From e625d8227a3b5eed1a5d502f307761e7b88b9cbf Mon Sep 17 00:00:00 2001 From: riesben Date: Wed, 18 Sep 2024 07:59:43 +0200 Subject: [PATCH] checking another thing. --- examples/konnektor_example.ipynb | 4 ++-- .../generators/_parallel_mapping_pattern.py | 6 ------ 2 files changed, 2 insertions(+), 8 deletions(-) diff --git a/examples/konnektor_example.ipynb b/examples/konnektor_example.ipynb index c6a20c3..3f08199 100644 --- a/examples/konnektor_example.ipynb +++ b/examples/konnektor_example.ipynb @@ -834,7 +834,7 @@ "source": [ "# first let's generate the Star Network (we will use the networker from above).\n", "ch_radial_networker = StarNetworkGenerator(\n", - " mappers=mapper, scorer=combo_scorer, n_processes=5\n", + " mappers=mapper, scorer=combo_scorer, n_processes=1\n", ")\n", "charge_star_network = ch_radial_networker(used_componentes)\n", "charge_star_network.name = \"Star Network\"\n", @@ -843,7 +843,7 @@ "from konnektor.network_planners import RedundantMinimalSpanningTreeNetworkGenerator\n", "\n", "ch_rmst_networker = RedundantMinimalSpanningTreeNetworkGenerator(\n", - " mappers=mapper, scorer=combo_scorer, n_processes=5, n_redundancy=2\n", + " mappers=mapper, scorer=combo_scorer, n_processes=1, n_redundancy=2\n", ")\n", "charge_rmst_network = ch_rmst_networker(used_componentes)\n", "charge_rmst_network.name = \"Redundant MST Network\"" diff --git a/src/konnektor/network_planners/generators/_parallel_mapping_pattern.py b/src/konnektor/network_planners/generators/_parallel_mapping_pattern.py index e1a2516..93953f7 100644 --- a/src/konnektor/network_planners/generators/_parallel_mapping_pattern.py +++ b/src/konnektor/network_planners/generators/_parallel_mapping_pattern.py @@ -24,12 +24,6 @@ def thread_mapping(args) -> list[AtomMapping]: return a list of scored atom mappings """ - import functools - import multiprocessing as mult - - from gufe import AtomMapper, AtomMapping - from gufe import SmallMoleculeComponent - from tqdm.auto import tqdm jobID, compound_pairs, mappers, scorer = args