def test_PeakFitterUncertainties(self):
y = unumpy.uarray((self.y,np.sqrt(self.y)))
peaknames = ['LaB6_110', 'LaB6_111', 'LaB6_200', 'LaB6_210', 'LaB6_211']
pks = from_unitcell(self.x,y,[4.15695,4.15695,4.15695,90,90,90],'pm-3m',2,4,name='LaB6')
fitter = PeakFitter(self.x,pks)
fitter.refine(y)
saveplot(self.x,unumpy.nominal_values(y),fitter.lastfit,'peakfitter_uncertainties.png')
self.assertListEqual(peaknames,[p.name for p in pks])
cens = [p.centre.nominal_value for p in pks]
self.assertEquals(len(cens),5)
self.assertAlmostEquals(cens[0],2.1391,4)
self.assertAlmostEquals(cens[1],2.6195,4)
self.assertAlmostEquals(cens[2],3.0249,4)
def test_PeakFitter(self):
peaknames = ['LaB6_110', 'LaB6_111', 'LaB6_200', 'LaB6_210', 'LaB6_211']
pks = from_unitcell(self.x,self.y,[4.15695,4.15695,4.15695,90,90,90],'pm-3m',2,4,name='LaB6')
fitter = PeakFitter(self.x,pks)
fitter.refine(self.y)
result = fitter.lastresult
saveplot(self.x,self.y,fitter.lastfit,'peakfitter.png')
cens = [v['centre'].nominal_value for v in result.itervalues()]
censu = [v['centre'].std_dev() for v in result.itervalues()]
self.assertListEqual([p.centre.nominal_value for p in pks],cens)
self.assertListEqual([p.centre.std_dev() for p in pks],censu)
self.assertListEqual(peaknames,[p.name for p in pks])
self.assertEquals(len(cens),5)
self.assertAlmostEquals(cens[0],2.1391,4)
self.assertAlmostEquals(cens[1],2.6195,4)
self.assertAlmostEquals(cens[2],3.0249,4)
return x,y
#x,y = createpeak([4,0.7,2000,0,0,100])
#peak = estimate_peak(x,y,shape='g')
#print peak.height
#print y.max()-100
#
#x,y = createpeak([4,0.7,2000,0.25,0,100])
#peak = estimate_peak(x,y,shape='pv')
#print peak.height
#print y.max()-100
x,y = createpeak([4,0.17,2000,0,0,0.1])
peak = estimate_peak(x,y,shape='g')
pf = PeakFitter(x,[peak])
pf.refine(y)
print peak.height
#print peak.area
peak.height = 11052
#print peak.area
x,y = createpeak([4,0.17,peak.area,0,0,0.1])
peak = estimate_peak(x,y,shape='g')
print peak.height
#x,y = createpeak([4,0.17,3000,0.5,0,0])
#plt.plot(x,y,'b.')
#plt.plot(x,peak.profile(x,True),'r-')
#plt.show()
def test_PeakFitterAdd(self):
peaknames = ['LaB6_110', 'LaB6_111', 'LaB6_200', 'LaB6_210', 'LaB6_211']
pks = from_unitcell(self.x,self.y,[4.15695,4.15695,4.15695,90,90,90],'pm-3m',2,4,name='LaB6')
fitter = PeakFitter(self.x,[])
for p in pks:
fitter.add(p)
fitter.refine(self.y)
self.assertListEqual(peaknames,[p.name for p in pks])
cens = [p.centre.nominal_value for p in pks]
self.assertEquals(len(cens),5)
self.assertAlmostEquals(cens[0],2.1391,4)
self.assertAlmostEquals(cens[1],2.6195,4)
self.assertAlmostEquals(cens[2],3.0249,4)
pks = from_unitcell(self.x,self.y,[4.15695,4.15695,4.15695,90,90,90],'pm-3m',2,4,name='LaB6')
fitter = PeakFitter(self.x,[])
fitter.add_many(pks)
fitter.refine(self.y)
self.assertListEqual(peaknames,[p.name for p in pks])
cens = [p.centre.nominal_value for p in pks]
self.assertEquals(len(cens),5)
self.assertAlmostEquals(cens[0],2.1391,4)
self.assertAlmostEquals(cens[1],2.6195,4)
self.assertAlmostEquals(cens[2],3.0249,4)
pks = from_unitcell(self.x,self.y,[4.15695,4.15695,4.15695,90,90,90],'pm-3m',2,4,name='LaB6')
fitter = PeakFitter(self.x,pks[0:2])
for p in pks[2:]:
fitter.add(p)
fitter.refine(self.y)
self.assertListEqual(peaknames,[p.name for p in pks])
cens = [p.centre.nominal_value for p in pks]
self.assertEquals(len(cens),5)
self.assertAlmostEquals(cens[0],2.1391,4)
self.assertAlmostEquals(cens[1],2.6195,4)
self.assertAlmostEquals(cens[2],3.0249,4)
if __name__ == '__main__':
# loader = unittest.TestLoader()
# loader.loadTestsFromTestCase(TestBasicFunctions)
# loader.loadTestsFromTestCase(TestSinglePeak)
# loader.loadTestsFromTestCase(TestBatchFitting)
#
# unittest.main(verbosity=2)
truevals = [4.2,0.75,10000,0,0,150]
x,y = createpeak(truevals)
peak = estimate_peak(x,y)
pf = PeakFitter(x,[peak])
pf.backup()
print 'backed up'
print id(peak._pset)
print id(peak._pset_bck)
print peak._pset['centre']
print peak._pset_bck['centre']
print 'refined'
pf.refine(y)
print id(peak._pset)
print id(peak._pset_bck)
print peak._pset['centre']
print peak._pset_bck['centre']
print 'restored'
