Upload 2 files
Browse files- UI.py +20 -15
- interface.py +192 -197
UI.py
CHANGED
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@@ -3,7 +3,7 @@ import gradio as gr
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import numpy as np # Importar numpy para np.inf
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def create_interface(process_function_for_button):
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with gr.Blocks(theme='gradio/soft') as demo:
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gr.Markdown("# Modelado de Bioprocesos con Ecuaciones Personalizadas y Análisis por IA")
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with gr.Row():
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@@ -16,11 +16,10 @@ def create_interface(process_function_for_button):
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legend_position_ui = gr.Dropdown(
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label="Posición de la leyenda",
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choices=['best', 'upper right', 'upper left', 'lower right', 'lower left', 'center left', 'center right', 'lower center', 'upper center', 'center'],
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value='best'
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)
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with gr.Column(scale=1):
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gr.Markdown("### Conteo de Ecuaciones a Probar")
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# Asegurar que los valores son numéricos y dentro del rango
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biomass_eq_count_ui = gr.Number(label="Biomasa (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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substrate_eq_count_ui = gr.Number(label="Sustrato (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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product_eq_count_ui = gr.Number(label="Producto (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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@@ -30,10 +29,9 @@ def create_interface(process_function_for_button):
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with gr.Row():
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with gr.Column(): # Columna 1 siempre visible
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biomass_eq1_ui = gr.Textbox(label="Ecuación de Biomasa 1", value="Xm * (1 - exp(-um * (t - t_lag)))", lines=2, placeholder="Ej: Xm * (1 - exp(-um * (t - t_lag)))")
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biomass_param1_ui = gr.Textbox(label="Parámetros Biomasa 1", value="Xm, um, t_lag", info="Nombres, coma sep. 't' para tiempo. 'X_val' para X(t) en S/P.")
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biomass_bound1_ui = gr.Textbox(label="Límites Biomasa 1", value="(0, np.inf), (0, np.inf), (0, np.inf)", info="Formato: (low,high). Use np.inf
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# Definir Columnas 2 y 3 fuera del `with` si se manipula su visibilidad programáticamente
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biomass_col2_container = gr.Column(visible=False)
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with biomass_col2_container:
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biomass_eq2_ui = gr.Textbox(label="Ecuación de Biomasa 2", value="X0 * exp(um * t)", lines=2)
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@@ -42,7 +40,7 @@ def create_interface(process_function_for_button):
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biomass_col3_container = gr.Column(visible=False)
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with biomass_col3_container:
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biomass_eq3_ui = gr.Textbox(label="Ecuación de Biomasa 3", lines=2, value="")
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biomass_param3_ui = gr.Textbox(label="Parámetros Biomasa 3", value="")
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biomass_bound3_ui = gr.Textbox(label="Límites Biomasa 3", value="")
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@@ -89,9 +87,10 @@ def create_interface(process_function_for_button):
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# Lógica para mostrar/ocultar campos de ecuación dinámicamente
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def update_eq_visibility(count_value):
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#
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count = int(count_value)
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biomass_eq_count_ui.change(fn=update_eq_visibility, inputs=biomass_eq_count_ui, outputs=[biomass_col2_container, biomass_col3_container])
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substrate_eq_count_ui.change(fn=update_eq_visibility, inputs=substrate_eq_count_ui, outputs=[substrate_col2_container, substrate_col3_container])
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@@ -101,10 +100,11 @@ def create_interface(process_function_for_button):
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gr.Markdown("## Resultados del Análisis")
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with gr.Row():
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image_output = gr.Image(label="Gráfico Generado", type="pil", scale=2, show_download_button=True, height=600)
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with gr.Column(scale=3):
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analysis_output = gr.Markdown(label="Análisis del Modelo por IA")
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all_inputs_for_button = [
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file_input,
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biomass_eq1_ui, biomass_eq2_ui, biomass_eq3_ui,
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)
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# Inicializar visibilidad usando demo.load para que se aplique al cargar la UI
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b_vis2_upd, b_vis3_upd = update_eq_visibility(b_c_int)
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s_vis2_upd, s_vis3_upd = update_eq_visibility(s_c_int)
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p_vis2_upd, p_vis3_upd = update_eq_visibility(p_c_int)
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return b_vis2_upd, b_vis3_upd, s_vis2_upd, s_vis3_upd, p_vis2_upd, p_vis3_upd
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demo.load(
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import numpy as np # Importar numpy para np.inf
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def create_interface(process_function_for_button):
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with gr.Blocks(theme='gradio/soft') as demo:
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gr.Markdown("# Modelado de Bioprocesos con Ecuaciones Personalizadas y Análisis por IA")
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with gr.Row():
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legend_position_ui = gr.Dropdown(
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label="Posición de la leyenda",
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choices=['best', 'upper right', 'upper left', 'lower right', 'lower left', 'center left', 'center right', 'lower center', 'upper center', 'center'],
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value='best'
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)
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with gr.Column(scale=1):
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gr.Markdown("### Conteo de Ecuaciones a Probar")
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biomass_eq_count_ui = gr.Number(label="Biomasa (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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substrate_eq_count_ui = gr.Number(label="Sustrato (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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product_eq_count_ui = gr.Number(label="Producto (1-3)", value=1, minimum=1, maximum=3, step=1, precision=0)
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with gr.Row():
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with gr.Column(): # Columna 1 siempre visible
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biomass_eq1_ui = gr.Textbox(label="Ecuación de Biomasa 1", value="Xm * (1 - exp(-um * (t - t_lag)))", lines=2, placeholder="Ej: Xm * (1 - exp(-um * (t - t_lag)))")
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biomass_param1_ui = gr.Textbox(label="Parámetros Biomasa 1", value="Xm, um, t_lag", info="Nombres, coma sep. Use 't' para tiempo. 'X_val' para X(t) en S/P.")
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biomass_bound1_ui = gr.Textbox(label="Límites Biomasa 1", value="(0, np.inf), (0, np.inf), (0, np.inf)", info="Formato: (low,high). Use np.inf.")
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biomass_col2_container = gr.Column(visible=False)
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with biomass_col2_container:
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biomass_eq2_ui = gr.Textbox(label="Ecuación de Biomasa 2", value="X0 * exp(um * t)", lines=2)
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biomass_col3_container = gr.Column(visible=False)
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with biomass_col3_container:
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biomass_eq3_ui = gr.Textbox(label="Ecuación de Biomasa 3", lines=2, value="")
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biomass_param3_ui = gr.Textbox(label="Parámetros Biomasa 3", value="")
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biomass_bound3_ui = gr.Textbox(label="Límites Biomasa 3", value="")
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# Lógica para mostrar/ocultar campos de ecuación dinámicamente
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def update_eq_visibility(count_value):
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# Asegurar que el valor es entero antes de la comparación
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count = int(count_value)
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# Retorna diccionarios de actualización para `gr.update`
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return { "visible": count >= 2 }, { "visible": count >= 3 }
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biomass_eq_count_ui.change(fn=update_eq_visibility, inputs=biomass_eq_count_ui, outputs=[biomass_col2_container, biomass_col3_container])
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substrate_eq_count_ui.change(fn=update_eq_visibility, inputs=substrate_eq_count_ui, outputs=[substrate_col2_container, substrate_col3_container])
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gr.Markdown("## Resultados del Análisis")
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with gr.Row():
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image_output = gr.Image(label="Gráfico Generado", type="pil", scale=2, show_download_button=True, height=600)
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with gr.Column(scale=3):
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analysis_output = gr.Markdown(label="Análisis del Modelo por IA")
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# Lista de todos los inputs para el botón de submit
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all_inputs_for_button = [
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file_input,
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biomass_eq1_ui, biomass_eq2_ui, biomass_eq3_ui,
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)
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# Inicializar visibilidad usando demo.load para que se aplique al cargar la UI
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# Esto asegura que el estado inicial de visibilidad es correcto
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def set_initial_visibility_on_load_wrapper(b_c_val, s_c_val, p_c_val):
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# Obtener los valores iniciales de los gr.Number components
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# y aplicar la lógica de visibilidad.
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# Los valores de los Number inputs pueden ser float, convertirlos a int
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b_c_int, s_c_int, p_c_int = int(b_c_val), int(s_c_val), int(p_c_val)
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b_vis2_upd, b_vis3_upd = update_eq_visibility(b_c_int)
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s_vis2_upd, s_vis3_upd = update_eq_visibility(s_c_int)
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p_vis2_upd, p_vis3_upd = update_eq_visibility(p_c_int)
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return b_vis2_upd, b_vis3_upd, s_vis2_upd, s_vis3_upd, p_vis2_upd, p_vis3_upd
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demo.load(
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interface.py
CHANGED
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@@ -2,44 +2,33 @@
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import numpy as np
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import pandas as pd
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import matplotlib
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matplotlib.use('Agg')
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import matplotlib.pyplot as plt
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from PIL import Image
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import io
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import json
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import traceback
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from
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# from decorators import gpu_decorator # El decorador @gpu es de HF Spaces, Modal lo maneja diferente
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# Variables globales
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USE_MODAL_FOR_LLM_ANALYSIS = False
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generate_analysis_from_modal = None
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def parse_bounds_str(bounds_str_input, num_params):
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# Manejar el caso de cadena vacía o solo espacios en blanco
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if not bounds_str.strip():
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print(f"Cadena de límites vacía para {num_params} params. Usando límites (-inf, inf).")
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return [-np.inf] * num_params, [np.inf] * num_params
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try:
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#
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bounds_str = bounds_str.lower().replace('inf', 'np.inf')
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# Evaluar la cadena para convertirla en una lista de tuplas o listas
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# Ejemplo de entrada esperada: " (0, np.inf), (0,10), (np.nan, np.nan) "
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# Asegurar que esté encerrado en corchetes para que eval produzca una lista
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if not bounds_str.startswith('['):
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bounds_str = f"[{bounds_str}]"
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parsed_bounds_list = eval(bounds_str)
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if not isinstance(parsed_bounds_list, list):
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raise ValueError("La cadena de límites no evaluó a una lista.")
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for item in parsed_bounds_list:
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if not (isinstance(item, (tuple, list)) and len(item) == 2):
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raise ValueError(f"Cada límite debe ser una tupla/lista de dos elementos (low, high). Se encontró: {item}")
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low = -np.inf if (item[0] is None or (isinstance(item[0], float) and np.isnan(item[0]))) else float(item[0])
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high = np.inf if (item[1] is None or (isinstance(item[1], float) and np.isnan(item[1]))) else float(item[1])
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lower_bounds.append(low)
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upper_bounds.append(high)
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def call_llm_analysis_service(prompt: str) -> str:
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"""Llama al servicio LLM (ya sea localmente o a través de Modal)."""
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if USE_MODAL_FOR_LLM_ANALYSIS and generate_analysis_from_modal:
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print("interface.py: Usando la función de análisis LLM de Modal...")
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try:
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# La función wrapper en modal_app.py obtiene MODEL_PATH y MAX_LENGTH de config.py
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return generate_analysis_from_modal(prompt)
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except Exception as e_modal_call:
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print(f"Error llamando a la función Modal LLM: {e_modal_call}")
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return f"Error al contactar el servicio de análisis IA (Modal): {e_modal_call}"
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else:
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# --- Implementación de Fallback (o si no se usa Modal) ---
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print("interface.py: Usando la función de análisis LLM local (fallback)...")
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try:
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# Esta parte necesitaría que cargues el modelo localmente
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# como lo hacías en tu versión original de interface.py
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from config import MODEL_PATH, MAX_LENGTH, DEVICE # Importar configuración local
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from transformers import AutoTokenizer, AutoModelForCausalLM # Importaciones locales
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print(f"Fallback: Cargando modelo {MODEL_PATH} localmente en {DEVICE}...")
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tokenizer_local = AutoTokenizer.from_pretrained(MODEL_PATH)
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model_local = AutoModelForCausalLM.from_pretrained(MODEL_PATH).to(DEVICE)
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outputs = model_local.generate(
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**inputs,
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max_new_tokens=MAX_LENGTH,
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return analysis.strip()
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except Exception as e_local_llm:
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print(f"Error en el fallback LLM local: {e_local_llm}")
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return f"Análisis (fallback local): Error al cargar/ejecutar modelo LLM local: {e_local_llm}."
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def process_and_plot(
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file_obj,
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# Entradas de la UI (desempaquetadas)
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biomass_eq1_ui, biomass_eq2_ui, biomass_eq3_ui,
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biomass_param1_ui, biomass_param2_ui, biomass_param3_ui,
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biomass_bound1_ui, biomass_bound2_ui, biomass_bound3_ui,
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substrate_eq_count_ui,
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product_eq_count_ui
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):
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for i in range(len(eq_list)):
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eq_str = eq_list[i]
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param_s = param_str_list[i]
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bound_s = bound_str_list[i]
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if not eq_str or not param_s:
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print(f"Ecuación o parámetros vacíos para {model_type} #{i+1}, saltando.")
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continue
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print(f"Procesando {model_type} #{i+1}: Eq='{eq_str}', Params='{param_s}'")
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y_pred, popt = model_handler.fit_model(model_type, time_data, exp_data, bounds=(l_b, u_b), biomass_params_fitted=current_biomass_params)
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1. **Resumen General:** Una breve descripción del experimento y qué se intentó modelar.
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2. **Análisis por Componente (Biomasa, Sustrato, Producto):**
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a. Para cada ecuación probada:
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@@ -294,13 +283,19 @@ def process_and_plot(
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4. **Sugerencias y Próximos Pasos:**
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a. ¿Cómo se podría mejorar el modelado (ej. probar otras ecuaciones, transformar datos, revisar calidad de datos experimentales)?
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b. ¿Qué experimentos adicionales podrían realizarse para validar o refinar los modelos?
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-
5. **Conclusión Final:** Un veredicto general sobre el éxito del modelado y la utilidad de los resultados obtenidos.
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Utiliza un lenguaje claro y accesible, pero manteniendo el rigor técnico. El análisis debe ser útil para alguien que busca entender la cinética de su bioproceso."""
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import numpy as np
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import pandas as pd
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import matplotlib
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+
matplotlib.use('Agg')
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import matplotlib.pyplot as plt
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from PIL import Image
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import io
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import json
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+
import traceback
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+
from models import BioprocessModel # Asegúrate que esto apunta a tu models.py
|
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+
# from decorators import gpu_decorator # Mantener comentado si usas Modal
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+
# Variables globales inyectadas por modal_app.py o app.py
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USE_MODAL_FOR_LLM_ANALYSIS = False
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+
generate_analysis_from_modal = None
|
| 18 |
|
| 19 |
def parse_bounds_str(bounds_str_input, num_params):
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| 20 |
+
bounds_str = str(bounds_str_input).strip()
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+
if not bounds_str:
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+
print(f"Cadena de límites vacía para {num_params} params. Usando (-inf, inf).")
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return [-np.inf] * num_params, [np.inf] * num_params
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|
| 25 |
try:
|
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+
bounds_str = bounds_str.lower().replace('inf', 'np.inf').replace('none', 'None')
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+
if not (bounds_str.startswith('[') and bounds_str.endswith(']')): # Asegurar que sea una lista
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| 28 |
bounds_str = f"[{bounds_str}]"
|
| 29 |
|
| 30 |
+
parsed_bounds_list = eval(bounds_str, {'np': np, 'inf': np.inf, 'None': None}) # Evaluar con np
|
| 31 |
+
|
| 32 |
if not isinstance(parsed_bounds_list, list):
|
| 33 |
raise ValueError("La cadena de límites no evaluó a una lista.")
|
| 34 |
|
|
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|
| 40 |
for item in parsed_bounds_list:
|
| 41 |
if not (isinstance(item, (tuple, list)) and len(item) == 2):
|
| 42 |
raise ValueError(f"Cada límite debe ser una tupla/lista de dos elementos (low, high). Se encontró: {item}")
|
| 43 |
+
|
| 44 |
+
# Convertir a float y manejar None/np.nan
|
| 45 |
low = -np.inf if (item[0] is None or (isinstance(item[0], float) and np.isnan(item[0]))) else float(item[0])
|
| 46 |
high = np.inf if (item[1] is None or (isinstance(item[1], float) and np.isnan(item[1]))) else float(item[1])
|
| 47 |
+
|
| 48 |
lower_bounds.append(low)
|
| 49 |
upper_bounds.append(high)
|
| 50 |
|
|
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|
| 55 |
|
| 56 |
|
| 57 |
def call_llm_analysis_service(prompt: str) -> str:
|
|
|
|
| 58 |
if USE_MODAL_FOR_LLM_ANALYSIS and generate_analysis_from_modal:
|
| 59 |
print("interface.py: Usando la función de análisis LLM de Modal...")
|
| 60 |
try:
|
|
|
|
| 61 |
return generate_analysis_from_modal(prompt)
|
| 62 |
except Exception as e_modal_call:
|
| 63 |
print(f"Error llamando a la función Modal LLM: {e_modal_call}")
|
| 64 |
+
traceback.print_exc() # Imprimir el traceback de la llamada a Modal
|
| 65 |
return f"Error al contactar el servicio de análisis IA (Modal): {e_modal_call}"
|
| 66 |
else:
|
|
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|
| 67 |
print("interface.py: Usando la función de análisis LLM local (fallback)...")
|
| 68 |
try:
|
|
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|
|
|
|
| 69 |
from config import MODEL_PATH, MAX_LENGTH, DEVICE # Importar configuración local
|
| 70 |
from transformers import AutoTokenizer, AutoModelForCausalLM # Importaciones locales
|
| 71 |
|
| 72 |
print(f"Fallback: Cargando modelo {MODEL_PATH} localmente en {DEVICE}...")
|
| 73 |
tokenizer_local = AutoTokenizer.from_pretrained(MODEL_PATH)
|
| 74 |
+
model_local = AutoModelForCausalLM.from_pretrained(MODEL_PATH).to(DEVICE)
|
| 75 |
|
| 76 |
+
model_context_window = getattr(model_local.config, 'max_position_embeddings', getattr(model_local.config, 'sliding_window', 4096))
|
| 77 |
+
max_prompt_len = model_context_window - MAX_LENGTH - 50
|
| 78 |
+
if max_prompt_len <= 0 : max_prompt_len = model_context_window // 2
|
| 79 |
+
|
| 80 |
+
inputs = tokenizer_local(prompt, return_tensors="pt", truncation=True, max_length=max_prompt_len).to(DEVICE)
|
| 81 |
+
with torch.no_grad():
|
| 82 |
outputs = model_local.generate(
|
| 83 |
**inputs,
|
| 84 |
max_new_tokens=MAX_LENGTH,
|
|
|
|
| 91 |
return analysis.strip()
|
| 92 |
except Exception as e_local_llm:
|
| 93 |
print(f"Error en el fallback LLM local: {e_local_llm}")
|
| 94 |
+
traceback.print_exc()
|
| 95 |
return f"Análisis (fallback local): Error al cargar/ejecutar modelo LLM local: {e_local_llm}."
|
| 96 |
|
| 97 |
+
|
| 98 |
def process_and_plot(
|
| 99 |
+
file_obj,
|
|
|
|
| 100 |
biomass_eq1_ui, biomass_eq2_ui, biomass_eq3_ui,
|
| 101 |
biomass_param1_ui, biomass_param2_ui, biomass_param3_ui,
|
| 102 |
biomass_bound1_ui, biomass_bound2_ui, biomass_bound3_ui,
|
|
|
|
| 113 |
substrate_eq_count_ui,
|
| 114 |
product_eq_count_ui
|
| 115 |
):
|
| 116 |
+
try: # Bloque try-except general para capturar cualquier error y retornar consistentemente
|
| 117 |
+
analysis_text = "Iniciando análisis..."
|
| 118 |
+
default_image = Image.new('RGB', (600, 400), color = 'white') # Imagen placeholder
|
| 119 |
+
|
| 120 |
+
if file_obj is None:
|
| 121 |
+
return default_image, "Error: Por favor, sube un archivo Excel."
|
| 122 |
+
|
| 123 |
+
try:
|
| 124 |
+
df = pd.read_excel(file_obj.name)
|
| 125 |
+
except Exception as e:
|
| 126 |
+
return default_image, f"Error al leer el archivo Excel: {e}\n{traceback.format_exc()}"
|
| 127 |
+
|
| 128 |
+
expected_cols = ['Tiempo', 'Biomasa', 'Sustrato', 'Producto']
|
| 129 |
+
for col in expected_cols:
|
| 130 |
+
if col not in df.columns:
|
| 131 |
+
return default_image, f"Error: La columna '{col}' no se encuentra en el archivo Excel."
|
| 132 |
+
|
| 133 |
+
time_data = df['Tiempo'].values
|
| 134 |
+
biomass_data_exp = df['Biomasa'].values
|
| 135 |
+
substrate_data_exp = df['Sustrato'].values
|
| 136 |
+
product_data_exp = df['Producto'].values
|
| 137 |
+
|
| 138 |
+
active_biomass_eqs = int(biomass_eq_count_ui)
|
| 139 |
+
active_substrate_eqs = int(substrate_eq_count_ui)
|
| 140 |
+
active_product_eqs = int(product_eq_count_ui)
|
| 141 |
+
|
| 142 |
+
all_eq_inputs = {
|
| 143 |
+
'biomass': (
|
| 144 |
+
[biomass_eq1_ui, biomass_eq2_ui, biomass_eq3_ui][:active_biomass_eqs],
|
| 145 |
+
[biomass_param1_ui, biomass_param2_ui, biomass_param3_ui][:active_biomass_eqs],
|
| 146 |
+
[biomass_bound1_ui, biomass_bound2_ui, biomass_bound3_ui][:active_biomass_eqs],
|
| 147 |
+
biomass_data_exp
|
| 148 |
+
),
|
| 149 |
+
'substrate': (
|
| 150 |
+
[substrate_eq1_ui, substrate_eq2_ui, substrate_eq3_ui][:active_substrate_eqs],
|
| 151 |
+
[substrate_param1_ui, substrate_param2_ui, substrate_param3_ui][:active_substrate_eqs],
|
| 152 |
+
[substrate_bound1_ui, substrate_bound2_ui, substrate_bound3_ui][:active_substrate_eqs],
|
| 153 |
+
substrate_data_exp
|
| 154 |
+
),
|
| 155 |
+
'product': (
|
| 156 |
+
[product_eq1_ui, product_eq2_ui, product_eq3_ui][:active_product_eqs],
|
| 157 |
+
[product_param1_ui, product_param2_ui, product_param3_ui][:active_product_eqs],
|
| 158 |
+
[product_bound1_ui, product_bound2_ui, product_bound3_ui][:active_product_eqs],
|
| 159 |
+
product_data_exp
|
| 160 |
+
)
|
| 161 |
+
}
|
| 162 |
+
|
| 163 |
+
model_handler = BioprocessModel()
|
| 164 |
+
|
| 165 |
+
fitted_results_for_plot = {'biomass': [], 'substrate': [], 'product': []}
|
| 166 |
+
results_for_llm_prompt = {'biomass': [], 'substrate': [], 'product': []}
|
| 167 |
+
biomass_params_for_s_p = None
|
| 168 |
+
|
| 169 |
+
for model_type, (eq_list, param_str_list, bound_str_list, exp_data) in all_eq_inputs.items():
|
| 170 |
+
if not np.any(exp_data) and len(exp_data) > 0: # Check if all data points are zero or NaN
|
| 171 |
+
print(f"Datos experimentales para {model_type} son todos cero o NaN, saltando ajuste.")
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 172 |
continue
|
|
|
|
|
|
|
| 173 |
|
| 174 |
+
for i in range(len(eq_list)):
|
| 175 |
+
eq_str = eq_list[i]
|
| 176 |
+
param_s = param_str_list[i]
|
| 177 |
+
bound_s = bound_str_list[i]
|
| 178 |
+
|
| 179 |
+
if not eq_str or not param_s:
|
| 180 |
+
print(f"Ecuación o parámetros vacíos para {model_type} #{i+1}, saltando.")
|
| 181 |
+
continue
|
|
|
|
| 182 |
|
| 183 |
+
print(f"Procesando {model_type} #{i+1}: Eq='{eq_str}', Params='{param_s}'")
|
| 184 |
+
|
| 185 |
+
try:
|
| 186 |
+
model_handler.set_model(model_type, eq_str, param_s)
|
| 187 |
+
num_p = len(model_handler.models[model_type]['params'])
|
| 188 |
+
l_b, u_b = parse_bounds_str(bound_s, num_p)
|
| 189 |
+
|
| 190 |
+
current_biomass_params = biomass_params_for_s_p if model_type in ['substrate', 'product'] else None
|
| 191 |
+
|
| 192 |
+
y_pred, popt = model_handler.fit_model(model_type, time_data, exp_data, bounds=(l_b, u_b), biomass_params_fitted=current_biomass_params)
|
| 193 |
+
|
| 194 |
+
current_params = model_handler.params[model_type]
|
| 195 |
+
r2_val = model_handler.r2.get(model_type, float('nan'))
|
| 196 |
+
rmse_val = model_handler.rmse.get(model_type, float('nan'))
|
| 197 |
+
|
| 198 |
+
fitted_results_for_plot[model_type].append({
|
| 199 |
+
'equation': eq_str,
|
| 200 |
+
'y_pred': y_pred,
|
| 201 |
+
'params': current_params,
|
| 202 |
+
'R2': r2_val
|
| 203 |
+
})
|
| 204 |
+
results_for_llm_prompt[model_type].append({
|
| 205 |
+
'equation': eq_str,
|
| 206 |
+
'params_fitted': current_params,
|
| 207 |
+
'R2': r2_val,
|
| 208 |
+
'RMSE': rmse_val
|
| 209 |
+
})
|
| 210 |
+
|
| 211 |
+
if model_type == 'biomass' and biomass_params_for_s_p is None:
|
| 212 |
+
biomass_params_for_s_p = current_params
|
| 213 |
+
print(f"Parámetros de Biomasa (para S/P): {biomass_params_for_s_p}")
|
| 214 |
+
|
| 215 |
+
except Exception as e:
|
| 216 |
+
error_msg = f"Error ajustando {model_type} #{i+1} ('{eq_str}'): {e}\n{traceback.format_exc()}"
|
| 217 |
+
print(error_msg)
|
| 218 |
+
return default_image, error_msg
|
| 219 |
+
|
| 220 |
+
# Generar gráfico
|
| 221 |
+
fig, axs = plt.subplots(3, 1, figsize=(10, 18), sharex=True)
|
| 222 |
+
plot_config = {
|
| 223 |
+
axs[0]: (biomass_data_exp, 'Biomasa', fitted_results_for_plot['biomasa']),
|
| 224 |
+
axs[1]: (substrate_data_exp, 'Sustrato', fitted_results_for_plot['sustrato']),
|
| 225 |
+
axs[2]: (product_data_exp, 'Producto', fitted_results_for_plot['producto'])
|
| 226 |
+
}
|
| 227 |
+
|
| 228 |
+
for ax, data_actual, ylabel, plot_results_list in plot_config.items():
|
| 229 |
+
if np.any(data_actual): # Solo plotear si hay datos
|
| 230 |
+
ax.plot(time_data, data_actual, 'o', label=f'Datos {ylabel}', markersize=5, alpha=0.7)
|
| 231 |
+
else:
|
| 232 |
+
ax.text(0.5, 0.5, f"No hay datos para {ylabel}", transform=ax.transAxes, ha='center', va='center', fontsize=12, color='gray')
|
| 233 |
+
|
|
|
|
| 234 |
for idx, res_detail in enumerate(plot_results_list):
|
| 235 |
+
label = f'Modelo {idx+1} (R²:{res_detail["R2"]:.3f})'
|
| 236 |
+
ax.plot(time_data, res_detail['y_pred'], '-', label=label, linewidth=2)
|
| 237 |
+
ax.set_xlabel('Tiempo')
|
| 238 |
+
ax.set_ylabel(ylabel)
|
| 239 |
+
ax.grid(True, linestyle=':', alpha=0.7)
|
| 240 |
+
if show_legend_ui:
|
| 241 |
+
ax.legend(loc=legend_position_ui, fontsize='small')
|
| 242 |
|
| 243 |
+
if show_params_ui and plot_results_list:
|
| 244 |
+
param_display_texts = []
|
| 245 |
+
for idx, res_detail in enumerate(plot_results_list):
|
| 246 |
+
params_text = f"Modelo {idx+1}:\n" + "\n".join([f" {k}: {v:.4g}" for k,v in res_detail['params'].items()])
|
| 247 |
+
param_display_texts.append(params_text)
|
| 248 |
+
full_param_text = "\n---\n".join(param_display_texts)
|
| 249 |
+
|
| 250 |
+
text_x_pos = 0.02
|
| 251 |
+
text_y_pos = 0.98
|
| 252 |
+
v_align = 'top'
|
| 253 |
+
if legend_position_ui and 'upper' in legend_position_ui:
|
| 254 |
+
text_y_pos = 0.02
|
| 255 |
+
v_align = 'bottom'
|
| 256 |
+
|
| 257 |
+
ax.text(text_x_pos, text_y_pos, full_param_text, transform=ax.transAxes, fontsize=7,
|
| 258 |
+
verticalalignment=v_align, bbox=dict(boxstyle='round,pad=0.3', fc='lightyellow', alpha=0.8))
|
| 259 |
+
|
| 260 |
+
plt.tight_layout(rect=[0, 0, 1, 0.96])
|
| 261 |
+
fig.suptitle("Resultados del Ajuste de Modelos Cinéticos", fontsize=16)
|
| 262 |
+
|
| 263 |
+
buf = io.BytesIO()
|
| 264 |
+
plt.savefig(buf, format='png', dpi=150)
|
| 265 |
+
buf.seek(0)
|
| 266 |
+
image = Image.open(buf)
|
| 267 |
+
plt.close(fig)
|
| 268 |
+
|
| 269 |
+
# Construir prompt para LLM y llamar al servicio
|
| 270 |
+
prompt_intro = "Eres un experto en modelado cinético de bioprocesos. Analiza los siguientes resultados del ajuste de modelos a datos experimentales:\n\n"
|
| 271 |
+
prompt_details = json.dumps(results_for_llm_prompt, indent=2, ensure_ascii=False)
|
| 272 |
+
prompt_instructions = """\n\nPor favor, proporciona un análisis detallado y crítico en español, estructurado de la siguiente manera:
|
| 273 |
1. **Resumen General:** Una breve descripción del experimento y qué se intentó modelar.
|
| 274 |
2. **Análisis por Componente (Biomasa, Sustrato, Producto):**
|
| 275 |
a. Para cada ecuación probada:
|
|
|
|
| 283 |
4. **Sugerencias y Próximos Pasos:**
|
| 284 |
a. ¿Cómo se podría mejorar el modelado (ej. probar otras ecuaciones, transformar datos, revisar calidad de datos experimentales)?
|
| 285 |
b. ¿Qué experimentos adicionales podrían realizarse para validar o refinar los modelos?
|
| 286 |
+
5. **Conclusión Final:** Un veredicto general conciso sobre el éxito del modelado y la utilidad de los resultados obtenidos.
|
| 287 |
|
| 288 |
Utiliza un lenguaje claro y accesible, pero manteniendo el rigor técnico. El análisis debe ser útil para alguien que busca entender la cinética de su bioproceso."""
|
| 289 |
+
|
| 290 |
+
full_prompt = prompt_intro + prompt_details + prompt_instructions
|
| 291 |
+
|
| 292 |
+
analysis_text = call_llm_analysis_service(full_prompt)
|
| 293 |
+
|
| 294 |
+
return image, analysis_text
|
| 295 |
|
| 296 |
+
except Exception as general_e:
|
| 297 |
+
# Captura cualquier excepción no manejada y la muestra en la UI
|
| 298 |
+
error_trace = traceback.format_exc()
|
| 299 |
+
error_message_full = f"Error inesperado en process_and_plot: {general_e}\n{error_trace}"
|
| 300 |
+
print(error_message_full)
|
| 301 |
+
return Image.new('RGB', (600, 400), color = 'red'), error_message_full # Retorna imagen roja de error
|