comparison COBRAxy/custom_data_generator.py @ 395:64563ca68ace draft

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author francesco_lapi
date Fri, 05 Sep 2025 13:22:34 +0000
parents 52658ddcaa5d
children dab29c3a5281
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394:a0b53ccc73a8 395:64563ca68ace
227 raise utils.DataErr(ARGS.model, f"failed loading built-in model: {e}") 227 raise utils.DataErr(ARGS.model, f"failed loading built-in model: {e}")
228 228
229 # Determine final model name: explicit --name overrides, otherwise use the model id 229 # Determine final model name: explicit --name overrides, otherwise use the model id
230 230
231 model_name = ARGS.name if ARGS.name else ARGS.model 231 model_name = ARGS.name if ARGS.name else ARGS.model
232 232 print(ARGS.name)
233 print(model_name)
234 print(ARGS.medium_selector)
233 235
234 if ARGS.name == "ENGRO2" and ARGS.medium_selector != "Default": 236 if ARGS.name == "ENGRO2" and ARGS.medium_selector != "Default":
235 df_mediums = pd.read_csv(ARGS.tool_dir + "/local/medium/medium.csv", index_col = 0) 237 df_mediums = pd.read_csv(ARGS.tool_dir + "/local/medium/medium.csv", index_col = 0)
236 ARGS.medium_selector = ARGS.medium_selector.replace("_", " ") 238 ARGS.medium_selector = ARGS.medium_selector.replace("_", " ")
237 medium = df_mediums[[ARGS.medium_selector]] 239 medium = df_mediums[[ARGS.medium_selector]]
245 for reaction, value in medium.items(): 247 for reaction, value in medium.items():
246 if value is not None: 248 if value is not None:
247 model.reactions.get_by_id(reaction).lower_bound = -float(value) 249 model.reactions.get_by_id(reaction).lower_bound = -float(value)
248 250
249 if ARGS.name == "ENGRO2" and ARGS.gene_format != "Default": 251 if ARGS.name == "ENGRO2" and ARGS.gene_format != "Default":
250 utils.convert_genes(model, ARGS.gene_format) 252 model = utils.convert_genes(model, ARGS.gene_format)
251 253
252 # generate data 254 # generate data
253 rules = generate_rules(model, asParsed = False) 255 rules = generate_rules(model, asParsed = False)
254 reactions = generate_reactions(model, asParsed = False) 256 reactions = generate_reactions(model, asParsed = False)
255 bounds = generate_bounds(model) 257 bounds = generate_bounds(model)