def test(self):
'''Testing code goes here'''
from diffpy.pdfgui.control.parameter import Parameter
self.window.parameters = {3:Parameter(3), 17:Parameter(17), 11:Parameter(11)}
self.window.parameters[3].setInitial(1)
self.window.parameters[17].setInitial(0.55)
self.window.parameters[11].setInitial(5.532)
self.window.refresh()
def setUp(self):
self.app = wx.App()
self.frame = wx.Frame(None)
self.panel = ParametersPanel(self.frame, -1)
self.panel.parameters.update([
(1, Parameter(1, 0.1)),
(5, Parameter(5, 0.5)),
])
self.panel.refresh()
self.panel.mainFrame = self._mockUpMainFrame()
self.frame.window = self.panel
return
def test___init__(self):
"check Parameter.__init__"
p = Parameter(3, 2.2)
self.assertEqual(3, p.idx)
self.assertIsNone(p.refined)
self.assertEqual(2.2, p.initialValue())
p100 = Parameter(100, self.fitting)
self.assertAlmostEqual(0.7957747, p100.initialValue(), 6)
p102 = Parameter(102, "=fit-d300:102")
self.assertAlmostEqual(1.1811493, p102.initialValue(), 6)
self.assertRaises(ControlTypeError, Parameter, 1, None)
return
def test_refine(self):
"""check PdfFitSandbox.refine()
"""
fNi_stru = datafile('Ni.stru')
fNi_data = datafile("Ni_2-8.chi.gr")
sandbox = self.box.sandbox()
sandbox.update({"fNi_stru": fNi_stru, "fNi_data": fNi_data})
exec "read_data(fNi_data, X, 40.1, 0.05)" in sandbox
exec "read_struct(fNi_stru)" in sandbox
exec "refine()" in sandbox
self.assertEqual(2, len(self.box._fits))
self.assertEqual(1, len(self.box._fits[0].strucs))
self.assertEqual(1, len(self.box._fits[0].datasets))
self.assertEqual(1, len(self.box._fits[1].strucs))
self.assertEqual(1, len(self.box._fits[1].datasets))
# check fit linking:
self.box._fits[-1].parameters[1] = Parameter(1, 0.05)
exec "refine(0.01)" in sandbox
self.assertEqual(3, len(self.box._fits))
names = [f.name for f in self.box._fits]
self.assertEqual('0', names[0])
self.assertEqual('1', names[1])
self.assertEqual('2', names[2])
self.assertEqual(0, self.box._curdataset)
self.assertEqual(0, self.box._curphase)
s = self.box._fits[-1].parameters[1].initialStr()
self.assertEqual("=1:1", s)
return
def setpar(self, idx, val):
"""Set value of constrained parameter.
idx -- parameter index
val -- Either a numerical value or a reference to variable
Raises:
KeyError when parameter is yet to be constrained
"""
# people do not use parenthesis, e.g., "setpar(3, qdamp)"
# in such case val is a reference to PdfFit method
curfit = self._fits[-1]
if callable(val):
val = val()
# here val can be either number or variable string
if type(val) in (types.IntType, types.FloatType):
value = float(val)
# it is string of either dataset variable
elif val in PdfFitSandbox._dataset_vars:
curdataset = curfit.datasets[self._curdataset]
value = curdataset.getvar(val)
# or phase variable otherwise
else:
curphase = curfit.strucs[self._curphase]
value = curphase.getvar(val)
# here we can set the parameter
curfit.parameters[idx] = Parameter(idx, initial=value)
return
def test_initialValue(self):
"check Parameter.initialValue"
p1 = Parameter(1, 0.25)
self.assertEqual(0.25, p1.initialValue())
self.assertEqual("0.25", p1.initialStr())
px = Parameter(7, "=undefined")
self.assertRaises(ControlKeyError, px.initialValue)
self.assertEqual("=undefined:7", px.initialStr())
return
def findParameters(self):
"""Obtain dictionary of parameters used by self.constraints.
The keys of returned dictionary are integer parameter indices, and
their values Parameter instances, with guessed initial values.
returns dictionary of indices and Parameter instances
"""
foundpars = {}
for var, con in self.constraints.iteritems():
con.guess(self.getvar(var))
for pidx, pguess in con.parguess.iteritems():
# skip if already found
if pidx in foundpars:
continue
# insert to foundpars otherwise
if pguess is not None:
foundpars[pidx] = Parameter(pidx, initial=pguess)
else:
foundpars[pidx] = Parameter(pidx, initial=0.0)
return foundpars
def test_fixpar(self):
"""check PdfFitSandbox.fixpar()
"""
sandbox = self.box.sandbox()
curfit = self.box._fits[-1]
for i in range(1, 4):
curfit.parameters[i] = Parameter(i, 1.0 * i)
exec 'fixpar(1)' in sandbox
self.assertEqual(True, curfit.parameters[1].fixed)
self.assertEqual(False, curfit.parameters[2].fixed)
self.assertEqual(False, curfit.parameters[3].fixed)
exec 'fixpar(ALL)' in sandbox
self.assertEqual(True, curfit.parameters[1].fixed)
self.assertEqual(True, curfit.parameters[2].fixed)
self.assertEqual(True, curfit.parameters[3].fixed)
self.assertRaises(ControlKeyError, self.box.fixpar, 77)
return