	161	ix +=1
	162	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	163	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	164	ix +=1
	165	sizer_output.Add(self.neutron_sld_im_ctl
	166	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	167	ix +=1
	168	sizer_output.Add(neutron_sld_units_txt
	169	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	170	iy += 1
	171	ix = 0
	172	sizer_output.Add(cu_ka_sld_txt,(iy, ix),(1,1),
	173	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	174	ix +=1
	175	sizer_output.Add(self.cu_ka_sld_reel_ctl,(iy, ix),(1,1),
	176	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	177	ix +=1
	178	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	179	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	180	ix +=1
	181	sizer_output.Add(self.cu_ka_sld_im_ctl
	182	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	183	ix +=1
	184	sizer_output.Add(cu_ka_sld_units_txt
	185	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	186	iy += 1
	187	ix = 0
	188	sizer_output.Add(mo_ka_sld_txt,(iy, ix),(1,1),
	189	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	190	ix +=1
	191	sizer_output.Add(self.mo_ka_sld_reel_ctl,(iy, ix),(1,1),
	192	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	193	ix +=1
	194	sizer_output.Add(wx.StaticText(self, -1, i_complex)
	195	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	196	ix +=1
	197	sizer_output.Add(self.mo_ka_sld_im_ctl
	198	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	199	ix +=1
	200	sizer_output.Add(mo_ka_sld_units_txt
	201	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	202	iy += 1
	203	ix = 0
	204	sizer_output.Add(neutron_inc_txt,(iy, ix),(1,1),
	205	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	206	ix +=1
	207	sizer_output.Add(self.neutron_inc_ctl,(iy, ix),(1,1),
	208	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[4faf4ba]	209	ix +=2
	210	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
	211	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	212	iy += 1
	213	ix = 0
	214	sizer_output.Add(neutron_abs_txt,(iy, ix),(1,1),
	215	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	216	ix +=1
	217	sizer_output.Add(self.neutron_abs_ctl,(iy, ix),(1,1),
	218	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[4faf4ba]	219	ix +=2
	220	sizer_output.Add(neutron_abs_units_txt,(iy, ix),(1,1),
	221	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	222	iy += 1
	223	ix = 0
	224	sizer_output.Add(neutron_length_txt,(iy, ix),(1,1),
	225	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
	226	ix +=1
	227	sizer_output.Add(self.neutron_length_ctl,(iy, ix),(1,1),
[4faf4ba]	228	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	229	ix +=2
	230	sizer_output.Add(neutron_length_units_txt,(iy, ix),(1,1),
	231	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
[785c8233]	232	boxsizer2.Add( sizer_output )
	233	sizer2.Add(boxsizer2,0, wx.EXPAND \| wx.ALL, 10)
	234	#-----Button sizer------------
	235	id = wx.NewId()
[4faf4ba]	236	button_help = wx.Button(self, id, "Help")
	237	button_help.SetToolTipString("Help SlD calculations and formula.")
	238	self.Bind(wx.EVT_BUTTON, self.onHelp, id = id)
	239
	240	id = wx.NewId()
[785c8233]	241	button_calculate = wx.Button(self, id, "Calculate")
	242	button_calculate.SetToolTipString("Calculate SlD of neutrons.")
[4faf4ba]	243	self.Bind(wx.EVT_BUTTON, self.calculateSld, id = id)
	244
	245	sizer_button.Add((200, 20), 1, wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
	246	sizer_button.Add(button_help, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,10)
	247	sizer_button.Add(button_calculate, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,20)
[785c8233]	248	sizer3.Add(sizer_button)
	249	#---------layout----------------
	250	vbox = wx.BoxSizer(wx.VERTICAL)
	251	vbox.Add(sizer1)
	252	vbox.Add(sizer2)
	253	vbox.Add(sizer3)
	254	vbox.Fit(self)
	255	self.SetSizer(vbox)
	256
[1d67243]	257
[4faf4ba]	258	def check_inputs(self):
	259	"""Check validity user inputs"""
	260	flag= True
	261
	262	if check_float(self.density_ctl):
	263	self.density = float(self.density_ctl.GetValue())
	264	else:
	265	flag=False
	266	raise ValueError,"Error for Density value :expect float"
	267
	268	self.wavelength= self.wavelength_ctl.GetValue()
	269	if self.wavelength.lstrip().rstrip()=="":
[1d67243]	270	self.wavelength = self.calculator.wavelength
[4faf4ba]	271	else:
	272	if check_float(self.wavelength_ctl):
	273	self.wavelength= float(self.wavelength)
	274	else:
	275	flag = False
	276	raise ValueError,"Error for wavelenth value :expect float"
	277
	278	self.formulata_text= self.compound_ctl.GetValue().lstrip().rstrip()
	279	if self.formulata_text!="":
	280	self.compound_ctl.SetBackgroundColour(wx.WHITE)
	281	self.compound_ctl.Refresh()
	282	else:
	283	self.compound_ctl.SetBackgroundColour("pink")
	284	self.compound_ctl.Refresh()
	285	flag=False
	286	raise ValueError, "Enter a formula"
	287	return flag
	288
[1d67243]	289
[4faf4ba]	290	def onHelp(self, event):
	291	"""
	292	provide more hint on the SLD calculator
	293	"""
	294	from helpPanel import HelpWindow
	295	frame = HelpWindow(None, -1, pageToOpen="doc/sld_calculator_help.html")
	296	frame.Show(True)
	297	name = "SLD_calculator"
	298	if frame.rhelp.HasAnchor(name):
	299	frame.rhelp.ScrollToAnchor(name)
	300	else:
	301	msg= "Cannot find SLD Calculator description "
	302	msg +="Please.Search in the Help window"
	303	wx.PostEvent(self.base, StatusEvent(status = msg ))
	304
	305
	306	def calculateSld(self, event):
	307	"""
	308	Calculate the neutron scattering density length of a molecule
	309	"""
	310	try:
	311	#Check validity user inputs
	312	if self.check_inputs():
	313	#get ready to compute
	314	try:
[1d67243]	315	self.calculator.setValue(self.formulata_text,self.density,self.wavelength)
[4faf4ba]	316	except:
	317	if self.base !=None:
	318	msg= "SLD Calculator: %s" % (sys.exc_value)
	319	wx.PostEvent(self.base, StatusEvent(status= msg ))
	320	else:
	321	raise
	322	return
[1d67243]	323
[4faf4ba]	324	# Compute the Cu SLD
[1d67243]	325	Cu_reel, Cu_im = self.calculator.calculateXRaySld( "Cu")
[4faf4ba]	326	self.cu_ka_sld_reel_ctl.SetValue(format_number(Cu_reel*_SCALE))
	327	self.cu_ka_sld_im_ctl.SetValue(format_number(Cu_im*_SCALE))
[1d67243]	328
[4faf4ba]	329	# Compute the Mo SLD
[1d67243]	330	Mo_reel, Mo_im = self.calculator.calculateXRaySld( "Mo")
[4faf4ba]	331	self.mo_ka_sld_reel_ctl.SetValue(format_number(Mo_reel*_SCALE))
	332	self.mo_ka_sld_im_ctl.SetValue(format_number(Mo_im*_SCALE))
	333
[1d67243]	334	coh,absorp,inc= self.calculator.calculateNSld()
[6c5239c]	335	im = self.calculator.calculateAbsorptionIm()
	336	length = self.calculator.calculateLength()
[1d67243]	337	# Neutron SLD
[4faf4ba]	338	self.neutron_sld_reel_ctl.SetValue(format_number(coh*_SCALE))
	339	self.neutron_sld_im_ctl.SetValue(format_number(im*_SCALE))
	340	self.neutron_inc_ctl.SetValue(format_number(inc ))
	341	self.neutron_abs_ctl.SetValue(format_number(absorp))
[1d67243]	342	# Neutron length
[4faf4ba]	343	self.neutron_length_ctl.SetValue(format_number(length))
[1d67243]	344	# display wavelength
	345	self.wavelength_ctl.SetValue(str(self.wavelength))
[4faf4ba]	346	except:
	347	if self.base !=None:
	348	msg= "SLD Calculator: %s" % (sys.exc_value)
	349	wx.PostEvent(self.base, StatusEvent(status= msg ))
	350	else:
	351	raise
	352	return
	353
[1d67243]	354
[4faf4ba]	355
[1d67243]	356
[4faf4ba]	357
	358
	359
[785c8233]	360
[4faf4ba]	361
[785c8233]	362	class SldWindow(wx.Frame):
[4faf4ba]	363	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
[c99a6c5]	364	wx.Frame.__init__(self, parent, id, title, size=( PANEL_SIZE, PANEL_SIZE))
[785c8233]	365
[4faf4ba]	366	self.panel = SldPanel(self, base=base)
[785c8233]	367	self.Centre()
	368	self.Show(True)
	369
	370	class ViewApp(wx.App):
	371	def OnInit(self):
	372	frame = SldWindow(None, -1, 'SLD Calculator')
	373	frame.Show(True)
	374	self.SetTopWindow(frame)
	375
	376	return True
	377
	378
	379	if __name__ == "__main__":
	380	app = ViewApp(0)
	381	app.MainLoop()

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SasView

source: sasview/sansview/perspectives/fitting/sldPanel.py @ 3bb37ef

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