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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -1314,10 +1314,16 @@ def merge(
13141314 edit_mol .set_property ("connectivity0" , conn0 )
13151315 edit_mol .set_property ("connectivity1" , conn1 )
13161316 # Merge the intrascale properties of the two molecules.
1317+ ff = molecule0 .property (ff0 )
1318+ sf14 = _SireMM .CLJScaleFactor (
1319+ ff .electrostatic14_scale_factor (), ff .vdw14_scale_factor ()
1320+ )
13171321 merged_intrascale = _SireIO .mergeIntrascale (
13181322 molecule0 .property ("intrascale" ),
13191323 molecule1 .property ("intrascale" ),
1320- edit_mol .info (),
1324+ conn0 ,
1325+ conn1 ,
1326+ sf14 ,
13211327 mol0_merged_mapping ,
13221328 mol1_merged_mapping ,
13231329 )
Original file line number Diff line number Diff line change @@ -1302,10 +1302,16 @@ def merge(
13021302 edit_mol .set_property ("connectivity" , conn )
13031303
13041304 # Merge the intrascale properties of the two molecules.
1305+ ff = molecule0 .property (ff0 )
1306+ sf14 = _SireMM .CLJScaleFactor (
1307+ ff .electrostatic14_scale_factor (), ff .vdw14_scale_factor ()
1308+ )
13051309 merged_intrascale = _SireIO .mergeIntrascale (
13061310 molecule0 .property ("intrascale" ),
13071311 molecule1 .property ("intrascale" ),
1308- edit_mol .info (),
1312+ conn0 ,
1313+ conn1 ,
1314+ sf14 ,
13091315 mol0_merged_mapping ,
13101316 mol1_merged_mapping ,
13111317 )
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