Merge pull request #598 from idaholab/597-montepy-is_atomic_fraction-…

…does-not-work-as-expected

Fix bug with how new material components are exported.

.github/pull_request_template.md

@@ -13,29 +13,35 @@ Please provide a summary of the change, referencing the issue it fixes, if appli
 - [ ] I have performed a self-review of my own code.
 - [ ] The code follows the standards outlined in the [development documentation](https://idaholab.github.io/MontePy/developing.html).
 - [ ] I have added tests that prove my fix is effective or that my feature works (if applicable).
-- [ ] I have made corresponding changes to the documentation, providing clear details on the added or modified functionality (if applicable).
 
 ---
 
-### Documentation Checklist
+<details open> 
+
+<summary><h3>Documentation Checklist</h3></summary>
 
 - [ ] I have documented all added classes and methods.
 - [ ] For infrastructure updates, I have updated the developer's guide.
 - [ ] For significant new features, I have added a section to the getting started guide.
 
+</details>
+
 ---
 
-### First-Time Contributor Checklist
+<details>
+<summary><h3>First-Time Contributor Checklist</h3></summary>
 
 - [ ] If this is your first contribution, add yourself to `pyproject.toml` if you wish to do so.
 
+</details>
+
 ---
 
 ### Additional Notes for Reviewers
 
 Ensure that:
 
-- The submitted code is consistent with the merge checklist outlined [here](https://www.montepy.org/developing.html#merge-checklist).
-- The tests pass locally before CI checks.
-- The PR covers all relevant aspects according to the development guidelines.
+- [ ] The submitted code is consistent with the merge checklist outlined [here](https://www.montepy.org/developing.html#merge-checklist).
+- [ ] The PR covers all relevant aspects according to the development guidelines.
+- [ ] 100% coverage of the patch is achieved, or justification for a variance is given.
 """

doc/source/changelog.rst

@@ -5,6 +5,13 @@ MontePy Changelog
 0.5 releases
 ============
 
+#Next Version#
+--------------
+
+**Bug Fixes**
+
+* Fixed how material components work so new components can actually be added to a material and exported (:issue`597`).
+
 0.5.2
 --------------
 

montepy/data_inputs/material.py

@@ -152,8 +152,13 @@ def format_for_mcnp_input(self, mcnp_version):
 
     def _update_values(self):
         new_list = syntax_node.IsotopesNode("new isotope list")
-        for isotope, component in self._material_components.items():
+        for idx, (isotope, component) in enumerate(self._material_components.items()):
             isotope._tree.value = isotope.mcnp_str()
+            node = component._tree
+            node.is_negatable_float = True
+            node.is_negative = not self.is_atom_fraction
+            if idx < len(self._material_components) - 1 and not node.padding:
+                node.padding = syntax_node.PaddingNode(" ")
             new_list.append(("_", isotope._tree, component._tree))
         self._tree.nodes["data"] = new_list
 

pyproject.toml

@@ -43,7 +43,6 @@ test = [
 	"coverage[toml]>=6.3.2", 
 	"hypothesis",
 	"pytest", 
-	"hypothesis",
 	"pytest-profiling",
 	"montepy[build]",
 	"phmutest",

tests/test_material.py

@@ -68,6 +68,38 @@ def test_material_sort(self):
             self.assertEqual(mat, answers[i])
 
 
+@pytest.mark.parametrize(
+    "isotope_str, atom_frac, fraction",
+    [("2004.80c", False, 0.1), ("1001.70c", True, 0.1)],
+)
+@pytest.mark.filterwarnings("ignore")
+def test_material_component_add(isotope_str, atom_frac, fraction):
+    frac_marker = "-" if not atom_frac else ""
+    in_str = f"M20 1001.80c {frac_marker}0.5 8016.80c {frac_marker}0.5"
+    input_card = Input([in_str], BlockType.DATA)
+    material = Material(input_card)
+    iso = Isotope(isotope_str)
+    comp = MaterialComponent(iso, fraction)
+    material.material_components[iso] = comp
+    verify_export(material)
+
+
+def verify_export(mat):
+    output = mat.format_for_mcnp_input((6, 3, 0))
+    print(output)
+    new_mat = Material(Input(output, BlockType.DATA))
+    assert mat.number == new_mat.number, "Material number not preserved."
+    assert len(mat.material_components) == len(new_mat.material_components)
+    assert mat.is_atom_fraction == new_mat.is_atom_fraction
+    for old_comp, new_comp in zip(
+        mat.material_components.values(), new_mat.material_components.values()
+    ):
+        assert str(old_comp.isotope) == str(
+            new_comp.isotope
+        ), "Material didn't preserve nuclides."
+        assert old_comp.fraction == pytest.approx(new_comp.fraction)
+
+
 def test_material_format_mcnp():
     in_strs = ["M20 1001.80c 0.5", "     8016.80c         0.5"]
     input_card = Input(in_strs, BlockType.DATA)