Changeset 829eee9 in sasview for sansmodels/src/sans/models

Timestamp:

Mar 24, 2008 9:05:53 AM (17 years ago)

Author:

Gervaise Alina <gervyh@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

3db3895

Parents:

15f0e94

Message:

added 10 other models
BEPolyelectrolyte
DABModel
DebyeModel?
FractalModel?
GuinierModel?
LorentzModel?
PorodModel?
PowerLawModel?
TeubnerSteyModel?
UnifiedModel?

Location:

sansmodels/src/sans/models

Files:

• BEPolyelectrolyte.py (added)
• DABModel.py (added)
• DebyeModel.py (added)
• FractalModel.py (added)
• GuinierModel.py (added)
• LorentzModel.py (added)
• PorodModel.py (added)
• PowerLawModel.py (added)
• TeubnerStreyModel.py (added)
• UnifiedPowerLaw.py (added)
• test/utest_nonshape.py (modified) (4 diffs)

sansmodels/src/sans/models/test/utest_nonshape.py

@@ -5 +5 @@
 
 import unittest, time, math
+from scipy.special import erf,gamma
 
 # Disable "missing docstring" complaint
@@ -13 +14 @@
 # pylint: disable-msg=R0201
 
- 
+import scipy 
 class TestGuinier(unittest.TestCase):
     """
@@ -57 +58 @@
         #self.assertEqual(self.model.run([r, phi]), value)
         self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+        
 class TestPorod(unittest.TestCase):
     """
@@ -88 +91 @@
         
         value = self._func(2.0, 1.0)*self._func(2.0, 2.0)
-        
-        #self.assertEqual(self.model.run([r, phi]), value)
-        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+class TestDebye(unittest.TestCase):
+    """
+        Unit tests for Debye function
+        
+        F(x) = 2( exp(-x)+x -1 )/x**2
+        
+        The model has three parameters: 
+            Rg     =  radius of gyration
+            scale  =  scale factor
+            bkd    =  Constant background
+    """
+    def _func(self, Rg, scale, bkg, x):
+        y = (Rg * x)**2
+        return scale * (2*(math.exp(-y) + y -1)/y**2) + bkg
+    
+    def setUp(self):
+        from DebyeModel import DebyeModel
+        self.model= DebyeModel()
+        self.model.setParam('Rg', 50.0)    
+        self.model.setParam('scale',1.0) 
+        self.model.setParam('bkd',0.001)   
+        
+    def test1D(self):
+        value = self._func(50.0, 1.0, 0.001, 2.0)
+        self.assertEqual(self.model.run(2.0), value)
+        
+        #user enter zero as a value of x
+        self.assertEqual(self.model.run(0.0),False)
+       
+        
+    def test2D(self):
+        value = self._func(50.0, 1.0, 0.001, 1.0)*self._func(50.0, 1.0, 0.001, 2.0)
+        self.assertEqual(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(50.0, 1.0, 0.001, 1.0)*self._func(50.0, 1.0, 0.001, 2.0)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+        
+class TestLorentz(unittest.TestCase):
+    """
+        Unit tests for Lorentz function
+        
+         F(x) = scale/( 1 + (x*L)^2 ) + bkd
+        
+        The model has three parameters: 
+            L     =  screen Length
+            scale  =  scale factor
+            bkd    =  incoherent background
+    """
+    def _func(self,scale,L,bkd,x):
+         return scale/( 1 + (x*L)**2 ) + bkd 
+    def setUp(self):
+        from LorentzModel import LorentzModel
+        self.model= LorentzModel()
+        
+    def test1D(self):
+        self.model.setParam('scale', 100.0)
+        self.model.setParam('L', 50.0)
+        self.model.setParam('bkd', 1.0)
+        
+        self.assertEqual(self.model.run(0.0), 101.0)
+        self.assertEqual(self.model.run(2.0), self._func(100.0, 50.0, 1.0, 2.0))
+        
+    def test2D(self):
+        self.model.setParam('scale', 100.0)
+        self.model.setParam('L', 50.0)
+        self.model.setParam('bkd', 1.0)
+        
+        value = self._func(100.0, 50.0, 1.0, 1.0)*self._func(100.0, 50.0, 1.0, 2.0)    
+        self.assertEqual(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        self.model.setParam('scale', 100.0)
+        self.model.setParam('L', 50.0)
+        self.model.setParam('bkd', 1.0)
+        
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(100.0, 50.0, 1.0, x)*self._func(100.0, 50.0, 1.0, y)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+class TestDAB(unittest.TestCase):
+    """
+        Unit tests for DAB function
+        
+         F(x) = scale/( 1 + (x*L)^2 )^(2) + bkd
+        
+        The model has three parameters: 
+            L      =  Correlation Length
+            scale  =  scale factor
+            bkd    =  incoherent background
+    """
+    def _func(self, a, b,c, x):
+        return a/(( 1 + ( x * b )**2 ))**2 + c
+    
+    def setUp(self):
+        from DABModel import DABModel
+        self.model= DABModel()
+        
+    def test1D(self):
+        self.model.setParam('scale', 10.0)
+        self.model.setParam('L', 40.0)
+        self.model.setParam('bkd', 0.0)
+        
+        self.assertEqual(self.model.run(0.0), 10.0)
+        self.assertEqual(self.model.run(2.0), self._func(10.0, 40.0, 0.0, 2.0))
+        
+    def test2D(self):
+        self.model.setParam('scale', 10.0)
+        self.model.setParam('L', 40.0)
+        self.model.setParam('bkd', 0.0)
+        
+        value = self._func(10.0, 40.0, 0.0, 1.0)*self._func(10.0, 40.0, 0.0, 2.0)    
+        self.assertEqual(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        self.model.setParam('scale', 10.0)
+        self.model.setParam('L', 40.0)
+        self.model.setParam('bkd', 0.0)
+        
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(10.0, 40.0, 0.0, x)*self._func(10.0, 40.0, 0.0, y)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+class TestPowerLaw(unittest.TestCase):
+    """
+        Unit tests for PowerLaw function
+
+        F(x) = scale* (x)^(m) + bkd
+        
+        The model has three parameters: 
+            m     =  power
+            scale  =  scale factor
+            bkd    =  incoherent background
+    """
+    def _func(self, a, m,c, x):
+        return a*(x )**m + c
+    
+    def setUp(self):
+        from PowerLawModel import PowerLawModel
+        self.model= PowerLawModel()
+        
+    def test1D(self):
+        self.model.setParam('scale', math.exp(-6))
+        self.model.setParam('m', 4.0)
+        self.model.setParam('bkd', 1.0)
+        
+        self.assertEqual(self.model.run(0.0), 1.0)
+        self.assertEqual(self.model.run(2.0), self._func(math.exp(-6), 4.0, 1.0, 2.0))
+        
+    def test2D(self):
+        self.model.setParam('scale', math.exp(-6))
+        self.model.setParam('m', 4.0)
+        self.model.setParam('bkd', 1.0)
+        
+        value = self._func(math.exp(-6), 4.0, 1.0, 1.0)\
+        *self._func(math.exp(-6), 4.0, 1.0, 2.0)    
+        
+        self.assertEqual(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        self.model.setParam('scale', math.exp(-6))
+        self.model.setParam('m', 4.0)
+        self.model.setParam('bkd', 1.0)
+        
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(math.exp(-6), 4.0, 1.0, x)\
+        *self._func(math.exp(-6), 4.0, 1.0, y)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+                
+class TestTeubnerStrey(unittest.TestCase):
+    """
+        Unit tests for PowerLaw function
+
+        F(x) = 1/( scale + c1*(x)^(2)+  c2*(x)^(4)) + bkd
+        
+        The model has Four parameters: 
+            scale  =  scale factor
+            c1     =  constant
+            c2     =  constant
+            bkd    =  incoherent background
+    """
+    def _func(self, a,c1,c2,b, x):
+        return 1/( a + c1*(x)**(2)+  c2*(x)**(4)) + b
+    
+    def setUp(self):
+        from TeubnerStreyModel import TeubnerStreyModel
+        self.model= TeubnerStreyModel()
+        
+    def test1D(self):
+        
+        self.model.setParam('c1', -30.0) 
+        self.model.setParam('c2', 5000.0) 
+        self.model.setParam('scale', 0.1)
+        self.model.setParam('bkd', 0.1)
+        #self.assertEqual(1/(math.sqrt(4)), math.pow(4,-1/2))
+        self.assertEqual(self.model.TeubnerStreyLengths(),False )
+        
+        self.assertEqual(self.model.run(0.0), 10.1)
+        self.assertEqual(self.model.run(2.0), self._func(0.1,-30.0,5000.0,0.1,2.0))
+        
+    def test2D(self):
+        self.model.setParam('c1', -30.0) 
+        self.model.setParam('c2', 5000.0) 
+        self.model.setParam('scale', 0.1)
+        self.model.setParam('bkd', 0.1)
+        value = self._func(0.1,-30.0,5000.0,0.1, 1.0)\
+        *self._func(0.1,-30.0,5000.0,0.1, 2.0)    
+        
+        self.assertEqual(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        self.model.setParam('c1', -30.0) 
+        self.model.setParam('c2', 5000.0) 
+        self.model.setParam('scale', 0.1)
+        self.model.setParam('bkd', 0.1)
+        
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(0.1,-30.0,5000.0,0.1, x)\
+        *self._func(0.1,-30.0,5000.0,0.1, y)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+class TestBEPolyelectrolyte(unittest.TestCase):
+    """
+        Unit tests for  BEPolyelectrolyte function
+        
+        F(x) = K*1/(4*pi()*Lb*(alpha)^(2)*(q^(2)+k2)/(1+(r02)^(2))*(q^(2)+k2)\
+                       *(q^(2)-(12*h*C/b^(2)))
+        
+        The model has Eight parameters: 
+            K        =  Constrast factor of the polymer
+            Lb       =  Bjerrum length
+            H        =  virial parameter
+            B        =  monomer length
+            Cs       =  Concentration of monovalent salt 
+            alpha    =  ionazation degree 
+            C        = polymer molar concentration
+            bkd      = background
+    """
+    def _func(self, K, Lb, H, B, Cs, alpha, C, bkd, r02, k2,  x):
+        return (K /( (4*math.pi *Lb*(alpha**2)*(x**2 +k2)) *( (1 +(r02**2))  \
+                    *((x**2) + k2)*((x**2) -(12 * H * C/(B**2))) )))+ bkd
+    
+    def setUp(self):
+        from BEPolyelectrolyte import BEPolyelectrolyte
+        self.model= BEPolyelectrolyte()
+        
+    def test1D(self):
+        
+        self.model.setParam('K', 10.0) 
+        self.model.setParam('Lb', 7.1) 
+        self.model.setParam('H', 12)
+        self.model.setParam('B', 10)
+        self.model.setParam('Cs',0.0) 
+        self.model.setParam('alpha', 0.05) 
+        self.model.setParam('C', 0.7)
+        self.model.setParam('bkd', 0.001)
+        K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7)
+        Ca = 0.7 * 6.022136 * math.exp(-4)
+        r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5)))
+ 
+        
+        self.assertEqual(self.model.run(0.0), self._func( 10.0, 7.1, 12,\
+                        10.0, 0.0,0.05,0.7,0.001, r02, K2,  0.0))
+        self.assertEqual(self.model.run(2.0),  self._func( 10.0, 7.1, 12,\
+                        10.0, 0.0,0.05,0.7,0.001, r02, K2,  2.0))
+        
+    def test2D(self):
+        self.model.setParam('K', 10.0) 
+        self.model.setParam('Lb', 7.1) 
+        self.model.setParam('H', 12)
+        self.model.setParam('B', 10)
+        self.model.setParam('Cs',0.0) 
+        self.model.setParam('alpha', 0.05) 
+        self.model.setParam('C', 0.7)
+        self.model.setParam('bkd', 0.001)
+        K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7)
+        Ca = 0.7 * 6.022136 * math.exp(-4)
+        r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5)))
+ 
+        value = self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2,  1.0)\
+        *self._func(10.0, 7.1, 12,10.0, 0.0,0.05,0.7,0.001, r02, K2, 2.0)    
+        
+        self.assertAlmostEquals(self.model.runXY([1.0,2.0]), value)
+        
+    def test2Dphi(self):
+        self.model.setParam('K', 10.0) 
+        self.model.setParam('Lb', 7.1) 
+        self.model.setParam('H', 12)
+        self.model.setParam('B', 10)
+        self.model.setParam('Cs',0.0) 
+        self.model.setParam('alpha', 0.05) 
+        self.model.setParam('C', 0.7)
+        self.model.setParam('bkd', 0.001)
+        K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7)
+        Ca = 0.7 * 6.022136 * math.exp(-4)
+        r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5)))
+        
+        x = 1.0
+        y = 2.0
+        r = math.sqrt(x**2 + y**2)
+        phi = math.atan2(y, x)
+        
+        value = self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2,  x)\
+        *self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2, y)
+        self.assertAlmostEquals(self.model.run([r, phi]), value,1)
+        
+class TestFractalModel(unittest.TestCase):
+    """
+        Unit tests for  Number Density Fractal function   
+        F(x)= P(x)*S(x) + bkd
+        The model has Seven parameters: 
+            scale   =  Volume fraction
+            Radius  =  Block radius
+            Fdim    =  Fractal dimension
+            L       =  correlation Length
+            SDLB    =  SDL block
+            SDLS    =  SDL solvent
+            bkd     =  background
+    """
+    def _func(self,p,s, bkd, x):
+        return p*s + bkd
+    
+    def setUp(self):
+        from FractalModel import FractalModel
+        self.model= FractalModel()
+        
+    def test1D(self):
+        
+        self.model.setParam('scale', 0.05) 
+        self.model.setParam('Radius',5) 
+        self.model.setParam('Fdim',2)
+        self.model.setParam('L', 100)
+        self.model.setParam('SDLB',2*math.exp(-6)) 
+        self.model.setParam('SDLS', 6.35*math.exp(-6)) 
+        self.model.setParam('bkd', 0.0)
+        
+        s= 1 + (math.sin((2 - 1) * math.atan(2.0*100))* 2 * gamma(2-1))\
+           /( math.pow( (2.0*5),2)*( 1 + 1/math.pow(((2.0**2)*(100**2)),(2-1)/2))) 
+        v= (4/3)*math.pi *math.pow(5, 3)
+        f= ( math.sin(2.0*5)-(2.0*5)*math.cos(2.0*5) )/(3*math.pow(2.0*5, 3))
+        p= 0.05 *(v**2)*(((2*math.exp(-6))-(6.35*math.exp(-6)))**2)*(f**2)
+       
+        self.assertEqual(self.model._scatterRanDom(2.0),p )
+        self.assertEqual(self.model._Block(2.0),s )
+        self.assertEqual(self.model.run(2.0),self._func(p,s ,0.0,2.0))
+        
+class TestUnifiedPowerLaw(unittest.TestCase):
+    """
+        Unit tests for Unified PowerLaw function
+
+        F(x) =  bkd + sum(G[i]*exp(-x**2 *Rg[i]**2 /3)) \
+          + [B[i]( erf(x*Rg[i]/math.sqrt(6)))** (3*p[i])]/x**p[i] )
+        
+    """
+  
+    def setUp(self):
+        from  UnifiedPowerLaw import  UnifiedPowerLawModel
+        self.model=  UnifiedPowerLawModel()
+        
+    def _func(self,level,B,Rg,G,Pow,bkd, x):
+        return bkd + (B * math.pow(erf(x *Rg/math.sqrt(6)),3 *Pow))/math.pow(x,Pow)
+    
+    def _Sum (self,level,x):
+        self.sum = 0
+        for i in xrange(level):
+            self.sum =self.sum +self.model.getParam('G'+str(i+1))*math.exp(-(x**2)*\
+                         (self.model.getParam('Rg'+str(i+1))**2)/3)
+        return self.sum
+    
+    def test1D(self):
+        
+
+        self.model.setParam('bkd', 0.0)
+        #setValueParam(self,level,Bvalue,Rgvalue,Gvalue,Pvalue)
+        self.model.setValueParam(1,2,1,2,5)
+        self.model.setValueParam(2,3,12,8,9)
+        self.model.setValueParam(3,0,2,3,2)
+        self.model.setValueParam(4,1,4,1,-1)
+        self.model.setValueParam(5,1,4,1,-2)
+        
+        self.assertEqual(self.model.getValue('P',1),5)
+        self.assertEqual(self.model.getValue('Rg',2),12)
+   
+        value1 = self._func(1,2,1,2,5,0.0,1.0)+self._Sum(5,1.0)
+        value2 = self._func(2,3,12,8,9,0.0,1.0)+self._Sum(5,1.0)
+        value3 = self._func(3,0,2,3,2,0.0,1.0)+self._Sum(5,1.0)
+        value4 = self._func(4,1,4,1,-1,0.0,1.0)+self._Sum(5,1.0)
+        value5 = self._func(5,1,4,1,-2,0.0,1.0)+self._Sum(5,1.0)
+        self.assertEqual(self.model.run(1,1.0), value1)
+        self.assertEqual(self.model.run(2,1.0), value2)
+        self.assertEqual(self.model.run(3,1.0), value3)
+        self.assertEqual(self.model.run(4,1.0), value4)
+        self.assertEqual(self.model.run(5,1.0), value5)
+        
+ 
+        
         
 if __name__ == '__main__':