From 6e9e809c99dfd08ffe2db6bc1db51f36b1a93456 Mon Sep 17 00:00:00 2001 From: "Saigiridharan, Lakshidaa" Date: Tue, 5 Dec 2023 14:58:37 +0000 Subject: [PATCH] Fix max_transforms in mcts --- aizynthfinder/search/mcts/state.py | 2 +- tests/test_finder.py | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/aizynthfinder/search/mcts/state.py b/aizynthfinder/search/mcts/state.py index 162ec7e..89e8e34 100644 --- a/aizynthfinder/search/mcts/state.py +++ b/aizynthfinder/search/mcts/state.py @@ -51,7 +51,7 @@ def __init__(self, mols: Sequence[TreeMolecule], config: Configuration) -> None: self.is_solved = all(self.in_stock_list) self.max_transforms = max(mol.transform for mol in self.mols) self.is_terminal = ( - self.max_transforms > config.search.max_transforms + self.max_transforms >= config.search.max_transforms ) or self.is_solved inchis = [mol.inchi_key for mol in self.mols] diff --git a/tests/test_finder.py b/tests/test_finder.py index 9089c9a..f020f4f 100644 --- a/tests/test_finder.py +++ b/tests/test_finder.py @@ -227,7 +227,7 @@ def test_three_expansions_not_solved(setup_aizynthfinder): } finder = setup_aizynthfinder(lookup, [child1_smi[0], child1_smi[2], child2_smi[0]]) finder.config.search.return_first = True - finder.config.search.max_transforms = 2 + finder.config.search.max_transforms = 3 finder.config.search.iteration_limit = 15 finder.tree_search() @@ -569,7 +569,7 @@ def test_two_expansions_prune_cyclic(setup_aizynthfinder): finder.tree_search() nodes = list(finder.tree.graph()) - assert len(nodes) == 8 + assert len(nodes) == 7 assert state_smiles(nodes[0].state) == [root_smi] assert state_smiles(nodes[1].state) == child1_smi assert state_smiles(nodes[2].state) == [root_smi]