diff --git a/solventmapcreator/solvationcalculation/solvationmapgenerator.py b/solventmapcreator/solvationcalculation/solvationmapgenerator.py index f12991019883b51725ec1fad5532733d87b8275a..b7afd6ef423c097feb90ae3b715034fd8adec141 100644 --- a/solventmapcreator/solvationcalculation/solvationmapgenerator.py +++ b/solventmapcreator/solvationcalculation/solvationmapgenerator.py @@ -43,8 +43,8 @@ def create_plot_input_data_from_files(epsilon_i_list, epsilon_j_list, theta = calculate_fractional_occupancy_for_phase(solvent_filename, solvent_id, kwargs.get("soluteconcentration", 0.001)) polynomial_coefficients = parse_polynomial_data_file_extract_polynomial_coefficients(polynomial_filename, polynomial_order) temperature = kwargs.get("temperature", 298.0) - x_label = kwargs.get("x_label", r"\beta") - y_label = kwargs.get("y_label", r"\alpha") + x_label = kwargs.get("x_label", r"$\beta$") + y_label = kwargs.get("y_label", r"$\alpha$") input_data = create_plot_input_data(epsilon_i_list, epsilon_j_list, temperature, theta, polynomial_coefficients, x_label, y_label) diff --git a/solventmapcreator/test/solvationcalculationtest/solvationmapgeneratortest.py b/solventmapcreator/test/solvationcalculationtest/solvationmapgeneratortest.py index f31bf33432134a393876e0088c406801d9951611..931fccd106e8356080e6b0030f3781b0f2ffa7a2 100644 --- a/solventmapcreator/test/solvationcalculationtest/solvationmapgeneratortest.py +++ b/solventmapcreator/test/solvationcalculationtest/solvationmapgeneratortest.py @@ -42,7 +42,7 @@ class SolvationMapGeneratorTestCase(unittest.TestCase): 'z_data':np.array([[-4.532289, -3.46086], [-3.46086, -1.671915], [-2.389432, 0.06058]]), - "x_label":"\\beta", "y_label":"\\alpha", + "x_label":"$\\beta$", "y_label":"$\\alpha$", "plot_axis_range":(0.0, 2.0, 0.0, 1.0), "figure_label":"water_solv_map"} actual_dict = solvationmapgenerator.create_plot_input_data_from_files(self.epsilon_i_list, self.epsilon_j_list,