PyPI - aiagents4pharma - Versions diffs - 1.0.0__tar.gz → 1.1.0__tar.gz - Mend

aiagents4pharma 1.0.0tar.gz → 1.1.0tar.gz

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Files changed (22) hide show

{aiagents4pharma-1.0.0 → aiagents4pharma-1.1.0}/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: aiagents4pharma
-Version: 1.0.0
+Version: 1.1.0
 Summary: AI Agents for drug discovery, drug development, and other pharmaceutical R&D
 Classifier: Programming Language :: Python :: 3
 Classifier: License :: OSI Approved :: MIT License

{aiagents4pharma-1.0.0 → aiagents4pharma-1.1.0}/aiagents4pharma/talk2biomodels/models/basico_model.py RENAMED Viewed

@@ -62,10 +62,19 @@ class BasicoModel(SysBioModel):
                 # check if the param_name is not None
                 if param_name is None:
                     continue
-                basico.model_info.set_species(name=param_name,
-                                            exact=True,
-                                            initial_concentration=param_value,
-                                            model=self.copasi_model)
+                # if param is a kinectic parameter
+                df_all_params = basico.model_info.get_parameters(model=self.copasi_model)
+                if param_name in df_all_params.index.tolist():
+                    basico.model_info.set_parameters(name=param_name,
+                                                exact=True,
+                                                initial_value=param_value,
+                                                model=self.copasi_model)
+                # if param is a species
+                else:
+                    basico.model_info.set_species(name=param_name,
+                                                exact=True,
+                                                initial_concentration=param_value,
+                                                model=self.copasi_model)
         # Run the simulation and return results
         df_result = basico.run_time_course(model=self.copasi_model,

{aiagents4pharma-1.0.0 → aiagents4pharma-1.1.0}/aiagents4pharma.egg-info/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: aiagents4pharma
-Version: 1.0.0
+Version: 1.1.0
 Summary: AI Agents for drug discovery, drug development, and other pharmaceutical R&D
 Classifier: Programming Language :: Python :: 3
 Classifier: License :: OSI Approved :: MIT License