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b/aiagents4pharma/talk2biomodels/tools/get_modelinfo.py |
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#!/usr/bin/env python3 |
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""" |
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Tool for get model information. |
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""" |
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import logging |
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from typing import Type, Optional, Annotated |
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from dataclasses import dataclass |
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import basico |
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from pydantic import BaseModel, Field |
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from langchain_core.tools import BaseTool |
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from langchain_core.messages import ToolMessage |
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from langchain_core.tools.base import InjectedToolCallId |
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from langgraph.prebuilt import InjectedState |
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from langgraph.types import Command |
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from .load_biomodel import ModelData, load_biomodel |
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# Initialize logger |
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logging.basicConfig(level=logging.INFO) |
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logger = logging.getLogger(__name__) |
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@dataclass |
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class RequestedModelInfo: |
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""" |
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Dataclass for storing the requested model information. |
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""" |
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species: bool = Field(description="Get species from the model.", default=False) |
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parameters: bool = Field(description="Get parameters from the model.", default=False) |
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compartments: bool = Field(description="Get compartments from the model.", default=False) |
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units: bool = Field(description="Get units from the model.", default=False) |
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description: bool = Field(description="Get description from the model.", default=False) |
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name: bool = Field(description="Get name from the model.", default=False) |
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class GetModelInfoInput(BaseModel): |
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""" |
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Input schema for the GetModelInfo tool. |
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""" |
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requested_model_info: RequestedModelInfo = Field(description="requested model information") |
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sys_bio_model: ModelData = Field(description="model data") |
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tool_call_id: Annotated[str, InjectedToolCallId] |
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state: Annotated[dict, InjectedState] |
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# Note: It's important that every field has type hints. BaseTool is a |
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# Pydantic class and not having type hints can lead to unexpected behavior. |
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class GetModelInfoTool(BaseTool): |
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""" |
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This tool ise used extract model information. |
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""" |
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name: str = "get_modelinfo" |
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description: str = """A tool for extracting name, |
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description, species, parameters, |
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compartments, and units from a model.""" |
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args_schema: Type[BaseModel] = GetModelInfoInput |
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def _run(self, |
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requested_model_info: RequestedModelInfo, |
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tool_call_id: Annotated[str, InjectedToolCallId], |
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state: Annotated[dict, InjectedState], |
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sys_bio_model: Optional[ModelData] = None, |
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) -> Command: |
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""" |
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Run the tool. |
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Args: |
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requested_model_info (RequestedModelInfo): The requested model information. |
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tool_call_id (str): The tool call ID. This is injected by the system. |
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state (dict): The state of the tool. |
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sys_bio_model (ModelData): The model data. |
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Returns: |
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Command: The updated state of the tool. |
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""" |
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logger.log(logging.INFO, |
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"Calling get_modelinfo tool %s, %s", |
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sys_bio_model, |
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requested_model_info) |
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# print (state, 'state') |
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sbml_file_path = state['sbml_file_path'][-1] if len(state['sbml_file_path']) > 0 else None |
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model_obj = load_biomodel(sys_bio_model, |
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sbml_file_path=sbml_file_path) |
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dic_results = {} |
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# Extract species from the model |
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if requested_model_info.species: |
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df_species = basico.model_info.get_species(model=model_obj.copasi_model) |
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if df_species is None: |
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raise ValueError("Unable to extract species from the model.") |
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# Convert index into a column |
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df_species.reset_index(inplace=True) |
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dic_results['Species'] = df_species[ |
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['name', |
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'compartment', |
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'type', |
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'unit', |
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'initial_concentration', |
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'display_name']] |
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# Convert this into a dictionary |
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dic_results['Species'] = dic_results['Species'].to_dict(orient='records') |
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# Extract parameters from the model |
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if requested_model_info.parameters: |
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df_parameters = basico.model_info.get_parameters(model=model_obj.copasi_model) |
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if df_parameters is None: |
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raise ValueError("Unable to extract parameters from the model.") |
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# Convert index into a column |
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df_parameters.reset_index(inplace=True) |
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dic_results['Parameters'] = df_parameters[ |
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['name', |
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'type', |
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'unit', |
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'initial_value', |
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'display_name']] |
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# Convert this into a dictionary |
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dic_results['Parameters'] = dic_results['Parameters'].to_dict(orient='records') |
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# Extract compartments from the model |
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if requested_model_info.compartments: |
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df_compartments = basico.model_info.get_compartments(model=model_obj.copasi_model) |
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dic_results['Compartments'] = df_compartments.index.tolist() |
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dic_results['Compartments'] = ','.join(dic_results['Compartments']) |
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# Extract description from the model |
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if requested_model_info.description: |
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dic_results['Description'] = model_obj.description |
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# Extract description from the model |
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if requested_model_info.name: |
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dic_results['Name'] = model_obj.name |
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# Extract time unit from the model |
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if requested_model_info.units: |
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dic_results['Units'] = basico.model_info.get_model_units(model=model_obj.copasi_model) |
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# Prepare the dictionary of updated state for the model |
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dic_updated_state_for_model = {} |
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for key, value in { |
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"model_id": [sys_bio_model.biomodel_id], |
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"sbml_file_path": [sbml_file_path], |
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}.items(): |
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if value: |
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dic_updated_state_for_model[key] = value |
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return Command( |
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update=dic_updated_state_for_model|{ |
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# update the message history |
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"messages": [ |
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ToolMessage( |
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content=dic_results, |
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tool_call_id=tool_call_id |
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) |
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], |
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} |
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) |