From 73db5c9573856f619a1d08f7ddc7c13659540e38 Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Thu, 9 Jan 2025 09:09:44 -0800 Subject: [PATCH] when loading energies from file cast key string integers into true integers --- pynta/tasks.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pynta/tasks.py b/pynta/tasks.py index da2f2d6d..924a352e 100644 --- a/pynta/tasks.py +++ b/pynta/tasks.py @@ -1222,7 +1222,7 @@ def run_task(self, fw_spec): configs_of_concern_by_admol[admol_name] = [(Molecule().from_adjacency_list(k[0],check_consistency=False),k[1],k[2],k[3]) for k in json.load(f)] Ncoad_energy_path = os.path.join(path,"Iterations",str(iter),"Ncoad_energy_"+admol_name+".json") with open(Ncoad_energy_path,'r') as f: - Ncoad_energy_by_admol[admol_name] = json.load(f) + Ncoad_energy_by_admol[admol_name] = {int(k):v for k,v in json.load(f).items()} #load tree nodes = read_nodes(os.path.join(path,"Iterations",str(iter),"regressor.json"))