aiagents4pharma 1.0.0__py3-none-any.whl → 1.1.0__py3-none-any.whl

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@@ -62,10 +62,19 @@ class BasicoModel(SysBioModel):
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  # check if the param_name is not None
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  if param_name is None:
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  continue
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- basico.model_info.set_species(name=param_name,
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- exact=True,
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- initial_concentration=param_value,
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- model=self.copasi_model)
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+ # if param is a kinectic parameter
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+ df_all_params = basico.model_info.get_parameters(model=self.copasi_model)
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+ if param_name in df_all_params.index.tolist():
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+ basico.model_info.set_parameters(name=param_name,
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+ exact=True,
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+ initial_value=param_value,
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+ model=self.copasi_model)
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+ # if param is a species
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+ else:
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+ basico.model_info.set_species(name=param_name,
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+ exact=True,
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+ initial_concentration=param_value,
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+ model=self.copasi_model)
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  # Run the simulation and return results
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  df_result = basico.run_time_course(model=self.copasi_model,
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: aiagents4pharma
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- Version: 1.0.0
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+ Version: 1.1.0
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  Summary: AI Agents for drug discovery, drug development, and other pharmaceutical R&D
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  Classifier: Programming Language :: Python :: 3
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  Classifier: License :: OSI Approved :: MIT License
@@ -1,15 +1,15 @@
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  aiagents4pharma/__init__.py,sha256=OF-rmtiLauF4NIlzEvMrWhNiX-mo5NJ4vrUtQbcLwts,93
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  aiagents4pharma/talk2biomodels/__init__.py,sha256=MueXwbnuiQyiju7mW6NepFUiZJdodMzmUK3TkQT7iPk,99
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  aiagents4pharma/talk2biomodels/models/__init__.py,sha256=5fTHHm3PVloYPNKXbgNlcPgv3-u28ZquxGydFYDfhJA,122
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- aiagents4pharma/talk2biomodels/models/basico_model.py,sha256=zJeLfqGJnQp9baJUsovgQV_WFsVTP2TVZmOG60GyeP8,3639
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+ aiagents4pharma/talk2biomodels/models/basico_model.py,sha256=SC9rFzLWzNxcQueAduL3dBmDh-lTtP1agH-TXjucOkw,4199
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  aiagents4pharma/talk2biomodels/models/sys_bio_model.py,sha256=xN-ZXCpIxNkEXuDIvi_AW6LpCyPqXReGyhLPyJIXNqs,1980
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  aiagents4pharma/talk2biomodels/tools/__init__.py,sha256=AM03pbYT3nOzI5jf_CJmSDaDwrI-IZ0Zq9hLA2tOXpw,182
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  aiagents4pharma/talk2biomodels/tools/ask_question.py,sha256=WYEtNuy-wAuwMbP9W9l0qmcHmIuW1ZFMX7SvoYgkv0A,5530
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  aiagents4pharma/talk2biomodels/tools/model_description.py,sha256=NawUK549IqlC36dUmJjIBI1QGeLpNV-JlBt7AiV2BDs,6295
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  aiagents4pharma/talk2biomodels/tools/plot_figure.py,sha256=8QHH6gA7vI85e8RsWJSX8ZAH_WsuIBGLpYqyr4CllVQ,5648
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  aiagents4pharma/talk2biomodels/tools/simulate_model.py,sha256=phUtNScCZQ281MvcU0N2NMkg4Lb8NmfXiMAVt3ON_UQ,6959
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- aiagents4pharma-1.0.0.dist-info/LICENSE,sha256=IcIbyB1Hyk5ZDah03VNQvJkbNk2hkBCDqQ8qtnCvB4Q,1077
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- aiagents4pharma-1.0.0.dist-info/METADATA,sha256=h0lOu1rCm0LNRLdvyFa7NG1OVz6ORrL1wWx8fA73kvA,5460
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- aiagents4pharma-1.0.0.dist-info/WHEEL,sha256=a7TGlA-5DaHMRrarXjVbQagU3Man_dCnGIWMJr5kRWo,91
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- aiagents4pharma-1.0.0.dist-info/top_level.txt,sha256=-AH8rMmrSnJtq7HaAObS78UU-cTCwvX660dSxeM7a0A,16
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- aiagents4pharma-1.0.0.dist-info/RECORD,,
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+ aiagents4pharma-1.1.0.dist-info/LICENSE,sha256=IcIbyB1Hyk5ZDah03VNQvJkbNk2hkBCDqQ8qtnCvB4Q,1077
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+ aiagents4pharma-1.1.0.dist-info/METADATA,sha256=1HDLcadxRN13sDHaf8W22PEaxrt6SKe7fU0TiznVryg,5460
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+ aiagents4pharma-1.1.0.dist-info/WHEEL,sha256=R06PA3UVYHThwHvxuRWMqaGcr-PuniXahwjmQRFMEkY,91
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+ aiagents4pharma-1.1.0.dist-info/top_level.txt,sha256=-AH8rMmrSnJtq7HaAObS78UU-cTCwvX660dSxeM7a0A,16
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+ aiagents4pharma-1.1.0.dist-info/RECORD,,
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: setuptools (75.4.0)
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+ Generator: setuptools (75.5.0)
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  Root-Is-Purelib: true
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  Tag: py3-none-any
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