sldPanel.py @ cf76ca74

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 cf76ca74 was 6c5239c, checked in by Gervaise Alina <gervyh@…>, 15 years ago
sld calculation description
Property mode set to `100644`
File size: 14.8 KB

Line
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 sldCalculator import SldCalculator
12
13	_BOX_WIDTH = 76
14	_STATICBOX_WIDTH = 350
15	_SCALE = 1e-6
16
17	class SldPanel(wx.Panel):
18	"""
19	Provides the SLD calculator GUI.
20	"""
21	def __init__(self, parent,base=None, id = -1):
22	wx.Panel.__init__(self, parent, id = id)
23	# Object that receive status event
24	self.base= base
25	self.calculator = SldCalculator()
26	self.wavelength = self.calculator.wavelength
27
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))
54	self.wavelength_ctl.SetValue(str(self.wavelength))
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")
118	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
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")
124	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
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")
130	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
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)
186	ix +=2
187	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
188	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
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)
196	ix +=2
197	sizer_output.Add(neutron_abs_units_txt,(iy, ix),(1,1),
198	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
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),
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)
209	boxsizer2.Add( sizer_output )
210	sizer2.Add(boxsizer2,0, wx.EXPAND \| wx.ALL, 10)
211	#-----Button sizer------------
212	id = wx.NewId()
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()
218	button_calculate = wx.Button(self, id, "Calculate")
219	button_calculate.SetToolTipString("Calculate SlD of neutrons.")
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)
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
234
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()=="":
247	self.wavelength = self.calculator.wavelength
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
266
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:
292	self.calculator.setValue(self.formulata_text,self.density,self.wavelength)
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
300
301	# Compute the Cu SLD
302	Cu_reel, Cu_im = self.calculator.calculateXRaySld( "Cu")
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))
305
306	# Compute the Mo SLD
307	Mo_reel, Mo_im = self.calculator.calculateXRaySld( "Mo")
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
311	coh,absorp,inc= self.calculator.calculateNSld()
312	im = self.calculator.calculateAbsorptionIm()
313	length = self.calculator.calculateLength()
314	# Neutron SLD
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))
319	# Neutron length
320	self.neutron_length_ctl.SetValue(format_number(length))
321	# display wavelength
322	self.wavelength_ctl.SetValue(str(self.wavelength))
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
331
332
333
334
335
336
337
338
339	class SldWindow(wx.Frame):
340	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
341	wx.Frame.__init__(self, parent, id, title, size=(400, 400))
342
343	self.panel = SldPanel(self, base=base)
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 @ cf76ca74

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