@@ -226,7 +226,6 @@ def get_mc_scores(propensities, identifier, ignore_intra:bool):
226226 max_keys = ['A:A*' , 'B:B*' , 'A:B' , 'B:A' ] if max_sc in AA_intra_propensities or max_sc in BB_intra_propensities \
227227 else ['A:A' , 'B:B' , 'A:B' , 'B:A' ]
228228
229-
230229 return [round ((max_mc - max_sc ), 2 ),
231230 max_keys [max_list .index (max (max_list ))],
232231 round (max_mc , 2 ),
@@ -439,7 +438,7 @@ def main(structure, work_directory, failure_directory, library, csdrefcode, igno
439438 default = ccdc_coformers_dir )
440439 parser .add_argument ('-f' , '--failure_directory' , type = str ,
441440 help = 'The location where the failures file should be generated' )
442- parser .add_argument ('-i' , '--ignore_intra' , action = 'store_true' , default = False ,
441+ parser .add_argument ('-i' , '--ignore_intra' , type = bool , action = 'store_true' , default = False ,
443442 help = 'Ignore intramolecular hydrogen bonds when ranking pairs' )
444443 parser .add_argument ('--force_run_disordered' , action = "store_true" ,
445444 help = 'Forces running the script on disordered entries. (NOT RECOMMENDED)' , default = False )
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