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Minor bug fixes
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Old-Shatterhand committed Feb 16, 2025
1 parent d458fe5 commit 57d61d6
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Showing 4 changed files with 5 additions and 5 deletions.
1 change: 0 additions & 1 deletion conftest.py
Original file line number Diff line number Diff line change
Expand Up @@ -95,7 +95,6 @@ def pytest_generate_tests(metafunc):
))
metafunc.definition.own_markers = []
for args, values, ids, indirect in new_markers:
print(args)
metafunc.parametrize(
args,
values,
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2 changes: 1 addition & 1 deletion glyles/glycans/poly/glycan.py
Original file line number Diff line number Diff line change
Expand Up @@ -357,7 +357,7 @@ def save_dot(self, output, horizontal=False):
else:
graph = pydot.Dot("iupac_tree")
for node in range(len(self.parse_tree.nodes)):
graph.add_node(pydot.Node(node, label=self.parse_tree.nodes[node]["type"].get_name(full=True)))
graph.add_node(pydot.Node(node, label=self.parse_tree.nodes[node]["type"].get_name("full")))
for edge in self.parse_tree.edges():
graph.add_edge(pydot.Edge(*edge[::-1], label=self.parse_tree.get_edge_data(*edge)["type"]))
graph.write(output)
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2 changes: 1 addition & 1 deletion glyles/glycans/poly/walker.py
Original file line number Diff line number Diff line change
Expand Up @@ -32,7 +32,7 @@ def parse(self, t):
self.parse_int(c)
return self.g, self.full and len(list(nx.connected_components(self.g.to_undirected()))) == 1

def parse_int(self, t, parent: int):
def parse_int(self, t):
"""
Parse a parsed tree (AST) from ANTLR into this networkx graph.
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5 changes: 3 additions & 2 deletions tests/test_smiles.py
Original file line number Diff line number Diff line change
Expand Up @@ -59,8 +59,9 @@ def test_smiles_mono(self, data):
compare_smiles(computed, sol)

@pytest.mark.parametrize("root_orientation", ["n", "a", "b"])
@pytest.mark.parametrize("iupac, plain, alpha, beta", smiles_samples_simple)
def test_smiles_poly(self, iupac, plain, alpha, beta, root_orientation):
@pytest.mark.parametrize("data", smiles_samples_simple)
def test_smiles_poly(self, data, root_orientation):
iupac, plain, alpha, beta = data
computed = Glycan(iupac, root_orientation=root_orientation).get_smiles()

if root_orientation == "a":
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