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lines changed Original file line number Diff line number Diff line change 912912 },
913913 {
914914 "cell_type" : " code" ,
915- "execution_count" : 19 ,
915+ "execution_count" : null ,
916916 "id" : " f62f69a1-09c0-4a4a-9b37-9663b51a75ac" ,
917917 "metadata" : {},
918918 "outputs" : [],
919919 "source" : [
920- " import gzip\n " ,
921- " import json\n " ,
922- " import gufe\n " ,
920+ " # import gzip\n " ,
921+ " # import json\n " ,
922+ " # import gufe\n " ,
923923 " \n " ,
924- " outfile = \" abfe_results/toluene_results.json\"\n " ,
925- " with open(outfile) as stream:\n " ,
926- " results = json.load(stream)\n " ,
927- " estimate = results['estimate']\n " ,
928- " uncertainty = results['uncertainty']"
929- ]
930- },
931- {
932- "cell_type" : " code" ,
933- "execution_count" : 20 ,
934- "id" : " 3b459b28-a4dc-4fa9-a961-b106c45d79ce" ,
935- "metadata" : {},
936- "outputs" : [
937- {
938- "data" : {
939- "text/plain" : [
940- " {'magnitude': -4.671169105743085,\n " ,
941- " 'unit': 'kilocalorie_per_mole',\n " ,
942- " ':is_custom:': True,\n " ,
943- " 'pint_unit_registry': 'openff_units'}"
944- ]
945- },
946- "execution_count" : 20 ,
947- "metadata" : {},
948- "output_type" : " execute_result"
949- }
950- ],
951- "source" : [
952- " estimate"
924+ " # outfile = \" abfe_results/toluene_results.json\"\n " ,
925+ " # with open(outfile) as stream:\n " ,
926+ " # results = json.load(stream)\n " ,
927+ " # estimate = results['estimate']\n " ,
928+ " # uncertainty = results['uncertainty']\n " ,
929+ " \n " ,
930+ " # estimate"
953931 ]
954932 }
955933 ],
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