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Commit afc76eb4 authored by M.D. Driver's avatar M.D. Driver
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updates due to change in resultsanalysis repository.

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solventmapcreator/test/polynomialanalysistest/polynomialplottingtest.py
+ 22
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...@@ -23,6 +23,7 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -23,6 +23,7 @@ class PolynomialPlottingTestCase(unittest.TestCase):
def setUp(self): def setUp(self):
"""Set up for tests """Set up for tests
""" """
self.maxDiff = None
self.expected_datapoints = solvationenergyreader.parse_binding_energy_from_file_with_data_arrays("resources/water.xml") self.expected_datapoints = solvationenergyreader.parse_binding_energy_from_file_with_data_arrays("resources/water.xml")
self.expected_free_energydatapoints = solvationenergyreader.parse_free_energy_from_file_with_data_arrays("resources/water_freeenergy.xml") self.expected_free_energydatapoints = solvationenergyreader.parse_free_energy_from_file_with_data_arrays("resources/water_freeenergy.xml")
def tearDown(self): def tearDown(self):
...@@ -221,10 +222,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -221,10 +222,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
neg_set_list) neg_set_list)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_write_poly_data_to_file_split_fit(self): def test_write_poly_data_to_file_split_fit(self):
"""Test to see if expected_fit is done on the positive and negative subsets. """Test to see if expected_fit is done on the positive and negative subsets.
""" """
...@@ -237,10 +238,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -237,10 +238,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
neg_set_list) neg_set_list)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_parse_free_energies_and_output_poly_data_subset(self): def test_parse_free_energies_and_output_poly_data_subset(self):
"""Test to see if expected_fit is done on a smaller subset of points. """Test to see if expected_fit is done on a smaller subset of points.
""" """
...@@ -251,10 +252,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -251,10 +252,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
[2, 4], actual_file_name, subset_list) [2, 4], actual_file_name, subset_list)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_parse_binding_energies_and_output_poly_data_subset(self): def test_parse_binding_energies_and_output_poly_data_subset(self):
"""Test to see if expected_fit is done on a smaller subset of points. """Test to see if expected_fit is done on a smaller subset of points.
""" """
...@@ -264,10 +265,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -264,10 +265,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
poly_file_out = polynomialplotting.parse_binding_energies_and_output_poly_data_subset("resources/water.xml", [2, 4], actual_file_name, subset_list) poly_file_out = polynomialplotting.parse_binding_energies_and_output_poly_data_subset("resources/water.xml", [2, 4], actual_file_name, subset_list)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_parse_free_energies_and_output_poly_data(self): def test_parse_free_energies_and_output_poly_data(self):
"""Test to see if expected polynomial fit information is outputted to file. """Test to see if expected polynomial fit information is outputted to file.
""" """
...@@ -277,10 +278,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -277,10 +278,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
[2, 4], actual_file_name) [2, 4], actual_file_name)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_parse_binding_energies_and_output_poly_data(self): def test_parse_binding_energies_and_output_poly_data(self):
"""Test to see if expected polynomial fit information is outputted to file. """Test to see if expected polynomial fit information is outputted to file.
""" """
...@@ -289,10 +290,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -289,10 +290,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
poly_file_out = polynomialplotting.parse_binding_energies_and_output_poly_data("resources/water.xml", [2, 4], actual_file_name) poly_file_out = polynomialplotting.parse_binding_energies_and_output_poly_data("resources/water.xml", [2, 4], actual_file_name)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_write_poly_data_to_file(self): def test_write_poly_data_to_file(self):
"""Test to see if expected polynomial fit data is written to file. """Test to see if expected polynomial fit data is written to file.
""" """
...@@ -302,10 +303,10 @@ class PolynomialPlottingTestCase(unittest.TestCase): ...@@ -302,10 +303,10 @@ class PolynomialPlottingTestCase(unittest.TestCase):
[2, 4], actual_file_name) [2, 4], actual_file_name)
self.assertEqual(0, poly_file_out) self.assertEqual(0, poly_file_out)
with open(expected_file_name, 'r') as exp_file: with open(expected_file_name, 'r') as exp_file:
exp_file_lines = exp_file.readlines() exp_file_lines = exp_file.read()
with open(actual_file_name, 'r') as act_file: with open(actual_file_name, 'r') as act_file:
act_file_lines = act_file.readlines() act_file_lines = act_file.read()
self.assertListEqual(act_file_lines, exp_file_lines) self.assertMultiLineEqual(act_file_lines, exp_file_lines)
def test_parse_free_energy_from_file_with_data_arrays(self): def test_parse_free_energy_from_file_with_data_arrays(self):
"""Test to see if expected datapoints are read in. """Test to see if expected datapoints are read in.
""" """
......
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