add methods to read in files with split fitting.

solventmapcreator/io/polynomialdatareader.py

@@ -38,7 +38,14 @@ def parse_polynomial_data_file(filename):
     data_in = read_polynomial_data_file(filename)
     for line_list in data_in[1:]:
         polynomial_data = read_polynomial_data_line(line_list)
-        polynomial_data_dict[polynomial_data["order"]] = polynomial_data
+        if "fit_range" in polynomial_data:
+            fit_range = polynomial_data.pop("fit_range")
+            if polynomial_data["order"] in polynomial_data_dict:
+                polynomial_data_dict[polynomial_data["order"]][fit_range] = polynomial_data
+            else:
+                polynomial_data_dict[polynomial_data["order"]] = {fit_range:polynomial_data}
+        else:
+            polynomial_data_dict[polynomial_data["order"]] = polynomial_data
     return polynomial_data_dict
 
 def read_polynomial_data_file(filename):

solventmapcreator/test/iotest/polynomialdatareadertest.py

@@ -75,6 +75,29 @@ class PolynomialDataReaderTestCase(unittest.TestCase):
                     self.assertEqual(expected_dictionary[key], actual_dictionary[key])
                 else:
                     np.testing.assert_array_almost_equal(expected_dictionary[key], actual_dictionary[key])
+        expected_poly_dict2 = {1:{"positive":self.expected_data_by_solvent_id["expected,poly,fit"][1],
+                                 "negative":self.expected_data_by_solvent_id["expected,poly,fit"][1]}}
+        actual_poly_dict2 = polynomialdatareader.parse_polynomial_data_file("resources/expected_poly_fit2.csv")
+        for poly_order in expected_poly_dict2.keys():
+            expected_mix_dictionary = expected_poly_dict2[poly_order]
+            actual_mix_dictionary = actual_poly_dict2[poly_order]
+            self.assertListEqual(sorted(expected_mix_dictionary.keys()),
+                                 sorted(actual_mix_dictionary.keys()))
+            for key in expected_mix_dictionary.keys():
+                actual_dictionary = actual_mix_dictionary[key]
+                expected_dictionary = expected_mix_dictionary[key]
+                self.assertListEqual(sorted(expected_dictionary.keys()),
+                                 sorted(actual_dictionary.keys()))
+                for key in expected_dictionary.keys():
+                    if key == "RMSE":
+                        self.assertAlmostEqual(expected_dictionary[key],
+                                               actual_dictionary[key])
+                    elif key == "order":
+                        self.assertEqual(expected_dictionary[key],
+                                         actual_dictionary[key])
+                    else:
+                        np.testing.assert_array_almost_equal(expected_dictionary[key],
+                                                             actual_dictionary[key])
     def test_read_polynomial_data_file(self):
         """Test to see if file is read as expected.
         """