Entries missing from input_parameters

[Bernadette-Mohr]

No description provided.

[JFRudzinski]

try this:

parameters[val_scalar.group(1)] = inline_comment.group()

[JFRudzinski]

this is not functional, but just to avoid calling the group() twice: parameters[val_scalar.group(1)] = val_scalar_group2

[JFRudzinski]

The other quantities parse fine as well. Here is the code I am using, but it should be identical to yours except the changes above

class GromacsMdpParser(TextParser):
    def __init__(self):
        super().__init__(None)

    def init_quantities(self):
        def str_to_input_parameters(val_in):
            re_array = re.compile(r"\s*([\w\-]+)\[[\d ]+\]\s*=\s*\{*(.+)")
            re_scalar = re.compile(r"\s*([\w\-]+)\s*[=:]\s*(.+)")
            re_comment = re.compile(r"^\S+?(?=[\s;])")
            parameters = dict()
            val = [line.strip() for line in val_in.splitlines()]
            for val_n in val:
                val_scalar = re_scalar.match(val_n)
                if val_scalar:
                    val_scalar_group2 = val_scalar.group(2)
                    inline_comment = re_comment.match(val_scalar_group2)
                    if inline_comment:
                        parameters[val_scalar.group(1)] = inline_comment.group()
                    else:
                        parameters[val_scalar.group(1)] = val_scalar_group2
                    continue
                val_array = re_array.match(val_n)
                if val_array:
                    # print("val_array", val_array)
                    parameters.setdefault(val_array.group(1), [])
                    value = [
                        to_float(v) for v in val_array.group(2).rstrip("}").split(",")
                    ]
                    parameters[val_array.group(1)].append(
                        value[0] if len(value) == 1 else value
                    )
            # print("\nTEST:", parameters)
            return parameters