Source code for schrodinger.application.jaguar.check_headers

def format(str):
    str = str.replace(" ", "")
    str = str.replace("\t", "")
    str = str.replace("\n", "")
    return str


def unwrap_lines(lines):
    """
    The header files are generated with line wrapping, but here we assume that
    only the comment fields (demarked by */ ... /*) are in practice wrapped.
    This function then concatenates separate lines belonging to the same comment
    into a single line.
    """
    lines_unwrap = []
    flag = 0
    long_line = ""
    for line in lines:
        if "/*" in line:
            if "*/" in line:
                # comment line ends in a single line
                lines_unwrap.append(format(line))
                flag = 0
            else:
                # comment line continues onto additional lines
                flag = 1
                long_line = line
        else:
            if flag == 0:
                # assume this is a complete line (no comment to wrap)
                lines_unwrap.append(format(line))
            else:
                # expecting update from wrapped line
                long_line = long_line + line
                if "*/" in line:
                    lines_unwrap.append(format(long_line))
                    long_line = ""
                    flag = 0
    return lines_unwrap


def strip_lines(lines):
    lines_strip = []
    for line in lines:
        if line:
            lines_strip.append(line)
    return lines_strip


#-----------------------------------------------------------------------------


def main():
    """
    Check auto-generated header files against reference files
    with a .ref subscript
    """
    for header in [
            "mmjag_keywords.h", "mmjag_default.h", "mmjag_mopac_keywords.h",
            "mmjag_mopac_default.h"
    ]:

        print("Checking header: ", header)

        # Auto-generated header file
        new_header = header
        new_file = open(new_header, "r")
        # Reference header file
        ref_header = header + ".ref"
        ref_file = open(ref_header, "r")

        new_lines = new_file.readlines()
        ref_lines = ref_file.readlines()

        print(("%s   %d lines.") % (ref_header, len(ref_lines)))
        print(("%s       %d lines.") % (new_header, len(new_lines)))

        print("Unwrapping and removing blank lines...")
        # Unwrap wrapped lines
        ref_unwrapped = unwrap_lines(ref_lines)
        new_unwrapped = unwrap_lines(new_lines)

        # Remove blank lines
        ref_unwrapped = strip_lines(ref_unwrapped)
        new_unwrapped = strip_lines(new_unwrapped)
        print(("%s   %d lines.") % (ref_header, len(ref_unwrapped)))
        print(("%s       %d lines.") % (new_header, len(new_unwrapped)))

        print("Searching for differences...\n")
        for i, new_line in enumerate(new_unwrapped):
            try:
                ref_line = ref_unwrapped[i]
            except IndexError:
                print("Headers have different lengths")
                raise
            if new_line != ref_line:
                print(new_line)
                print(ref_line)
                raise ValueError(
                    "Headers differ beyond whitespace and wrapping")

    print("All checks OK!")