Delete modify_nomad_xml.py

import xml.etree.ElementTree as ET

def modify_nomad_xml(input_file, output_file):

    """

    Modifies the NOMAD instrument definition XML file by:

    - Removing existing idlists

    - Assigning new idlists to banks

    - Flattening group components

    Parameters:

    input_file (str): Path to the input NOMAD XML file.

    output_file (str): Path to save the modified XML file.

    """

    ET.register_namespace('', "http://www.mantidproject.org/IDF/1.0")

    tree = ET.parse(input_file)

    root = tree.getroot()

    # Remove existing idlists

    for idlist in root.findall("{http://www.mantidproject.org/IDF/1.0}idlist"):

        root.remove(idlist)

    # Remove idlist attributes from certain components

    for component in root.findall("{http://www.mantidproject.org/IDF/1.0}component"):

        if component.attrib.get("type") in ["moderator", "sample-position", "monitors"]:

            component.attrib.pop("idlist", None)

    # Assign new idlists to banks

    bank_counter = 0

    current_id = 0

    pixels_in_pack = {"pack": 8 * 128, "packhalf": 8 * 128, "packhalfshort": 16 * 64}

    for bank in root.findall(".//{http://www.mantidproject.org/IDF/1.0}component"):

        if "pack" in bank.attrib.get("type", "").lower():

            pack_type = bank.attrib.get("type")

            pixel_count = pixels_in_pack[pack_type]

            bank_name = f"bank{bank_counter + 1}"

            bank_idlist_name = f"{bank_name}_ids"

            bank_idlist = ET.SubElement(root, "idlist", {"idname": bank_idlist_name})

            ET.SubElement(bank_idlist, "id", {"start": str(current_id), "end": str(current_id + pixel_count - 1)})

            bank.attrib["idlist"] = bank_idlist_name

            current_id += pixel_count

            bank_counter += 1

    # Save intermediate XML file

    tree.write("/tmp/Modified_NOMAD_Definition.xml")

    # Reload the modified XML file

    tree = ET.parse("/tmp/Modified_NOMAD_Definition.xml")

    root = tree.getroot()

    namespace = "{http://www.mantidproject.org/IDF/1.0}"

    # Remove all Group components

    for component in root.findall(f"{namespace}component"):

        if "Group" in component.attrib.get("type", ""):

            root.remove(component)

    # Flatten nested 'pack' components

    for type_element in root.findall(f"{namespace}type"):

        if "Group" in type_element.attrib.get("name", ""):

            for nested_component in type_element.findall(f"{namespace}component"):

                if "pack" in nested_component.attrib.get("type", "").lower():

                    pack_type = nested_component.attrib.get("type")

                    nested_component.set("type", pack_type)

                    root.append(nested_component)

            root.remove(type_element)

    # Save the final modified XML file

    tree.write(output_file)

    print(f"Modified NOMAD XML saved to: {output_file}")

# Example usage:

# modify_nomad_xml("NOMAD_Definition.xml", "/tmp/Modified_NOMAD_Definition_no_groups.xml")