Add old tests for main_graph composition (TODO: update)

tests/test_hierarchy_handler.py

@@ -0,0 +1,73 @@
+from copy import deepcopy
+import pytest
+import networkx as nx
+from ..utils.hierarchy_handler import HierarchyFactory, PSection
+
+
+class MockSection(PSection):
+    def __init__(self, name: str, formula: str):
+        self.name = name
+        self.formula = formula
+
+    def get_name(self) -> str:
+        return self.name
+
+    def __lt__(self, other: "MockSection") -> bool:
+        return self.name < other.name
+
+    def __gt__(self, other: "MockSection") -> bool:
+        return self.name > other.name
+
+
+@pytest.fixture
+def mock_hierarchy() -> HierarchyFactory:
+    """Forbidden construction: only to be used for testing construction mechanisms.
+    The testing system we construct is:
+    - polymer
+    -- monomer
+    - solvent
+    -- (possible extension to solvent molecules)
+    """
+    graph = HierarchyFactory()
+    root_name = graph._delimiter
+    graph.main_graph.add_node("polymer", section=MockSection("", "C20H42"))
+    graph.main_graph.add_node("monomer", section=MockSection("", "CH2"))
+    graph.main_graph.add_node("solvent", section=MockSection("", "H100O50"))
+    graph.main_graph.add_edge("polymer", root_name)
+    graph.main_graph.add_edge("monomer", "polymer")
+    graph.main_graph.add_edge("solvent", root_name)
+
+
+@pytest.mark.parametrize(
+    "path, expected",
+    [
+        ("/polymer", nx.DiGraph().add_edges_from([("polymer", "/")])),
+        ("/solvent", nx.DiGraph().add_edges_from([("solvent", "/")])),
+        ("/polymer/monomer", nx.DiGraph().add_edges_from([("polymer", "/")])),
+    ],
+)
+def test_path_to_graph(mock_hierarchy, path: str, expected: list):
+    assert mock_hierarchy._seg_to_graph(mock_hierarchy._split_path(path)) == expected
+
+
+@pytest.mark.parametrize(
+    "path, expected",
+    [
+        ("/polymer", "C20H42"),
+        ("/solvent", "H100O50"),
+    ],
+)
+def test_get_section(mock_hierarchy, path: str, expected: str):
+    assert mock_hierarchy.get_section(path).formula == expected
+
+
+@pytest.mark.parametrize(
+    "parent_path, name",
+    [
+        ("/solvent", "water"),
+    ],
+)
+def test_add_path(mock_hierarchy, parent_path, name: str):
+    mock_copy = deepcopy(mock_hierarchy)
+    mock_copy.add_to_path(parent_path, MockSection(name, "H2O"))
+    assert name in mock_copy.main_graph.nodes[name]