Fix writing of NOX xml

pyproject.toml

@@ -39,7 +39,8 @@ dev = [
   "pytest",
   "pytest-cov",
   "testbook",
-  "vistools"
+  "vistools",
+  "xmltodict"
 ]
 
 [project.urls]

src/meshpy/four_c/header_functions.py

@@ -388,7 +388,7 @@ def set_header_static(
     )
 
     # Set the contents of the NOX xml file.
-    nox_xml = f"""
+    nox_xml_contents = f"""
         <ParameterList name="Status Test">
         <!-- Outer Status Test: This test is an OR combination of the structural convergence and the maximum number of iterations -->
         <ParameterList name="Outer Status Test">
@@ -448,7 +448,7 @@ def set_header_static(
     )
 
     # Set the xml content in the input file.
-    input_file.nox_xml = nox_xml
+    input_file.nox_xml_contents = nox_xml_contents
 
 
 def set_binning_strategy_section(

src/meshpy/four_c/input_file.py

@@ -26,9 +26,9 @@
 import sys as _sys
 from datetime import datetime as _datetime
 from pathlib import Path as _Path
-from typing import Any as _Any
 from typing import Dict as _Dict
 from typing import List as _List
+from typing import Optional as _Optional
 
 from fourcipp.fourc_input import FourCInput as _FourCInput
 
@@ -142,9 +142,9 @@ def add(self, object_to_add, **kwargs):
 
     def dump(
         self,
-        input_file_path: _Path,
+        input_file_path: str | _Path,
         *,
-        nox_xml_file: bool | str = False,
+        nox_xml_file: str | None = None,
         add_header_default: bool = True,
         add_header_information: bool = True,
         add_footer_application_script: bool = True,
@@ -157,10 +157,9 @@ def dump(
             input_file_path:
                 Path to the input file that should be created.
             nox_xml_file:
-                If this is a string, the xml file will be created with this
-                name. If this is False, no xml file will be created. If this
-                is True, the xml file will be created with the name of the
-                input file with the extension ".xml".
+                If this is a string, the NOX xml file will be created with this
+                name. If this is None, the NOX xml file will be created with the
+                name of the input file with the extension ".nox.xml".
             add_header_default:
                 Prepend the default MeshPy header comment to the input file.
             add_header_information:
@@ -176,22 +175,17 @@ def dump(
                 Validate if the created input file is compatible with 4C with FourCIPP.
         """
 
+        # Make sure the given input file is a Path instance.
+        input_file_path = _Path(input_file_path)
+
         if self.nox_xml_contents:
-            if nox_xml_file is False:
-                xml_file_name = "NOT_DEFINED"
-            elif nox_xml_file is True:
-                xml_file_name = _os.path.splitext(input_file_path)[0] + ".xml"
-            elif isinstance(nox_xml_file, str):
-                xml_file_name = nox_xml_file
-            else:
-                raise TypeError("nox_xml_file must be a string or a boolean value.")
+            if nox_xml_file is None:
+                nox_xml_file = input_file_path.name.split(".")[0] + ".nox.xml"
 
-            self.sections["STRUCT NOX/Status Test"] = {"XML File": xml_file_name}
+            self["STRUCT NOX/Status Test"] = {"XML File": nox_xml_file}
 
             # Write the xml file to the disc.
-            with open(
-                _os.path.join(_os.path.dirname(input_file_path), xml_file_name), "w"
-            ) as xml_file:
+            with open(input_file_path.parent / nox_xml_file, "w") as xml_file:
                 xml_file.write(self.nox_xml_contents)
 
         # Add information header to the input file

tests/conftest.py

@@ -25,13 +25,13 @@
 import os
 import shutil
 import subprocess
-from difflib import unified_diff
 from pathlib import Path
 from typing import Any, Callable, Dict, Optional, Union
 
 import numpy as np
 import pytest
 import vtk
+import xmltodict
 from _pytest.config import Config
 from _pytest.config.argparsing import Parser
 from fourcipp.utils.dict_utils import compare_nested_dicts_or_lists
@@ -335,6 +335,10 @@ def get_raw_data(
     elif isinstance(obj, Path) and obj.suffix == ".json":
         return json.loads(get_string(obj))
 
+    elif isinstance(obj, Path) and obj.suffix == ".xml":
+        with open(obj, "r", encoding="utf-8") as f:
+            return xmltodict.parse(f.read())
+
     else:
         raise TypeError(f"The comparison for {type(obj)} is not yet implemented.")
 
@@ -381,12 +385,13 @@ def _assert_results_equal(
             elif reference.suffix in [".vtk", ".vtu"]:
                 compare_vtk_files(reference, result, rtol, atol)
                 return
-            elif reference.suffix in [".yaml"]:
+            elif reference.suffix in [".yaml", ".xml"]:
                 reference_data = get_raw_data(reference)
                 result_data = get_raw_data(result)
                 compare_nested_dicts_or_lists_with_custom_compare(
                     reference_data, result_data, rtol, atol
                 )
+                return
             else:
                 raise NotImplementedError(
                     f"Comparison is not yet implemented for {reference.suffix} files."

tests/reference-files/test_header_functions_nox_xml.xml

@@ -0,0 +1,45 @@
+<ParameterList name="Status Test">
+  <!-- Outer Status Test: This test is an OR combination of the structural convergence and the maximum number of iterations -->
+  <ParameterList name="Outer Status Test">
+    <Parameter name="Test Type" type="string" value="Combo"/>
+    <Parameter name="Combo Type" type="string" value="OR"/>
+    <!-- Structural convergence is an AND combination of the residuum and step update -->
+    <ParameterList name="Test 0">
+      <Parameter name="Test Type" type="string" value="Combo"/>
+      <Parameter name="Combo Type" type="string" value="AND"/>
+      <!-- BEGIN: Combo AND - Test 0: "NormF" -->
+      <ParameterList name="Test 0">
+        <Parameter name="Test Type" type="string" value="NormF"/>
+        <!-- NormF - Quantity 0: Check the right-hand-side norm of the structural quantities -->
+        <ParameterList name="Quantity 0">
+          <Parameter name="Quantity Type" type="string" value="Structure"/>
+          <Parameter name="Tolerance Type" type="string" value="Absolute"/>
+          <Parameter name="Tolerance" type="double" value="1e-05"/>
+          <Parameter name="Norm Type" type="string" value="Two Norm"/>
+          <Parameter name="Scale Type" type="string" value="Scaled"/>
+        </ParameterList>
+      </ParameterList>
+      <!-- END: Combo AND - Test 0: "NormF" -->
+      <!-- BEGIN: Combo AND - Test 1: "NormWRMS" -->
+      <ParameterList name="Test 1">
+        <Parameter name="Test Type" type="string" value="NormUpdate"/>
+        <!-- NormWRMS - Quantity 0: Check the increment of the structural displacements -->
+        <ParameterList name="Quantity 0">
+          <Parameter name="Quantity Type" type="string" value="Structure"/>
+          <Parameter name="Tolerance Type" type="string" value="Absolute"/>
+          <Parameter name="Tolerance" type="double" value="0.0001"/>
+          <Parameter name="Norm Type" type="string" value="Two Norm"/>
+          <Parameter name="Scale Type" type="string" value="Scaled"/>
+        </ParameterList>
+      </ParameterList>
+      <!-- END: Combo AND - Test 1: "NormWRMS" -->
+    </ParameterList>
+    <!-- END: Combo 0 - Test 0: "Combo" -->
+    <!-- BEGIN: Combo OR - Test 1: "MaxIters" -->
+    <ParameterList name="Test 1">
+      <Parameter name="Test Type" type="string" value="MaxIters"/>
+      <Parameter name="Maximum Iterations" type="int" value="20"/>
+    </ParameterList>
+    <!--END: "MaxIters" -->
+  </ParameterList>
+</ParameterList>

tests/test_header_functions.py

@@ -193,3 +193,36 @@ def test_header_functions_beam_interaction(
 
     # Compare the output.
     assert_results_equal(get_corresponding_reference_file_path(), input_file)
+
+
+@pytest.mark.parametrize(
+    ("nox_xml_file_kwarg", "xml_relative_path"),
+    [(None, "xml_test.nox.xml"), ("custom_name.xml", "custom_name.xml")],
+)
+def test_header_functions_nox_xml(
+    get_corresponding_reference_file_path,
+    assert_results_equal,
+    nox_xml_file_kwarg,
+    xml_relative_path,
+    tmp_path,
+):
+    """Test that the NOX xml is exported correctly."""
+
+    input_file = InputFile()
+    set_header_static(
+        input_file, total_time=1.0, n_steps=1, tol_increment=1e-4, tol_residuum=1e-5
+    )
+    input_file.dump(
+        tmp_path / "xml_test.4C.yaml",
+        nox_xml_file=nox_xml_file_kwarg,
+        add_footer_application_script=False,
+    )
+
+    # Check the xml path in the input file
+    assert input_file["STRUCT NOX/Status Test"]["XML File"] == xml_relative_path
+
+    # Check the created xml
+    assert_results_equal(
+        get_corresponding_reference_file_path(extension="xml"),
+        tmp_path / xml_relative_path,
+    )