Changeset 168052c in sasmodels for sasmodels/models/be_polyelectrolyte.py

Timestamp:

Jan 29, 2016 4:02:35 AM (8 years ago)

Author:

piotr

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

ed82794

Parents:

bf6631a

Message:

pylint prettification

File:

• sasmodels/models/be_polyelectrolyte.py (modified) (5 diffs)

sasmodels/models/be_polyelectrolyte.py

@@ -44 +44 @@
 J F Joanny, L Leibler, *Journal de Physique*, 51 (1990) 545
 
-A Moussaid, F Schosseler, J P Munch, S Candau, *J. Journal de Physique II France*, 3 (1993) 573
+A Moussaid, F Schosseler, J P Munch, S Candau,
+*J. Journal de Physique II France*, 3 (1993) 573
 
 E Raphael, J F Joanny, *Europhysics Letters*, 11 (1990) 179
@@ -50 +51 @@
 """
 
-from numpy import inf, power, pi, sqrt
+from numpy import inf, pi, sqrt
 
 name = "be_polyelectrolyte"
@@ -66 +67 @@
 category = "shape-independent"
 
-#            ["name", "units", default, [lower, upper], "type", "description"],
-parameters = [["contrast_factor",       "barns",   10.0,  [-inf, inf], "", "Contrast factor of the polymer"],
-              ["bjerrum_length",        "Ang",      7.1,  [0, inf],    "", "Bjerrum length"],
-              ["virial_param",          "1/Ang^2", 12.0,  [-inf, inf], "", "Virial parameter"],
-              ["monomer_length",        "Ang",     10.0,  [0, inf],    "", "Monomer length"],
-              ["salt_concentration",    "mol/L",    0.0,  [-inf, inf], "", "Concentration of monovalent salt"],
-              ["ionization_degree",     "",         0.05, [0, inf],    "", "Degree of ionization"],
-              ["polymer_concentration", "mol/L",    0.7,  [0, inf],    "", "Polymer molar concentration"],
-              ]
+# pylint: disable=bad-whitespace, line-too-long
+#   ["name", "units", default, [lower, upper], "type", "description"],
+parameters = [
+    ["contrast_factor",       "barns",   10.0,  [-inf, inf], "", "Contrast factor of the polymer"],
+    ["bjerrum_length",        "Ang",      7.1,  [0, inf],    "", "Bjerrum length"],
+    ["virial_param",          "1/Ang^2", 12.0,  [-inf, inf], "", "Virial parameter"],
+    ["monomer_length",        "Ang",     10.0,  [0, inf],    "", "Monomer length"],
+    ["salt_concentration",    "mol/L",    0.0,  [-inf, inf], "", "Concentration of monovalent salt"],
+    ["ionization_degree",     "",         0.05, [0, inf],    "", "Degree of ionization"],
+    ["polymer_concentration", "mol/L",    0.7,  [0, inf],    "", "Polymer molar concentration"],
+    ]
+# pylint: enable=bad-whitespace, line-too-long
 
 
 def Iq(q,
-       contrast_factor,
-       bjerrum_length,
-       virial_param,
-       monomer_length,
-       salt_concentration,
-       ionization_degree,
-       polymer_concentration):
+       contrast_factor=10.0,
+       bjerrum_length=7.1,
+       virial_param=12.0,
+       monomer_length=10.0,
+       salt_concentration=0.0,
+       ionization_degree=0.05,
+       polymer_concentration=0.7):
+    """
+    :param q:                     Input q-value
+    :param contrast_factor:       Contrast factor of the polymer
+    :param bjerrum_length:        Bjerrum length
+    :param virial_param:          Virial parameter
+    :param monomer_length:        Monomer length
+    :param salt_concentration:    Concentration of monovalent salt
+    :param ionization_degree:     Degree of ionization
+    :param polymer_concentration: Polymer molar concentration
+    :return:                      1-D intensity
+    """
 
     concentration = polymer_concentration * 6.022136e-4
 
     k_square = 4.0 * pi * bjerrum_length * (2*salt_concentration +
-            ionization_degree * concentration)
+                                            ionization_degree * concentration)
 
     r0_square = 1.0/ionization_degree/sqrt(concentration) * \
-            (monomer_length/sqrt((48.0*pi*bjerrum_length)))
+                (monomer_length/sqrt((48.0*pi*bjerrum_length)))
 
     term1 = contrast_factor/(4.0 * pi * bjerrum_length *
-        ionization_degree**2) * (q**2 + k_square)
+                             ionization_degree**2) * (q**2 + k_square)
 
     term2 = 1.0 + r0_square**2 * (q**2 + k_square) * \
@@ -106 +121 @@
 
 def Iqxy(qx, qy, *args):
-        iq = Iq(sqrt(qx**2 + qy**2), *args)
-
-        return iq
+    """
+    :param qx:   Input q_x-value
+    :param qy:   Input q_y-value
+    :param args: Remaining arguments
+    :return:     2D-Intensity
+    """
+    iq = Iq(sqrt(qx**2 + qy**2), *args)
+    return iq
 
 Iqxy.vectorized = True  # Iqxy accepts an array of qx, qy values
@@ -134 +154 @@
 
 tests = [
-         # Accuracy tests based on content in test/utest_other_models.py
-         [{'contrast_factor':       10.0,
-           'bjerrum_length':         7.1,
-           'virial_param':          12.0,
-           'monomer_length':        10.0,
-           'salt_concentration':     0.0,
-           'ionization_degree':      0.05,
-           'polymer_concentration':  0.7,
-           'background':             0.001,
-           }, 0.001, 0.0948379],
 
-         # Additional tests with larger range of parameters
-         [{'contrast_factor':       10.0,
-           'bjerrum_length':       100.0,
-           'virial_param':           3.0,
-           'monomer_length':         1.0,
-           'salt_concentration':    10.0,
-           'ionization_degree':      2.0,
-           'polymer_concentration': 10.0,
-           }, 0.1, -3.75693800588],
+    # Accuracy tests based on content in test/utest_other_models.py
+    [{'contrast_factor':       10.0,
+      'bjerrum_length':         7.1,
+      'virial_param':          12.0,
+      'monomer_length':        10.0,
+      'salt_concentration':     0.0,
+      'ionization_degree':      0.05,
+      'polymer_concentration':  0.7,
+      'background':             0.001,
+     }, 0.001, 0.0948379],
 
-         [{'contrast_factor':       10.0,
-           'bjerrum_length':       100.0,
-           'virial_param':           3.0,
-           'monomer_length':         1.0,
-           'salt_concentration':    10.0,
-           'ionization_degree':      2.0,
-           'polymer_concentration': 10.0,
-           'background':           100.0
-           }, 5.0, 100.029142149],
+    # Additional tests with larger range of parameters
+    [{'contrast_factor':       10.0,
+      'bjerrum_length':       100.0,
+      'virial_param':           3.0,
+      'monomer_length':         1.0,
+      'salt_concentration':    10.0,
+      'ionization_degree':      2.0,
+      'polymer_concentration': 10.0,
+     }, 0.1, -3.75693800588],
 
-         [{'contrast_factor':     100.0,
-           'bjerrum_length':       10.0,
-           'virial_param':        180.0,
-           'monomer_length':        1.0,
-           'salt_concentration':    0.1,
-           'ionization_degree':     0.5,
-           'polymer_concentration': 0.1,
-           }, 200., 1.80664667511e-06],
-         ]
+    [{'contrast_factor':       10.0,
+      'bjerrum_length':       100.0,
+      'virial_param':           3.0,
+      'monomer_length':         1.0,
+      'salt_concentration':    10.0,
+      'ionization_degree':      2.0,
+      'polymer_concentration': 10.0,
+      'background':           100.0
+     }, 5.0, 100.029142149],
+
+    [{'contrast_factor':     100.0,
+      'bjerrum_length':       10.0,
+      'virial_param':        180.0,
+      'monomer_length':        1.0,
+      'salt_concentration':    0.1,
+      'ionization_degree':     0.5,
+      'polymer_concentration': 0.1,
+     }, 200., 1.80664667511e-06],
+    ]