diff --git a/solventmapcreator/solvationcalculation/solvationmapgenerator.py b/solventmapcreator/solvationcalculation/solvationmapgenerator.py index df170017efe71900353d319759f1ea1f8e2c026c..560ad9f56b7778ca855ac79ca5c731da8c3bf380 100644 --- a/solventmapcreator/solvationcalculation/solvationmapgenerator.py +++ b/solventmapcreator/solvationcalculation/solvationmapgenerator.py @@ -91,7 +91,12 @@ def parse_polynomial_data_file_extract_polynomial_coefficients(filename, """This parses a polynomial file and gets the coefficients for the given polynomial order. """ - return parse_polynomial_data_file(filename)[polynomial_order]["coefficients"] + polynomial_information = parse_polynomial_data_file(filename)[polynomial_order] + if "positive" in polynomial_information.keys(): + return {"positive":polynomial_information["positive"]["coefficients"], + "negative":polynomial_information["negative"]["coefficients"]} + else: + return polynomial_information["coefficients"] def parse_polynomial_data_file(filename): """This parses a polynomial data file, and extracts the information