Добавлена функция передачи данных калькулятора в расчёт полнофакторного анализа
This commit is contained in:
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"""Цифровой помощник биохимика - основная библиотека"""
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__version__ = "1.0.0"
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from .medium_controller import MediumController
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from .experiment_controller import ExperimentController
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__all__ = ['MediumController', 'ExperimentController']
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from ..models.experiment_model import ExperimentModel
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class ExperimentController:
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def __init__(self, view):
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self.model = ExperimentModel()
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self.view = view
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def update_model_from_view(self):
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factors = self.view.get_factors_data()
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self.model.set_factors(factors)
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responses = []
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for row in range(self.view.responses_table.rowCount()):
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name_item = self.view.responses_table.item(row, 0)
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unit_item = self.view.responses_table.item(row, 1)
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if name_item:
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responses.append({
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'name': name_item.text(),
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'unit': unit_item.text() if unit_item else ""
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})
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self.model.set_responses(responses)
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self.model.set_center_points(self.view.center_points_spin.value())
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self.model.set_randomize(self.view.randomize_check.isChecked())
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from PyQt5.QtWidgets import QFileDialog, QMessageBox, QTableWidgetItem, QComboBox
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from PyQt5.QtCore import Qt
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from PyQt5.QtGui import QColor
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import json
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from ..models.medium_model import MediumModel
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from ..models.reagent import Reagent
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class MediumController:
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def __init__(self, view):
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self.model = MediumModel()
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self.view = view
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self._connect_signals()
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self._setup_initial_data()
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def _connect_signals(self):
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self.view.add_row_btn.clicked.connect(self.add_reagent_row)
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self.view.remove_row_btn.clicked.connect(self.remove_reagent_row)
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self.view.calculate_btn.clicked.connect(self._perform_calculation)
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self.view.save_btn.clicked.connect(self.save_composition)
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self.view.load_btn.clicked.connect(self.load_composition)
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self.view.solvent_input.textChanged.connect(self.view.update_solvent_name)
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def _setup_initial_data(self):
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self.view.add_initial_rows()
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def add_reagent_row(self):
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self.view.add_new_row()
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def remove_reagent_row(self):
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self.view.remove_selected_row()
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def _perform_calculation(self):
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try:
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self._update_model_from_view()
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results, solvent_amount, solvent_percentage = self.model.calculate_amounts()
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self.view.update_results(results)
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self.view.update_solvent_result(solvent_amount, self.model.amount_unit)
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self.view.update_solvent_percent(solvent_percentage)
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except ValueError as e:
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self.view.show_error(f"Ошибка в данных: {str(e)}")
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except Exception as e:
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self.view.show_error(f"Неожиданная ошибка: {str(e)}")
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def _update_model_from_view(self):
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self.model.reagents.clear()
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self.model.total_amount = self.view.amount_input.value()
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self.model.amount_unit = self.view.amount_unit_combo.currentText()
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self.model.solvent = self.view.solvent_input.text()
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for row in range(1, self.view.table.rowCount()):
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name_item = self.view.table.item(row, 0)
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percentage_item = self.view.table.item(row, 1)
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unit_widget = self.view.table.cellWidget(row, 2)
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conversion_item = self.view.table.item(row, 3)
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dilution_item = self.view.table.item(row, 4)
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if not all([name_item, percentage_item, conversion_item]):
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continue
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try:
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name = name_item.text()
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percentage = float(percentage_item.text())
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unit = unit_widget.currentText() if unit_widget else "мг"
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conversion_factor = float(conversion_item.text())
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dilution_factor = float(dilution_item.text()) if dilution_item else 1.0
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reagent = Reagent(name, percentage, unit, conversion_factor)
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reagent.dilution_factor = dilution_factor
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self.model.reagents.append(reagent)
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except ValueError as e:
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raise ValueError(f"Ошибка в строке {row + 1}: {str(e)}")
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def save_composition(self):
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filename, _ = QFileDialog.getSaveFileName(self.view, "Сохранить состав среды", "", "JSON Files (*.json);;All Files (*)")
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if filename:
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if not filename.lower().endswith('.json'):
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filename += '.json'
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try:
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self._update_model_from_view()
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self.model.save_to_file(filename)
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QMessageBox.information(self.view, "Успех", "Состав среды успешно сохранён!")
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except Exception as e:
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self.view.show_error(f"Ошибка сохранения: {str(e)}")
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def load_composition(self):
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filename, _ = QFileDialog.getOpenFileName(self.view, "Загрузить состав среды", "", "JSON Files (*.json);;All Files (*)")
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if filename:
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try:
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self.model.load_from_file(filename)
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self._update_view_from_model()
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QMessageBox.information(self.view, "Успех", "Состав среды успешно загружен")
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except FileNotFoundError:
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QMessageBox.critical(self.view, "Ошибка", f"Файл не найден: {filename}")
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except json.JSONDecodeError as e:
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QMessageBox.critical(self.view, "Ошибка", f"Неверный формат JSON-файла: {str(e)}")
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except Exception as e:
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QMessageBox.critical(self.view, "Ошибка", f"Ошибка при загрузке состава: {str(e)}")
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def _update_view_from_model(self):
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while self.view.table.rowCount() > 1:
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self.view.table.removeRow(1)
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if self.view.table.rowCount() == 0:
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self.view.add_solvent_row()
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self.view.amount_input.setValue(self.model.total_amount)
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index = self.view.amount_unit_combo.findText(self.model.amount_unit)
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if index >= 0:
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self.view.amount_unit_combo.setCurrentIndex(index)
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self.view.solvent_input.setText(self.model.solvent)
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self.view.update_solvent_name()
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for reagent in self.model.reagents:
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row = self.view.table.rowCount()
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self.view.table.insertRow(row)
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self.view.table.setItem(row, 0, QTableWidgetItem(reagent.name))
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self.view.table.setItem(row, 1, QTableWidgetItem(f"{reagent.percentage:.2f}"))
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unit_combo = QComboBox()
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unit_combo.addItems(["нг", "мкг", "мг", "г", "кг", "нл", "мкл", "мл", "л"])
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unit_combo.setCurrentText(reagent.unit)
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self.view.table.setCellWidget(row, 2, unit_combo)
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self.view.table.setItem(row, 3, QTableWidgetItem(f"{reagent.conversion_factor:.2f}"))
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self.view.table.setItem(row, 4, QTableWidgetItem(f"{getattr(reagent, 'dilution_factor', 1.0):.3f}"))
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self.view.table.setItem(row, 5, QTableWidgetItem(""))
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self.view.clear_results()
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from .reagent import Reagent
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from .medium_model import MediumModel
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from .experiment_model import ExperimentModel
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__all__ = ['Reagent', 'MediumModel', 'ExperimentModel']
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import numpy as np
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from typing import List, Dict, Any
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class ExperimentModel:
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def __init__(self):
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self.factors = []
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self.responses = []
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self.center_points = 3
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self.randomize = True
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def set_factors(self, factors: List[Dict]):
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self.factors = factors
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def set_responses(self, responses: List[Dict]):
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self.responses = responses
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def set_center_points(self, n: int):
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self.center_points = n
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def set_randomize(self, value: bool):
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self.randomize = value
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def calculate_factorial_design(self) -> List[Dict]:
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k = len(self.factors)
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if k == 0:
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return []
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n_factorial = 2 ** k
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design = []
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for i in range(n_factorial):
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experiment = {}
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for j in range(k):
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coded_level = -1 if (i >> (k - 1 - j)) & 1 == 0 else 1
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natural_value = self.factors[j]['low'] if coded_level == -1 else self.factors[j]['high']
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experiment[f"Фактор_{j+1}"] = {
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'coded': coded_level,
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'natural': natural_value,
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'name': self.factors[j]['name'],
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'unit': self.factors[j]['unit']
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}
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design.append(experiment)
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for i in range(self.center_points):
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center_experiment = {}
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for j in range(k):
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center_experiment[f"Фактор_{j+1}"] = {
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'coded': 0,
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'natural': self.factors[j]['center'],
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'name': self.factors[j]['name'],
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'unit': self.factors[j]['unit']
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}
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center_experiment['is_center'] = True
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center_experiment['center_num'] = i + 1
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design.append(center_experiment)
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if self.randomize:
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import random
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random.shuffle(design)
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return design
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def analyze_results(self, results: List[List[float]], design: List[Dict]) -> Dict:
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analysis = {}
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for resp_idx, response in enumerate(self.responses):
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resp_name = response.get('name', f'Отклик_{resp_idx+1}')
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y_values = [results[i][resp_idx] for i in range(len(results))]
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mean_y = np.mean(y_values)
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variance = np.var(y_values, ddof=1) if len(y_values) > 1 else 0
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std_dev = np.std(y_values, ddof=1) if len(y_values) > 1 else 0
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cv = (std_dev / mean_y) * 100 if mean_y != 0 else 0
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factorial_y = []
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center_y = []
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for i, exp in enumerate(design):
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if exp.get('is_center', False):
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center_y.append(y_values[i])
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else:
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factorial_y.append(y_values[i])
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center_variance = np.var(center_y, ddof=1) if len(center_y) > 1 else 0
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analysis[resp_name] = {
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'mean': mean_y, 'variance': variance, 'std_dev': std_dev, 'cv': cv,
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'factorial_values': factorial_y, 'center_values': center_y, 'center_variance': center_variance,
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'n_factorial': len(factorial_y), 'n_center': len(center_y)
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}
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return analysis
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@@ -0,0 +1,113 @@
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import json
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from typing import List, Tuple
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from .reagent import Reagent
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VOLUME_UNITS = {
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'нл': 0.001, 'мкл': 1.0, 'мл': 1000.0, 'л': 1000000.0
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}
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MASS_UNITS = {
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'нг': 0.000001, 'мкг': 0.001, 'мг': 1.0, 'г': 1000.0, 'кг': 1000000.0
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}
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class MediumModel:
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def __init__(self):
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self.total_amount = 100.0
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self.amount_unit = 'мл'
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self.solvent = 'Вода'
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self.reagents = []
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def convert_amount(self, amount_base: float, target_unit: str, is_volume: bool) -> float:
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if is_volume:
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conversion_factor = VOLUME_UNITS.get(target_unit, 1.0)
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else:
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conversion_factor = MASS_UNITS.get(target_unit, 1.0)
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return amount_base / conversion_factor
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def calculate_amounts(self) -> Tuple[List[float], float, float]:
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results = []
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if not self.reagents:
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return results, self.total_amount, 100.0
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total_percentage = sum(r.percentage for r in self.reagents)
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if total_percentage > 100:
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raise ValueError(f"Сумма процентов реагентов ({total_percentage:.2f}%) превышает 100%")
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total_in_base = self.total_amount * VOLUME_UNITS[self.amount_unit]
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undiluted_amounts = []
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for reagent in self.reagents:
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amount_in_base = (reagent.percentage / 100) * total_in_base
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is_volume = reagent.unit in VOLUME_UNITS
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adjusted_amount = amount_in_base * reagent.conversion_factor
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final_amount = self.convert_amount(adjusted_amount, reagent.unit, is_volume)
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undiluted_amounts.append(final_amount)
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diluted_amounts = []
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total_diluted_volume_base = 0
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for i, reagent in enumerate(self.reagents):
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dilution_factor = getattr(reagent, 'dilution_factor', 1.0)
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if dilution_factor <= 0:
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dilution_factor = 1.0
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diluted_amount = undiluted_amounts[i] * dilution_factor
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diluted_amounts.append(diluted_amount)
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is_volume = reagent.unit in VOLUME_UNITS
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if is_volume:
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reagent_volume_base = diluted_amount * VOLUME_UNITS[reagent.unit]
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else:
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reagent_volume_base = 0
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total_diluted_volume_base += reagent_volume_base
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solvent_volume_base = total_in_base - total_diluted_volume_base
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solvent_amount = solvent_volume_base / VOLUME_UNITS[self.amount_unit]
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if solvent_amount < 0:
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solvent_amount = 0
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solvent_percentage = 100 - total_percentage
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return diluted_amounts, solvent_amount, solvent_percentage
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def save_to_file(self, filename: str):
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data = {
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'total_amount': self.total_amount,
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'amount_unit': self.amount_unit,
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'solvent': self.solvent,
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'reagents': [{'name': r.name, 'percentage': r.percentage, 'unit': r.unit,
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'conversion_factor': r.conversion_factor, 'dilution_factor': getattr(r, 'dilution_factor', 1.0)}
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for r in self.reagents]
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}
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with open(filename, 'w', encoding='utf-8') as f:
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json.dump(data, f, ensure_ascii=False, indent=4)
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def load_from_file(self, filename: str):
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with open(filename, 'r', encoding='utf-8') as f:
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data = json.load(f)
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self.total_amount = data['total_amount']
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self.amount_unit = data['amount_unit']
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self.solvent = data['solvent']
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self.reagents.clear()
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for r_data in data['reagents']:
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reagent = Reagent(r_data['name'], r_data['percentage'], r_data['unit'], r_data.get('conversion_factor', 1.0))
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reagent.dilution_factor = r_data.get('dilution_factor', 1.0)
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self.reagents.append(reagent)
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def add_reagent(self, name: str, percentage: float, unit: str, conversion_factor: float = 1.0, dilution_factor: float = 1.0):
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reagent = Reagent(name, percentage, unit, conversion_factor)
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reagent.dilution_factor = dilution_factor
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self.reagents.append(reagent)
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def remove_reagent(self, index: int):
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if 0 <= index < len(self.reagents):
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del self.reagents[index]
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def clear_reagents(self):
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self.reagents.clear()
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def get_reagent_count(self) -> int:
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return len(self.reagents)
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def set_total_amount(self, amount: float, unit: str):
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self.total_amount = amount
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self.amount_unit = unit
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def set_solvent(self, solvent_name: str):
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self.solvent = solvent_name
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@@ -0,0 +1,10 @@
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class Reagent:
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def __init__(self, name: str, percentage: float, unit: str, conversion_factor: float = 1.0):
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self.name = name
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self.percentage = percentage
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self.unit = unit
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self.conversion_factor = conversion_factor
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self.dilution_factor = 1.0
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def __repr__(self):
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return f"Reagent(name={self.name}, percentage={self.percentage}, unit={self.unit})"
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@@ -0,0 +1,3 @@
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"""Утилиты и вспомогательные функции"""
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__all__ = []
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@@ -0,0 +1,5 @@
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from .main_window import MainWindow
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from .medium_view import MediumCalculatorWindow
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from .experiment_view import ExperimentDesignWindow
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__all__ = ['MainWindow', 'MediumCalculatorWindow', 'ExperimentDesignWindow']
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from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QPushButton, QLabel,
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QWidget, QMessageBox, QTableWidget, QTableWidgetItem, QGroupBox,
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QSpinBox, QDoubleSpinBox, QComboBox, QLineEdit, QTextEdit,
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QTabWidget, QFormLayout, QCheckBox, QScrollArea, QFileDialog)
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from PyQt5.QtCore import Qt
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from PyQt5.QtGui import QColor, QFont
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import csv
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import random
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import numpy as np
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class ExperimentDesignWindow(QMainWindow):
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def __init__(self):
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super().__init__()
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self.setWindowTitle("Планирование эксперимента - Цифровой помощник биохимика")
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self.setGeometry(200, 100, 1200, 800)
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self.setStyleSheet("""
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QMainWindow { background-color: #f5f5f5; }
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QGroupBox { font-weight: bold; border: 2px solid #ccc; border-radius: 5px; margin-top: 10px; padding-top: 10px; }
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QGroupBox::title { subcontrol-origin: margin; left: 10px; padding: 0 5px 0 5px; color: #1565C0; }
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QPushButton { background-color: #4CAF50; color: white; border: none; padding: 8px; border-radius: 4px; font-weight: bold; }
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QPushButton:hover { background-color: #45a049; }
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QPushButton#danger { background-color: #f44336; }
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QPushButton#danger:hover { background-color: #da190b; }
|
||||
QTableWidget { gridline-color: #ddd; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
self._init_ui()
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
self.setCentralWidget(central_widget)
|
||||
layout = QVBoxLayout(central_widget)
|
||||
|
||||
title_label = QLabel("Планирование полнофакторного эксперимента (DoE)")
|
||||
title_font = QFont()
|
||||
title_font.setPointSize(18)
|
||||
title_font.setBold(True)
|
||||
title_label.setFont(title_font)
|
||||
title_label.setAlignment(Qt.AlignCenter)
|
||||
title_label.setStyleSheet("color: #2E7D32;")
|
||||
layout.addWidget(title_label)
|
||||
|
||||
tabs = QTabWidget()
|
||||
|
||||
# Вкладка параметров
|
||||
params_tab = QWidget()
|
||||
params_layout = QVBoxLayout(params_tab)
|
||||
|
||||
factors_group = QGroupBox("Факторы эксперимента (независимые переменные)")
|
||||
factors_layout = QVBoxLayout()
|
||||
|
||||
info_label = QLabel("Определите факторы, которые влияют на ваш эксперимент:")
|
||||
info_label.setStyleSheet("color: #555; font-weight: normal;")
|
||||
factors_layout.addWidget(info_label)
|
||||
|
||||
self.factors_table = QTableWidget()
|
||||
self.factors_table.setColumnCount(6)
|
||||
self.factors_table.setHorizontalHeaderLabels(["Фактор", "Нулевой уровень (0)", "Шаг",
|
||||
"Верхний уровень (+1)", "Нижний уровень (-1)", "Единица измерения"])
|
||||
self.factors_table.setRowCount(2)
|
||||
|
||||
sample_factors = [["Температура", "31", "6", "37", "25", "°C"], ["pH", "7.0", "0.5", "7.5", "6.5", ""]]
|
||||
for i, factor in enumerate(sample_factors):
|
||||
for j, value in enumerate(factor):
|
||||
item = QTableWidgetItem(value)
|
||||
if j in [3, 4]:
|
||||
item.setFlags(item.flags() & ~Qt.ItemIsEditable)
|
||||
item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(i, j, item)
|
||||
|
||||
self.factors_table.setColumnWidth(0, 150)
|
||||
self.factors_table.setColumnWidth(1, 120)
|
||||
self.factors_table.setColumnWidth(2, 80)
|
||||
self.factors_table.setColumnWidth(3, 120)
|
||||
self.factors_table.setColumnWidth(4, 120)
|
||||
self.factors_table.setColumnWidth(5, 100)
|
||||
|
||||
self.factors_table.itemChanged.connect(self.on_factor_changed)
|
||||
factors_layout.addWidget(self.factors_table)
|
||||
|
||||
factor_buttons = QHBoxLayout()
|
||||
add_factor_btn = QPushButton("+ Добавить фактор")
|
||||
add_factor_btn.clicked.connect(self.add_factor_row)
|
||||
remove_factor_btn = QPushButton("- Удалить последний")
|
||||
remove_factor_btn.clicked.connect(self.remove_factor_row)
|
||||
factor_buttons.addWidget(add_factor_btn)
|
||||
factor_buttons.addWidget(remove_factor_btn)
|
||||
factor_buttons.addStretch()
|
||||
factors_layout.addLayout(factor_buttons)
|
||||
factors_group.setLayout(factors_layout)
|
||||
params_layout.addWidget(factors_group)
|
||||
|
||||
settings_group = QGroupBox("Настройки эксперимента")
|
||||
settings_layout = QHBoxLayout()
|
||||
center_layout = QHBoxLayout()
|
||||
center_layout.addWidget(QLabel("Количество центральных точек:"))
|
||||
self.center_points_spin = QSpinBox()
|
||||
self.center_points_spin.setRange(0, 10)
|
||||
self.center_points_spin.setValue(3)
|
||||
center_layout.addWidget(self.center_points_spin)
|
||||
settings_layout.addLayout(center_layout)
|
||||
self.randomize_check = QCheckBox("Рэндомизировать порядок опытов")
|
||||
self.randomize_check.setChecked(True)
|
||||
settings_layout.addWidget(self.randomize_check)
|
||||
settings_layout.addStretch()
|
||||
settings_group.setLayout(settings_layout)
|
||||
params_layout.addWidget(settings_group)
|
||||
|
||||
responses_group = QGroupBox("Отклики (зависимые переменные)")
|
||||
responses_layout = QVBoxLayout()
|
||||
self.responses_table = QTableWidget()
|
||||
self.responses_table.setColumnCount(2)
|
||||
self.responses_table.setHorizontalHeaderLabels(["Отклик", "Единица измерения"])
|
||||
self.responses_table.setRowCount(2)
|
||||
sample_responses = [["Оптическая плотность (OD600)", ""], ["Концентрация целевого продукта", "мг/мл"]]
|
||||
for i, response in enumerate(sample_responses):
|
||||
for j, value in enumerate(response):
|
||||
self.responses_table.setItem(i, j, QTableWidgetItem(value))
|
||||
responses_layout.addWidget(self.responses_table)
|
||||
|
||||
response_buttons = QHBoxLayout()
|
||||
add_response_btn = QPushButton("+ Добавить отклик")
|
||||
add_response_btn.clicked.connect(self.add_response_row)
|
||||
remove_response_btn = QPushButton("- Удалить последний")
|
||||
remove_response_btn.clicked.connect(self.remove_response_row)
|
||||
response_buttons.addWidget(add_response_btn)
|
||||
response_buttons.addWidget(remove_response_btn)
|
||||
response_buttons.addStretch()
|
||||
responses_layout.addLayout(response_buttons)
|
||||
responses_group.setLayout(responses_layout)
|
||||
params_layout.addWidget(responses_group)
|
||||
tabs.addTab(params_tab, "📝 Параметры эксперимента")
|
||||
|
||||
# Вкладка матрицы планирования
|
||||
plan_tab = QWidget()
|
||||
plan_layout = QVBoxLayout(plan_tab)
|
||||
plan_info = QLabel("Полнофакторный план эксперимента с центральными точками")
|
||||
plan_info.setAlignment(Qt.AlignCenter)
|
||||
plan_info.setStyleSheet("font-weight: bold; font-size: 14px; padding: 10px;")
|
||||
plan_layout.addWidget(plan_info)
|
||||
|
||||
scroll = QScrollArea()
|
||||
scroll.setWidgetResizable(True)
|
||||
matrix_widget = QWidget()
|
||||
matrix_layout = QVBoxLayout(matrix_widget)
|
||||
self.design_matrix = QTableWidget()
|
||||
matrix_layout.addWidget(self.design_matrix)
|
||||
scroll.setWidget(matrix_widget)
|
||||
plan_layout.addWidget(scroll)
|
||||
|
||||
buttons_layout = QHBoxLayout()
|
||||
generate_btn = QPushButton("Сгенерировать план эксперимента")
|
||||
generate_btn.clicked.connect(self.generate_design_matrix)
|
||||
buttons_layout.addWidget(generate_btn)
|
||||
export_btn = QPushButton("📊 Экспорт в CSV")
|
||||
export_btn.clicked.connect(self.export_to_csv)
|
||||
buttons_layout.addWidget(export_btn)
|
||||
buttons_layout.addStretch()
|
||||
plan_layout.addLayout(buttons_layout)
|
||||
|
||||
self.plan_info_label = QLabel("")
|
||||
self.plan_info_label.setStyleSheet("color: #666; font-size: 12px; padding: 5px;")
|
||||
plan_layout.addWidget(self.plan_info_label)
|
||||
tabs.addTab(plan_tab, "📊 Матрица планирования")
|
||||
|
||||
# Вкладка анализа
|
||||
analysis_tab = QWidget()
|
||||
analysis_layout = QVBoxLayout(analysis_tab)
|
||||
analysis_info = QLabel("Введите результаты экспериментов для анализа")
|
||||
analysis_info.setAlignment(Qt.AlignCenter)
|
||||
analysis_info.setStyleSheet("font-weight: bold; font-size: 14px; padding: 10px;")
|
||||
analysis_layout.addWidget(analysis_info)
|
||||
self.results_table = QTableWidget()
|
||||
analysis_layout.addWidget(self.results_table)
|
||||
analyze_btn = QPushButton("Провести регрессионный анализ")
|
||||
analyze_btn.clicked.connect(self.perform_analysis)
|
||||
analysis_layout.addWidget(analyze_btn)
|
||||
self.analysis_output = QTextEdit()
|
||||
self.analysis_output.setReadOnly(True)
|
||||
self.analysis_output.setMaximumHeight(200)
|
||||
analysis_layout.addWidget(self.analysis_output)
|
||||
tabs.addTab(analysis_tab, "📈 Анализ результатов")
|
||||
|
||||
layout.addWidget(tabs)
|
||||
|
||||
btn_layout = QHBoxLayout()
|
||||
close_btn = QPushButton("Закрыть")
|
||||
close_btn.clicked.connect(self.close)
|
||||
btn_layout.addStretch()
|
||||
btn_layout.addWidget(close_btn)
|
||||
layout.addLayout(btn_layout)
|
||||
|
||||
self.generated_design = None
|
||||
self.factors_data = None
|
||||
|
||||
def on_factor_changed(self, item):
|
||||
row = item.row()
|
||||
col = item.column()
|
||||
if col in [1, 2]:
|
||||
try:
|
||||
center = float(self.factors_table.item(row, 1).text()) if self.factors_table.item(row, 1) else 0
|
||||
step = float(self.factors_table.item(row, 2).text()) if self.factors_table.item(row, 2) else 0
|
||||
high = center + step
|
||||
low = center - step
|
||||
self.factors_table.blockSignals(True)
|
||||
if self.factors_table.item(row, 3):
|
||||
self.factors_table.item(row, 3).setText(f"{high:.3f}".rstrip('0').rstrip('.'))
|
||||
if self.factors_table.item(row, 4):
|
||||
self.factors_table.item(row, 4).setText(f"{low:.3f}".rstrip('0').rstrip('.'))
|
||||
self.factors_table.blockSignals(False)
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
def add_factor_row(self):
|
||||
row = self.factors_table.rowCount()
|
||||
self.factors_table.insertRow(row)
|
||||
self.factors_table.setItem(row, 0, QTableWidgetItem(f"Фактор_{row+1}"))
|
||||
self.factors_table.setItem(row, 1, QTableWidgetItem("0"))
|
||||
self.factors_table.setItem(row, 2, QTableWidgetItem("1"))
|
||||
high_item = QTableWidgetItem("1")
|
||||
high_item.setFlags(high_item.flags() & ~Qt.ItemIsEditable)
|
||||
high_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 3, high_item)
|
||||
low_item = QTableWidgetItem("-1")
|
||||
low_item.setFlags(low_item.flags() & ~Qt.ItemIsEditable)
|
||||
low_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 4, low_item)
|
||||
self.factors_table.setItem(row, 5, QTableWidgetItem(""))
|
||||
|
||||
def remove_factor_row(self):
|
||||
if self.factors_table.rowCount() > 1:
|
||||
self.factors_table.removeRow(self.factors_table.rowCount() - 1)
|
||||
|
||||
def add_response_row(self):
|
||||
row = self.responses_table.rowCount()
|
||||
self.responses_table.insertRow(row)
|
||||
self.responses_table.setItem(row, 0, QTableWidgetItem(f"Отклик_{row+1}"))
|
||||
self.responses_table.setItem(row, 1, QTableWidgetItem(""))
|
||||
|
||||
def remove_response_row(self):
|
||||
if self.responses_table.rowCount() > 1:
|
||||
self.responses_table.removeRow(self.responses_table.rowCount() - 1)
|
||||
|
||||
def get_factors_data(self):
|
||||
factors = []
|
||||
for row in range(self.factors_table.rowCount()):
|
||||
try:
|
||||
factor = {
|
||||
'name': self.factors_table.item(row, 0).text() if self.factors_table.item(row, 0) else "",
|
||||
'center': float(self.factors_table.item(row, 1).text()) if self.factors_table.item(row, 1) else 0,
|
||||
'step': float(self.factors_table.item(row, 2).text()) if self.factors_table.item(row, 2) else 0,
|
||||
'high': float(self.factors_table.item(row, 3).text()) if self.factors_table.item(row, 3) else 0,
|
||||
'low': float(self.factors_table.item(row, 4).text()) if self.factors_table.item(row, 4) else 0,
|
||||
'unit': self.factors_table.item(row, 5).text() if self.factors_table.item(row, 5) else ""
|
||||
}
|
||||
factors.append(factor)
|
||||
except (ValueError, AttributeError):
|
||||
continue
|
||||
return factors
|
||||
|
||||
def calculate_factorial_design(self, factors):
|
||||
k = len(factors)
|
||||
if k == 0:
|
||||
return []
|
||||
n_factorial = 2 ** k
|
||||
design = []
|
||||
for i in range(n_factorial):
|
||||
experiment = {}
|
||||
for j in range(k):
|
||||
coded_level = -1 if (i >> (k - 1 - j)) & 1 == 0 else 1
|
||||
natural_value = factors[j]['low'] if coded_level == -1 else factors[j]['high']
|
||||
experiment[f"Фактор_{j+1}"] = {
|
||||
'coded': coded_level,
|
||||
'natural': natural_value,
|
||||
'name': factors[j]['name'],
|
||||
'unit': factors[j]['unit']
|
||||
}
|
||||
design.append(experiment)
|
||||
|
||||
n_center = self.center_points_spin.value()
|
||||
for i in range(n_center):
|
||||
center_experiment = {}
|
||||
for j in range(k):
|
||||
center_experiment[f"Фактор_{j+1}"] = {
|
||||
'coded': 0,
|
||||
'natural': factors[j]['center'],
|
||||
'name': factors[j]['name'],
|
||||
'unit': factors[j]['unit']
|
||||
}
|
||||
center_experiment['is_center'] = True
|
||||
center_experiment['center_num'] = i + 1
|
||||
design.append(center_experiment)
|
||||
|
||||
if self.randomize_check.isChecked():
|
||||
random.shuffle(design)
|
||||
return design
|
||||
|
||||
def generate_design_matrix(self):
|
||||
factors = self.get_factors_data()
|
||||
if len(factors) == 0:
|
||||
QMessageBox.warning(self, "Предупреждение", "Добавьте хотя бы один фактор!")
|
||||
return
|
||||
|
||||
self.factors_data = factors
|
||||
design = self.calculate_factorial_design(factors)
|
||||
self.generated_design = design
|
||||
|
||||
n_experiments = len(design)
|
||||
n_factors = len(factors)
|
||||
|
||||
self.design_matrix.setRowCount(n_experiments)
|
||||
self.design_matrix.setColumnCount(n_factors + 2)
|
||||
headers = ["№ опыта"] + [f["name"] for f in factors] + ["Тип точки"]
|
||||
self.design_matrix.setHorizontalHeaderLabels(headers)
|
||||
|
||||
for exp_idx, experiment in enumerate(design):
|
||||
self.design_matrix.setItem(exp_idx, 0, QTableWidgetItem(str(exp_idx + 1)))
|
||||
for factor_idx in range(n_factors):
|
||||
factor_key = f"Фактор_{factor_idx + 1}"
|
||||
value = experiment[factor_key]['natural']
|
||||
unit = factors[factor_idx]['unit']
|
||||
if isinstance(value, float):
|
||||
if value == int(value):
|
||||
display_value = str(int(value))
|
||||
else:
|
||||
display_value = f"{value:.3f}".rstrip('0').rstrip('.')
|
||||
else:
|
||||
display_value = str(value)
|
||||
if unit:
|
||||
display_value += f" {unit}"
|
||||
item = QTableWidgetItem(display_value)
|
||||
if experiment.get('is_center', False):
|
||||
item.setBackground(QColor(255, 255, 200))
|
||||
self.design_matrix.setItem(exp_idx, factor_idx + 1, item)
|
||||
|
||||
if experiment.get('is_center', False):
|
||||
type_item = QTableWidgetItem(f"Центральная #{experiment['center_num']}")
|
||||
type_item.setBackground(QColor(255, 255, 200))
|
||||
else:
|
||||
levels = []
|
||||
for factor_idx in range(n_factors):
|
||||
factor_key = f"Фактор_{factor_idx + 1}"
|
||||
coded = experiment[factor_key]['coded']
|
||||
levels.append("+" if coded == 1 else "-")
|
||||
type_item = QTableWidgetItem(f"Факторная ({''.join(levels)})")
|
||||
self.design_matrix.setItem(exp_idx, n_factors + 1, type_item)
|
||||
|
||||
self.design_matrix.resizeColumnsToContents()
|
||||
n_factorial = 2 ** n_factors
|
||||
n_center = self.center_points_spin.value()
|
||||
self.plan_info_label.setText(f"📊 План эксперимента: {n_factorial} факторных точек + {n_center} центральных точек = {n_experiments} опытов")
|
||||
self.setup_results_table(n_experiments)
|
||||
QMessageBox.information(self, "Успех", f"Сгенерирован план для {n_factors} факторов\nФакторных точек: {n_factorial}\nЦентральных точек: {n_center}\nВсего опытов: {n_experiments}")
|
||||
|
||||
def setup_results_table(self, n_experiments):
|
||||
n_responses = self.responses_table.rowCount()
|
||||
self.results_table.setRowCount(n_experiments)
|
||||
self.results_table.setColumnCount(n_responses + 1)
|
||||
headers = ["№ опыта"] + [self.responses_table.item(i, 0).text() if self.responses_table.item(i, 0) else f"Отклик_{i+1}" for i in range(n_responses)]
|
||||
self.results_table.setHorizontalHeaderLabels(headers)
|
||||
for i in range(n_experiments):
|
||||
self.results_table.setItem(i, 0, QTableWidgetItem(str(i + 1)))
|
||||
self.results_table.setColumnWidth(0, 80)
|
||||
for i in range(n_responses):
|
||||
self.results_table.setColumnWidth(i + 1, 150)
|
||||
|
||||
def export_to_csv(self):
|
||||
if self.design_matrix.rowCount() == 0:
|
||||
QMessageBox.warning(self, "Предупреждение", "Сначала сгенерируйте план эксперимента!")
|
||||
return
|
||||
filename, _ = QFileDialog.getSaveFileName(self, "Сохранить план эксперимента", "", "CSV Files (*.csv);;All Files (*)")
|
||||
if filename:
|
||||
if not filename.lower().endswith('.csv'):
|
||||
filename += '.csv'
|
||||
try:
|
||||
with open(filename, 'w', newline='', encoding='utf-8-sig') as f:
|
||||
writer = csv.writer(f)
|
||||
headers = []
|
||||
for j in range(self.design_matrix.columnCount()):
|
||||
header_item = self.design_matrix.horizontalHeaderItem(j)
|
||||
headers.append(header_item.text() if header_item else f"Колонка_{j+1}")
|
||||
writer.writerow(headers)
|
||||
for i in range(self.design_matrix.rowCount()):
|
||||
row = [self.design_matrix.item(i, j).text() if self.design_matrix.item(i, j) else "" for j in range(self.design_matrix.columnCount())]
|
||||
writer.writerow(row)
|
||||
QMessageBox.information(self, "Успех", f"План эксперимента сохранен в {filename}")
|
||||
except Exception as e:
|
||||
QMessageBox.critical(self, "Ошибка", f"Не удалось сохранить файл: {str(e)}")
|
||||
|
||||
def perform_analysis(self):
|
||||
n_responses = self.responses_table.rowCount()
|
||||
if n_responses == 0:
|
||||
QMessageBox.warning(self, "Предупреждение", "Добавьте хотя бы один отклик!")
|
||||
return
|
||||
if self.generated_design is None:
|
||||
QMessageBox.warning(self, "Предупреждение", "Сначала сгенерируйте план эксперимента!")
|
||||
return
|
||||
|
||||
results = []
|
||||
for i in range(self.results_table.rowCount()):
|
||||
row_results = []
|
||||
for j in range(1, self.results_table.columnCount()):
|
||||
item = self.results_table.item(i, j)
|
||||
if item and item.text():
|
||||
try:
|
||||
row_results.append(float(item.text()))
|
||||
except ValueError:
|
||||
row_results.append(None)
|
||||
else:
|
||||
row_results.append(None)
|
||||
results.append(row_results)
|
||||
|
||||
for i, row in enumerate(results):
|
||||
for j, val in enumerate(row):
|
||||
if val is None:
|
||||
self.analysis_output.setText(f"Ошибка: Не введены результаты для опыта {i+1}, отклик {j+1}")
|
||||
return
|
||||
|
||||
self.analysis_output.clear()
|
||||
self.analysis_output.append("=" * 60)
|
||||
self.analysis_output.append("РЕЗУЛЬТАТЫ РЕГРЕССИОННОГО АНАЛИЗА")
|
||||
self.analysis_output.append("=" * 60)
|
||||
|
||||
factors = self.get_factors_data()
|
||||
design = self.generated_design
|
||||
|
||||
for resp_idx in range(n_responses):
|
||||
resp_name = self.responses_table.item(resp_idx, 0).text()
|
||||
self.analysis_output.append(f"\n📊 Отклик: {resp_name}")
|
||||
self.analysis_output.append("-" * 40)
|
||||
|
||||
y_values = [results[i][resp_idx] for i in range(len(results))]
|
||||
mean_y = np.mean(y_values)
|
||||
variance = np.var(y_values, ddof=1) if len(y_values) > 1 else 0
|
||||
std_dev = np.std(y_values, ddof=1) if len(y_values) > 1 else 0
|
||||
cv = (std_dev / mean_y) * 100 if mean_y != 0 else 0
|
||||
|
||||
self.analysis_output.append(f"Среднее значение: {mean_y:.4f}")
|
||||
self.analysis_output.append(f"Общая дисперсия: {variance:.4f}")
|
||||
self.analysis_output.append(f"Стандартное отклонение: {std_dev:.4f}")
|
||||
self.analysis_output.append(f"Коэффициент вариации: {cv:.2f}%")
|
||||
|
||||
factorial_y = []
|
||||
center_y = []
|
||||
for i, exp in enumerate(design):
|
||||
if exp.get('is_center', False):
|
||||
center_y.append(y_values[i])
|
||||
else:
|
||||
factorial_y.append(y_values[i])
|
||||
|
||||
if len(center_y) > 1:
|
||||
center_variance = np.var(center_y, ddof=1) if len(center_y) > 1 else 0
|
||||
self.analysis_output.append(f"\nЦентральные точки (n={len(center_y)}):")
|
||||
self.analysis_output.append(f" Среднее: {np.mean(center_y):.4f}")
|
||||
self.analysis_output.append(f" Дисперсия воспроизводимости: {center_variance:.4f}")
|
||||
if len(factorial_y) > 0 and center_variance > 0:
|
||||
factorial_variance = np.var(factorial_y, ddof=1) if len(factorial_y) > 1 else 0
|
||||
if factorial_variance > 0:
|
||||
fisher = max(factorial_variance, center_variance) / min(factorial_variance, center_variance)
|
||||
self.analysis_output.append(f"\nКритерий Фишера (F-отношение): {fisher:.4f}")
|
||||
if fisher < 4.0:
|
||||
self.analysis_output.append("✅ Модель адекватна экспериментальным данным")
|
||||
else:
|
||||
self.analysis_output.append("⚠️ Модель может быть неадекватна, требуется проверка")
|
||||
|
||||
self.analysis_output.append("\n" + "=" * 60)
|
||||
self.analysis_output.append("Анализ завершен")
|
||||
|
||||
def show_error(self, message: str):
|
||||
QMessageBox.critical(self, "Ошибка", message)
|
||||
@@ -0,0 +1,101 @@
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QPushButton, QLabel, QWidget, QFrame)
|
||||
from PyQt5.QtCore import Qt
|
||||
from PyQt5.QtGui import QFont
|
||||
|
||||
class MainWindow(QMainWindow):
|
||||
def __init__(self):
|
||||
super().__init__()
|
||||
self.setWindowTitle("Цифровой помощник биохимика - Главное меню")
|
||||
self.setGeometry(300, 200, 700, 500)
|
||||
self.setStyleSheet("""
|
||||
QMainWindow { background-color: qlineargradient(x1:0, y1:0, x2:1, y2:1, stop:0 #e8f4f8, stop:1 #f0f0f0); }
|
||||
QPushButton { background-color: #2196F3; color: white; border: none; padding: 15px; font-size: 16px; font-weight: bold; border-radius: 8px; }
|
||||
QPushButton:hover { background-color: #1976D2; }
|
||||
QLabel { color: #333; font-size: 14px; }
|
||||
""")
|
||||
self._init_ui()
|
||||
self.medium_calculator = None
|
||||
self.experiment_window = None
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
self.setCentralWidget(central_widget)
|
||||
layout = QVBoxLayout(central_widget)
|
||||
layout.setSpacing(20)
|
||||
layout.setContentsMargins(50, 50, 50, 50)
|
||||
|
||||
title_label = QLabel("Цифровой помощник биохимика")
|
||||
title_font = QFont()
|
||||
title_font.setPointSize(20)
|
||||
title_font.setBold(True)
|
||||
title_label.setFont(title_font)
|
||||
title_label.setAlignment(Qt.AlignCenter)
|
||||
title_label.setStyleSheet("color: #1565C0;")
|
||||
layout.addWidget(title_label)
|
||||
|
||||
subtitle_label = QLabel("Биотехнологические инструменты для лаборатории")
|
||||
subtitle_font = QFont()
|
||||
subtitle_font.setPointSize(12)
|
||||
subtitle_label.setFont(subtitle_font)
|
||||
subtitle_label.setAlignment(Qt.AlignCenter)
|
||||
subtitle_label.setStyleSheet("color: #666;")
|
||||
layout.addWidget(subtitle_label)
|
||||
|
||||
layout.addSpacing(20)
|
||||
|
||||
btn_medium = QPushButton("🧪 Калькулятор питательных сред")
|
||||
btn_medium.setMinimumHeight(80)
|
||||
btn_medium.clicked.connect(self.open_medium_calculator)
|
||||
layout.addWidget(btn_medium)
|
||||
|
||||
desc1_label = QLabel("Расчёт состава питательной среды с учётом процентного содержания,\nразбавления реагентов и автоматическим расчётом растворителя")
|
||||
desc1_label.setAlignment(Qt.AlignCenter)
|
||||
desc1_label.setWordWrap(True)
|
||||
desc1_label.setStyleSheet("color: #555; font-size: 11px;")
|
||||
layout.addWidget(desc1_label)
|
||||
|
||||
layout.addSpacing(15)
|
||||
|
||||
btn_experiment = QPushButton("📊 Планирование эксперимента (DoE)")
|
||||
btn_experiment.setMinimumHeight(80)
|
||||
btn_experiment.clicked.connect(self.open_experiment_designer)
|
||||
layout.addWidget(btn_experiment)
|
||||
|
||||
desc2_label = QLabel("Дизайн эксперимента, оптимизация процессов,\nмногомерный анализ и визуализация")
|
||||
desc2_label.setAlignment(Qt.AlignCenter)
|
||||
desc2_label.setWordWrap(True)
|
||||
desc2_label.setStyleSheet("color: #555; font-size: 11px;")
|
||||
layout.addWidget(desc2_label)
|
||||
|
||||
layout.addSpacing(15)
|
||||
|
||||
line = QFrame()
|
||||
line.setFrameShape(QFrame.HLine)
|
||||
line.setFrameShadow(QFrame.Sunken)
|
||||
layout.addWidget(line)
|
||||
|
||||
bottom_layout = QHBoxLayout()
|
||||
version_label = QLabel("Версия 1.0.0 | © 2026 Цифровой помощник биохимика")
|
||||
version_label.setStyleSheet("color: #999; font-size: 10px;")
|
||||
bottom_layout.addWidget(version_label)
|
||||
bottom_layout.addStretch()
|
||||
btn_exit = QPushButton("Выход")
|
||||
btn_exit.setMaximumWidth(150)
|
||||
btn_exit.setStyleSheet("QPushButton { background-color: #f44336; padding: 8px; font-size: 14px; } QPushButton:hover { background-color: #da190b; }")
|
||||
btn_exit.clicked.connect(self.close)
|
||||
bottom_layout.addWidget(btn_exit)
|
||||
layout.addLayout(bottom_layout)
|
||||
|
||||
def open_medium_calculator(self):
|
||||
from .medium_view import MediumCalculatorWindow
|
||||
from ..controllers.medium_controller import MediumController
|
||||
self.medium_calculator = MediumCalculatorWindow()
|
||||
self.medium_controller = MediumController(self.medium_calculator)
|
||||
self.medium_calculator.show()
|
||||
|
||||
def open_experiment_designer(self):
|
||||
from .experiment_view import ExperimentDesignWindow
|
||||
from ..controllers.experiment_controller import ExperimentController
|
||||
self.experiment_window = ExperimentDesignWindow()
|
||||
self.experiment_controller = ExperimentController(self.experiment_window)
|
||||
self.experiment_window.show()
|
||||
@@ -0,0 +1,207 @@
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QTableWidget, QTableWidgetItem,
|
||||
QPushButton, QLabel, QDoubleSpinBox, QComboBox, QLineEdit, QWidget,
|
||||
QMessageBox, QGroupBox, QFrame)
|
||||
from PyQt5.QtCore import Qt
|
||||
from PyQt5.QtGui import QFont, QColor
|
||||
|
||||
class MediumCalculatorWindow(QMainWindow):
|
||||
def __init__(self):
|
||||
super().__init__()
|
||||
self.setWindowTitle("Калькулятор питательных сред")
|
||||
self.setGeometry(200, 100, 1200, 700)
|
||||
self.setStyleSheet("""
|
||||
QMainWindow { background-color: #f5f5f5; }
|
||||
QGroupBox { font-weight: bold; border: 2px solid #ccc; border-radius: 5px; margin-top: 10px; padding-top: 10px; background-color: white; }
|
||||
QGroupBox::title { subcontrol-origin: margin; left: 10px; padding: 0 5px 0 5px; color: #1565C0; }
|
||||
QPushButton { background-color: #2196F3; color: white; border: none; padding: 8px 15px; border-radius: 4px; font-weight: bold; }
|
||||
QPushButton:hover { background-color: #1976D2; }
|
||||
QPushButton#danger { background-color: #f44336; }
|
||||
QPushButton#success { background-color: #4CAF50; }
|
||||
QTableWidget { gridline-color: #ddd; background-color: white; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
self._init_ui()
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
self.setCentralWidget(central_widget)
|
||||
layout = QVBoxLayout(central_widget)
|
||||
layout.setSpacing(15)
|
||||
layout.setContentsMargins(20, 20, 20, 20)
|
||||
|
||||
title_label = QLabel("Калькулятор питательных сред")
|
||||
title_label.setAlignment(Qt.AlignCenter)
|
||||
title_font = QFont()
|
||||
title_font.setPointSize(18)
|
||||
title_font.setBold(True)
|
||||
title_label.setFont(title_font)
|
||||
layout.addWidget(title_label)
|
||||
|
||||
params_group = QGroupBox("Параметры среды")
|
||||
params_layout = QHBoxLayout()
|
||||
amount_layout = QHBoxLayout()
|
||||
amount_layout.addWidget(QLabel("Общее количество:"))
|
||||
self.amount_input = QDoubleSpinBox()
|
||||
self.amount_input.setRange(0.001, 1000000.0)
|
||||
self.amount_input.setValue(1000.0)
|
||||
amount_layout.addWidget(self.amount_input)
|
||||
self.amount_unit_combo = QComboBox()
|
||||
self.amount_unit_combo.addItems(["нл", "мкл", "мл", "л"])
|
||||
self.amount_unit_combo.setCurrentText("мл")
|
||||
amount_layout.addWidget(self.amount_unit_combo)
|
||||
params_layout.addLayout(amount_layout)
|
||||
solvent_layout = QHBoxLayout()
|
||||
solvent_layout.addWidget(QLabel("Растворитель:"))
|
||||
self.solvent_input = QLineEdit("Вода")
|
||||
solvent_layout.addWidget(self.solvent_input)
|
||||
params_layout.addLayout(solvent_layout)
|
||||
params_layout.addStretch()
|
||||
params_group.setLayout(params_layout)
|
||||
layout.addWidget(params_group)
|
||||
|
||||
table_group = QGroupBox("Состав среды")
|
||||
table_layout = QVBoxLayout()
|
||||
self.table = QTableWidget()
|
||||
self.table.setColumnCount(6)
|
||||
self.table.setHorizontalHeaderLabels(["Название", "%", "Единица", "Коэфф.", "Разбавление (x)", "Количество"])
|
||||
self.table.setAlternatingRowColors(True)
|
||||
self.table.setSelectionBehavior(QTableWidget.SelectRows)
|
||||
self.table.setColumnWidth(0, 180)
|
||||
self.table.setColumnWidth(1, 70)
|
||||
self.table.setColumnWidth(2, 90)
|
||||
self.table.setColumnWidth(3, 70)
|
||||
self.table.setColumnWidth(4, 100)
|
||||
self.table.setColumnWidth(5, 120)
|
||||
table_layout.addWidget(self.table)
|
||||
table_group.setLayout(table_layout)
|
||||
layout.addWidget(table_group)
|
||||
|
||||
btn_group = QGroupBox("Управление")
|
||||
btn_layout = QHBoxLayout()
|
||||
self.add_row_btn = QPushButton("➕ Добавить реагент")
|
||||
self.remove_row_btn = QPushButton("➖ Удалить реагент")
|
||||
self.remove_row_btn.setObjectName("danger")
|
||||
btn_layout.addWidget(self.add_row_btn)
|
||||
btn_layout.addWidget(self.remove_row_btn)
|
||||
btn_layout.addStretch()
|
||||
self.calculate_btn = QPushButton("🧮 Рассчитать")
|
||||
self.calculate_btn.setObjectName("success")
|
||||
self.save_btn = QPushButton("💾 Сохранить")
|
||||
self.load_btn = QPushButton("📂 Загрузить")
|
||||
btn_layout.addWidget(self.calculate_btn)
|
||||
btn_layout.addWidget(self.save_btn)
|
||||
btn_layout.addWidget(self.load_btn)
|
||||
btn_group.setLayout(btn_layout)
|
||||
layout.addWidget(btn_group)
|
||||
|
||||
info_frame = QFrame()
|
||||
info_frame.setFrameShape(QFrame.StyledPanel)
|
||||
info_frame.setStyleSheet("background-color: #e3f2fd; border-radius: 5px;")
|
||||
info_layout = QHBoxLayout(info_frame)
|
||||
info_label = QLabel("ℹ️ Подсказка: Реагенты в массовых единицах не учитываются при расчёте объёма растворителя")
|
||||
info_layout.addWidget(info_label)
|
||||
info_layout.addStretch()
|
||||
layout.addWidget(info_frame)
|
||||
|
||||
def add_initial_rows(self):
|
||||
self.add_solvent_row()
|
||||
self.add_new_row()
|
||||
|
||||
def add_solvent_row(self):
|
||||
row = self.table.rowCount()
|
||||
self.table.insertRow(row)
|
||||
solvent_item = QTableWidgetItem(self.solvent_input.text())
|
||||
solvent_item.setFlags(solvent_item.flags() & ~Qt.ItemIsEditable)
|
||||
solvent_item.setBackground(QColor(230, 230, 230))
|
||||
font = QFont()
|
||||
font.setBold(True)
|
||||
solvent_item.setFont(font)
|
||||
self.table.setItem(row, 0, solvent_item)
|
||||
for col in [1, 3, 4]:
|
||||
item = QTableWidgetItem("-")
|
||||
item.setFlags(item.flags() & ~Qt.ItemIsEditable)
|
||||
item.setBackground(QColor(230, 230, 230))
|
||||
self.table.setItem(row, col, item)
|
||||
unit_item = QTableWidgetItem(self.amount_unit_combo.currentText())
|
||||
unit_item.setFlags(unit_item.flags() & ~Qt.ItemIsEditable)
|
||||
unit_item.setBackground(QColor(230, 230, 230))
|
||||
self.table.setItem(row, 2, unit_item)
|
||||
result_item = QTableWidgetItem("")
|
||||
result_item.setFlags(result_item.flags() & ~Qt.ItemIsEditable)
|
||||
self.table.setItem(row, 5, result_item)
|
||||
|
||||
def update_solvent_name(self):
|
||||
if self.table.rowCount() > 0 and self.table.item(0, 0):
|
||||
self.table.item(0, 0).setText(self.solvent_input.text())
|
||||
|
||||
def add_new_row(self):
|
||||
row = self.table.rowCount()
|
||||
self.table.insertRow(row)
|
||||
self.table.setItem(row, 0, QTableWidgetItem(f"Реагент_{row}"))
|
||||
self.table.setItem(row, 1, QTableWidgetItem("0"))
|
||||
unit_combo = QComboBox()
|
||||
unit_combo.addItems(["нг", "мкг", "мг", "г", "кг", "нл", "мкл", "мл", "л"])
|
||||
unit_combo.setCurrentText("мг")
|
||||
self.table.setCellWidget(row, 2, unit_combo)
|
||||
self.table.setItem(row, 3, QTableWidgetItem("1"))
|
||||
self.table.setItem(row, 4, QTableWidgetItem("1"))
|
||||
self.table.setItem(row, 5, QTableWidgetItem(""))
|
||||
|
||||
def remove_selected_row(self):
|
||||
for row in sorted(set(item.row() for item in self.table.selectedItems()), reverse=True):
|
||||
if row > 0:
|
||||
self.table.removeRow(row)
|
||||
|
||||
def get_table_data(self):
|
||||
data = []
|
||||
for row in range(1, self.table.rowCount()):
|
||||
name = self.table.item(row, 0).text() if self.table.item(row, 0) else ""
|
||||
percent = self.table.item(row, 1).text() if self.table.item(row, 1) else "0"
|
||||
unit_widget = self.table.cellWidget(row, 2)
|
||||
unit = unit_widget.currentText() if unit_widget else "мг"
|
||||
coeff = self.table.item(row, 3).text() if self.table.item(row, 3) else "1"
|
||||
dilution = self.table.item(row, 4).text() if self.table.item(row, 4) else "1"
|
||||
data.append([name, percent, unit, coeff, dilution])
|
||||
return data
|
||||
|
||||
def update_solvent_percent(self, solvent_percent: float):
|
||||
if self.table.rowCount() > 0 and self.table.item(0, 1):
|
||||
self.table.item(0, 1).setText(self.format_number(solvent_percent))
|
||||
|
||||
def update_solvent_result(self, solvent_amount: float, unit: str):
|
||||
if self.table.rowCount() > 0:
|
||||
if self.table.item(0, 5):
|
||||
self.table.item(0, 5).setText(self.format_number(solvent_amount))
|
||||
self.table.item(0, 5).setBackground(QColor(220, 255, 220))
|
||||
if self.table.item(0, 2):
|
||||
self.table.item(0, 2).setText(unit)
|
||||
|
||||
def update_results(self, results: list):
|
||||
for row, amount in enumerate(results, start=1):
|
||||
if row < self.table.rowCount() and self.table.item(row, 5):
|
||||
self.table.item(row, 5).setText(self.format_number(amount))
|
||||
self.table.item(row, 5).setBackground(QColor(220, 255, 220))
|
||||
|
||||
def clear_results(self):
|
||||
for row in range(self.table.rowCount()):
|
||||
if self.table.item(row, 5):
|
||||
self.table.item(row, 5).setText("")
|
||||
if row == 0:
|
||||
self.table.item(row, 5).setBackground(QColor(230, 230, 230))
|
||||
else:
|
||||
self.table.item(row, 5).setBackground(QColor(250, 250, 250))
|
||||
if self.table.rowCount() > 0 and self.table.item(0, 1):
|
||||
self.table.item(0, 1).setText("")
|
||||
if self.table.rowCount() > 0 and self.table.item(0, 2):
|
||||
self.table.item(0, 2).setText(self.amount_unit_combo.currentText())
|
||||
|
||||
def format_number(self, value):
|
||||
if value == int(value):
|
||||
return str(int(value))
|
||||
formatted = f"{value:.6f}".rstrip('0').rstrip('.')
|
||||
if '.' in formatted and len(formatted.split('.')[1]) > 4:
|
||||
formatted = f"{value:.4f}".rstrip('0').rstrip('.')
|
||||
return formatted
|
||||
|
||||
def show_error(self, message: str):
|
||||
QMessageBox.critical(self, "Ошибка", message)
|
||||
@@ -6,366 +6,20 @@ GREEN='\033[0;32m'
|
||||
YELLOW='\033[1;33m'
|
||||
NC='\033[0m'
|
||||
|
||||
echo -e "${GREEN}=== Реорганизация программы Цифровой помощник биохимика ===${NC}"
|
||||
echo -e "${GREEN}=== Обновление программы: добавление передачи данных в DoE ===${NC}"
|
||||
|
||||
# Создаём бэкап текущей версии
|
||||
# Создаём бэкап
|
||||
BACKUP_DIR="backup_$(date +%Y%m%d_%H%M%S)"
|
||||
echo -e "${YELLOW}Создание бэкапа в $BACKUP_DIR...${NC}"
|
||||
mkdir -p "$BACKUP_DIR"
|
||||
cp *.py "$BACKUP_DIR/" 2>/dev/null
|
||||
echo -e "${GREEN}✓ Бэкап создан${NC}"
|
||||
cp -r src "$BACKUP_DIR/" 2>/dev/null
|
||||
echo -e "${GREEN}✓ Бэкап создан в $BACKUP_DIR${NC}"
|
||||
|
||||
# Создаём структуру папок
|
||||
echo -e "${YELLOW}Создание структуры проекта...${NC}"
|
||||
mkdir -p src/models
|
||||
mkdir -p src/views
|
||||
mkdir -p src/controllers
|
||||
mkdir -p src/utils
|
||||
|
||||
# Файл: src/models/reagent.py
|
||||
cat > src/models/reagent.py << 'EOF'
|
||||
class Reagent:
|
||||
def __init__(self, name: str, percentage: float, unit: str, conversion_factor: float = 1.0):
|
||||
self.name = name
|
||||
self.percentage = percentage
|
||||
self.unit = unit
|
||||
self.conversion_factor = conversion_factor
|
||||
self.dilution_factor = 1.0
|
||||
|
||||
def __repr__(self):
|
||||
return f"Reagent(name={self.name}, percentage={self.percentage}, unit={self.unit})"
|
||||
EOF
|
||||
|
||||
# Файл: src/models/__init__.py
|
||||
cat > src/models/__init__.py << 'EOF'
|
||||
from .reagent import Reagent
|
||||
from .medium_model import MediumModel
|
||||
from .experiment_model import ExperimentModel
|
||||
|
||||
__all__ = ['Reagent', 'MediumModel', 'ExperimentModel']
|
||||
EOF
|
||||
|
||||
# Файл: src/models/medium_model.py
|
||||
cat > src/models/medium_model.py << 'EOF'
|
||||
import json
|
||||
from typing import List, Tuple
|
||||
from .reagent import Reagent
|
||||
|
||||
VOLUME_UNITS = {
|
||||
'нл': 0.001, 'мкл': 1.0, 'мл': 1000.0, 'л': 1000000.0
|
||||
}
|
||||
|
||||
MASS_UNITS = {
|
||||
'нг': 0.000001, 'мкг': 0.001, 'мг': 1.0, 'г': 1000.0, 'кг': 1000000.0
|
||||
}
|
||||
|
||||
class MediumModel:
|
||||
def __init__(self):
|
||||
self.total_amount = 100.0
|
||||
self.amount_unit = 'мл'
|
||||
self.solvent = 'Вода'
|
||||
self.reagents = []
|
||||
|
||||
def convert_amount(self, amount_base: float, target_unit: str, is_volume: bool) -> float:
|
||||
if is_volume:
|
||||
conversion_factor = VOLUME_UNITS.get(target_unit, 1.0)
|
||||
else:
|
||||
conversion_factor = MASS_UNITS.get(target_unit, 1.0)
|
||||
return amount_base / conversion_factor
|
||||
|
||||
def calculate_amounts(self) -> Tuple[List[float], float, float]:
|
||||
results = []
|
||||
if not self.reagents:
|
||||
return results, self.total_amount, 100.0
|
||||
|
||||
total_percentage = sum(r.percentage for r in self.reagents)
|
||||
if total_percentage > 100:
|
||||
raise ValueError(f"Сумма процентов реагентов ({total_percentage:.2f}%) превышает 100%")
|
||||
|
||||
total_in_base = self.total_amount * VOLUME_UNITS[self.amount_unit]
|
||||
|
||||
undiluted_amounts = []
|
||||
for reagent in self.reagents:
|
||||
amount_in_base = (reagent.percentage / 100) * total_in_base
|
||||
is_volume = reagent.unit in VOLUME_UNITS
|
||||
adjusted_amount = amount_in_base * reagent.conversion_factor
|
||||
final_amount = self.convert_amount(adjusted_amount, reagent.unit, is_volume)
|
||||
undiluted_amounts.append(final_amount)
|
||||
|
||||
diluted_amounts = []
|
||||
total_diluted_volume_base = 0
|
||||
for i, reagent in enumerate(self.reagents):
|
||||
dilution_factor = getattr(reagent, 'dilution_factor', 1.0)
|
||||
if dilution_factor <= 0:
|
||||
dilution_factor = 1.0
|
||||
diluted_amount = undiluted_amounts[i] * dilution_factor
|
||||
diluted_amounts.append(diluted_amount)
|
||||
is_volume = reagent.unit in VOLUME_UNITS
|
||||
if is_volume:
|
||||
reagent_volume_base = diluted_amount * VOLUME_UNITS[reagent.unit]
|
||||
else:
|
||||
reagent_volume_base = 0
|
||||
total_diluted_volume_base += reagent_volume_base
|
||||
|
||||
solvent_volume_base = total_in_base - total_diluted_volume_base
|
||||
solvent_amount = solvent_volume_base / VOLUME_UNITS[self.amount_unit]
|
||||
if solvent_amount < 0:
|
||||
solvent_amount = 0
|
||||
solvent_percentage = 100 - total_percentage
|
||||
|
||||
return diluted_amounts, solvent_amount, solvent_percentage
|
||||
|
||||
def save_to_file(self, filename: str):
|
||||
data = {
|
||||
'total_amount': self.total_amount,
|
||||
'amount_unit': self.amount_unit,
|
||||
'solvent': self.solvent,
|
||||
'reagents': [{'name': r.name, 'percentage': r.percentage, 'unit': r.unit,
|
||||
'conversion_factor': r.conversion_factor, 'dilution_factor': getattr(r, 'dilution_factor', 1.0)}
|
||||
for r in self.reagents]
|
||||
}
|
||||
with open(filename, 'w', encoding='utf-8') as f:
|
||||
json.dump(data, f, ensure_ascii=False, indent=4)
|
||||
|
||||
def load_from_file(self, filename: str):
|
||||
with open(filename, 'r', encoding='utf-8') as f:
|
||||
data = json.load(f)
|
||||
self.total_amount = data['total_amount']
|
||||
self.amount_unit = data['amount_unit']
|
||||
self.solvent = data['solvent']
|
||||
self.reagents.clear()
|
||||
for r_data in data['reagents']:
|
||||
reagent = Reagent(r_data['name'], r_data['percentage'], r_data['unit'], r_data.get('conversion_factor', 1.0))
|
||||
reagent.dilution_factor = r_data.get('dilution_factor', 1.0)
|
||||
self.reagents.append(reagent)
|
||||
|
||||
def add_reagent(self, name: str, percentage: float, unit: str, conversion_factor: float = 1.0, dilution_factor: float = 1.0):
|
||||
reagent = Reagent(name, percentage, unit, conversion_factor)
|
||||
reagent.dilution_factor = dilution_factor
|
||||
self.reagents.append(reagent)
|
||||
|
||||
def remove_reagent(self, index: int):
|
||||
if 0 <= index < len(self.reagents):
|
||||
del self.reagents[index]
|
||||
|
||||
def clear_reagents(self):
|
||||
self.reagents.clear()
|
||||
|
||||
def get_reagent_count(self) -> int:
|
||||
return len(self.reagents)
|
||||
|
||||
def set_total_amount(self, amount: float, unit: str):
|
||||
self.total_amount = amount
|
||||
self.amount_unit = unit
|
||||
|
||||
def set_solvent(self, solvent_name: str):
|
||||
self.solvent = solvent_name
|
||||
EOF
|
||||
|
||||
# Файл: src/models/experiment_model.py
|
||||
cat > src/models/experiment_model.py << 'EOF'
|
||||
import numpy as np
|
||||
from typing import List, Dict, Any
|
||||
|
||||
class ExperimentModel:
|
||||
def __init__(self):
|
||||
self.factors = []
|
||||
self.responses = []
|
||||
self.center_points = 3
|
||||
self.randomize = True
|
||||
|
||||
def set_factors(self, factors: List[Dict]):
|
||||
self.factors = factors
|
||||
|
||||
def set_responses(self, responses: List[Dict]):
|
||||
self.responses = responses
|
||||
|
||||
def set_center_points(self, n: int):
|
||||
self.center_points = n
|
||||
|
||||
def set_randomize(self, value: bool):
|
||||
self.randomize = value
|
||||
|
||||
def calculate_factorial_design(self) -> List[Dict]:
|
||||
k = len(self.factors)
|
||||
if k == 0:
|
||||
return []
|
||||
n_factorial = 2 ** k
|
||||
design = []
|
||||
for i in range(n_factorial):
|
||||
experiment = {}
|
||||
for j in range(k):
|
||||
coded_level = -1 if (i >> (k - 1 - j)) & 1 == 0 else 1
|
||||
natural_value = self.factors[j]['low'] if coded_level == -1 else self.factors[j]['high']
|
||||
experiment[f"Фактор_{j+1}"] = {
|
||||
'coded': coded_level,
|
||||
'natural': natural_value,
|
||||
'name': self.factors[j]['name'],
|
||||
'unit': self.factors[j]['unit']
|
||||
}
|
||||
design.append(experiment)
|
||||
for i in range(self.center_points):
|
||||
center_experiment = {}
|
||||
for j in range(k):
|
||||
center_experiment[f"Фактор_{j+1}"] = {
|
||||
'coded': 0,
|
||||
'natural': self.factors[j]['center'],
|
||||
'name': self.factors[j]['name'],
|
||||
'unit': self.factors[j]['unit']
|
||||
}
|
||||
center_experiment['is_center'] = True
|
||||
center_experiment['center_num'] = i + 1
|
||||
design.append(center_experiment)
|
||||
if self.randomize:
|
||||
import random
|
||||
random.shuffle(design)
|
||||
return design
|
||||
|
||||
def analyze_results(self, results: List[List[float]], design: List[Dict]) -> Dict:
|
||||
analysis = {}
|
||||
for resp_idx, response in enumerate(self.responses):
|
||||
resp_name = response.get('name', f'Отклик_{resp_idx+1}')
|
||||
y_values = [results[i][resp_idx] for i in range(len(results))]
|
||||
mean_y = np.mean(y_values)
|
||||
variance = np.var(y_values, ddof=1) if len(y_values) > 1 else 0
|
||||
std_dev = np.std(y_values, ddof=1) if len(y_values) > 1 else 0
|
||||
cv = (std_dev / mean_y) * 100 if mean_y != 0 else 0
|
||||
factorial_y = []
|
||||
center_y = []
|
||||
for i, exp in enumerate(design):
|
||||
if exp.get('is_center', False):
|
||||
center_y.append(y_values[i])
|
||||
else:
|
||||
factorial_y.append(y_values[i])
|
||||
center_variance = np.var(center_y, ddof=1) if len(center_y) > 1 else 0
|
||||
analysis[resp_name] = {
|
||||
'mean': mean_y, 'variance': variance, 'std_dev': std_dev, 'cv': cv,
|
||||
'factorial_values': factorial_y, 'center_values': center_y, 'center_variance': center_variance,
|
||||
'n_factorial': len(factorial_y), 'n_center': len(center_y)
|
||||
}
|
||||
return analysis
|
||||
EOF
|
||||
|
||||
# Файл: src/views/__init__.py
|
||||
cat > src/views/__init__.py << 'EOF'
|
||||
from .main_window import MainWindow
|
||||
from .medium_view import MediumCalculatorWindow
|
||||
from .experiment_view import ExperimentDesignWindow
|
||||
|
||||
__all__ = ['MainWindow', 'MediumCalculatorWindow', 'ExperimentDesignWindow']
|
||||
EOF
|
||||
|
||||
# Файл: src/views/main_window.py
|
||||
cat > src/views/main_window.py << 'EOF'
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QPushButton, QLabel, QWidget, QFrame)
|
||||
from PyQt5.QtCore import Qt
|
||||
from PyQt5.QtGui import QFont
|
||||
|
||||
class MainWindow(QMainWindow):
|
||||
def __init__(self):
|
||||
super().__init__()
|
||||
self.setWindowTitle("Цифровой помощник биохимика - Главное меню")
|
||||
self.setGeometry(300, 200, 700, 500)
|
||||
self.setStyleSheet("""
|
||||
QMainWindow { background-color: qlineargradient(x1:0, y1:0, x2:1, y2:1, stop:0 #e8f4f8, stop:1 #f0f0f0); }
|
||||
QPushButton { background-color: #2196F3; color: white; border: none; padding: 15px; font-size: 16px; font-weight: bold; border-radius: 8px; }
|
||||
QPushButton:hover { background-color: #1976D2; }
|
||||
QLabel { color: #333; font-size: 14px; }
|
||||
""")
|
||||
self._init_ui()
|
||||
self.medium_calculator = None
|
||||
self.experiment_window = None
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
self.setCentralWidget(central_widget)
|
||||
layout = QVBoxLayout(central_widget)
|
||||
layout.setSpacing(20)
|
||||
layout.setContentsMargins(50, 50, 50, 50)
|
||||
|
||||
title_label = QLabel("Цифровой помощник биохимика")
|
||||
title_font = QFont()
|
||||
title_font.setPointSize(20)
|
||||
title_font.setBold(True)
|
||||
title_label.setFont(title_font)
|
||||
title_label.setAlignment(Qt.AlignCenter)
|
||||
title_label.setStyleSheet("color: #1565C0;")
|
||||
layout.addWidget(title_label)
|
||||
|
||||
subtitle_label = QLabel("Биотехнологические инструменты для лаборатории")
|
||||
subtitle_font = QFont()
|
||||
subtitle_font.setPointSize(12)
|
||||
subtitle_label.setFont(subtitle_font)
|
||||
subtitle_label.setAlignment(Qt.AlignCenter)
|
||||
subtitle_label.setStyleSheet("color: #666;")
|
||||
layout.addWidget(subtitle_label)
|
||||
|
||||
layout.addSpacing(20)
|
||||
|
||||
btn_medium = QPushButton("🧪 Калькулятор питательных сред")
|
||||
btn_medium.setMinimumHeight(80)
|
||||
btn_medium.clicked.connect(self.open_medium_calculator)
|
||||
layout.addWidget(btn_medium)
|
||||
|
||||
desc1_label = QLabel("Расчёт состава питательной среды с учётом процентного содержания,\nразбавления реагентов и автоматическим расчётом растворителя")
|
||||
desc1_label.setAlignment(Qt.AlignCenter)
|
||||
desc1_label.setWordWrap(True)
|
||||
desc1_label.setStyleSheet("color: #555; font-size: 11px;")
|
||||
layout.addWidget(desc1_label)
|
||||
|
||||
layout.addSpacing(15)
|
||||
|
||||
btn_experiment = QPushButton("📊 Планирование эксперимента (DoE)")
|
||||
btn_experiment.setMinimumHeight(80)
|
||||
btn_experiment.clicked.connect(self.open_experiment_designer)
|
||||
layout.addWidget(btn_experiment)
|
||||
|
||||
desc2_label = QLabel("Дизайн эксперимента, оптимизация процессов,\nмногомерный анализ и визуализация")
|
||||
desc2_label.setAlignment(Qt.AlignCenter)
|
||||
desc2_label.setWordWrap(True)
|
||||
desc2_label.setStyleSheet("color: #555; font-size: 11px;")
|
||||
layout.addWidget(desc2_label)
|
||||
|
||||
layout.addSpacing(15)
|
||||
|
||||
line = QFrame()
|
||||
line.setFrameShape(QFrame.HLine)
|
||||
line.setFrameShadow(QFrame.Sunken)
|
||||
layout.addWidget(line)
|
||||
|
||||
bottom_layout = QHBoxLayout()
|
||||
version_label = QLabel("Версия 1.0.0 | © 2026 Цифровой помощник биохимика")
|
||||
version_label.setStyleSheet("color: #999; font-size: 10px;")
|
||||
bottom_layout.addWidget(version_label)
|
||||
bottom_layout.addStretch()
|
||||
btn_exit = QPushButton("Выход")
|
||||
btn_exit.setMaximumWidth(150)
|
||||
btn_exit.setStyleSheet("QPushButton { background-color: #f44336; padding: 8px; font-size: 14px; } QPushButton:hover { background-color: #da190b; }")
|
||||
btn_exit.clicked.connect(self.close)
|
||||
bottom_layout.addWidget(btn_exit)
|
||||
layout.addLayout(bottom_layout)
|
||||
|
||||
def open_medium_calculator(self):
|
||||
from .medium_view import MediumCalculatorWindow
|
||||
from ..controllers.medium_controller import MediumController
|
||||
self.medium_calculator = MediumCalculatorWindow()
|
||||
self.medium_controller = MediumController(self.medium_calculator)
|
||||
self.medium_calculator.show()
|
||||
|
||||
def open_experiment_designer(self):
|
||||
from .experiment_view import ExperimentDesignWindow
|
||||
from ..controllers.experiment_controller import ExperimentController
|
||||
self.experiment_window = ExperimentDesignWindow()
|
||||
self.experiment_controller = ExperimentController(self.experiment_window)
|
||||
self.experiment_window.show()
|
||||
EOF
|
||||
|
||||
# Файл: src/views/medium_view.py
|
||||
# Обновляем medium_view.py - добавляем кнопку
|
||||
cat > src/views/medium_view.py << 'EOF'
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QTableWidget, QTableWidgetItem,
|
||||
QPushButton, QLabel, QDoubleSpinBox, QComboBox, QLineEdit, QWidget,
|
||||
QMessageBox, QGroupBox, QFrame)
|
||||
from PyQt5.QtCore import Qt
|
||||
QMessageBox, QGroupBox, QFrame, QToolTip)
|
||||
from PyQt5.QtCore import Qt, QPoint
|
||||
from PyQt5.QtGui import QFont, QColor
|
||||
|
||||
class MediumCalculatorWindow(QMainWindow):
|
||||
@@ -380,11 +34,16 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
QPushButton { background-color: #2196F3; color: white; border: none; padding: 8px 15px; border-radius: 4px; font-weight: bold; }
|
||||
QPushButton:hover { background-color: #1976D2; }
|
||||
QPushButton#danger { background-color: #f44336; }
|
||||
QPushButton#danger:hover { background-color: #da190b; }
|
||||
QPushButton#success { background-color: #4CAF50; }
|
||||
QPushButton#success:hover { background-color: #45a049; }
|
||||
QPushButton#doe { background-color: #9C27B0; }
|
||||
QPushButton#doe:hover { background-color: #7B1FA2; }
|
||||
QTableWidget { gridline-color: #ddd; background-color: white; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
self._init_ui()
|
||||
self.doe_window = None
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
@@ -452,6 +111,14 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
self.calculate_btn.setObjectName("success")
|
||||
self.save_btn = QPushButton("💾 Сохранить")
|
||||
self.load_btn = QPushButton("📂 Загрузить")
|
||||
|
||||
# Новая кнопка для передачи в DoE
|
||||
self.to_doe_btn = QPushButton("🎯 В DoE")
|
||||
self.to_doe_btn.setObjectName("doe")
|
||||
self.to_doe_btn.setToolTip("Передать состав реагентов в планировщик эксперимента\n"
|
||||
"Реагенты станут факторами, их концентрации — нулевыми уровнями")
|
||||
|
||||
btn_layout.addWidget(self.to_doe_btn)
|
||||
btn_layout.addWidget(self.calculate_btn)
|
||||
btn_layout.addWidget(self.save_btn)
|
||||
btn_layout.addWidget(self.load_btn)
|
||||
@@ -516,6 +183,34 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
if row > 0:
|
||||
self.table.removeRow(row)
|
||||
|
||||
def get_reagents_data(self):
|
||||
"""Возвращает список реагентов для передачи в DoE"""
|
||||
reagents = []
|
||||
for row in range(1, self.table.rowCount()):
|
||||
name_item = self.table.item(row, 0)
|
||||
percent_item = self.table.item(row, 1)
|
||||
unit_widget = self.table.cellWidget(row, 2)
|
||||
coeff_item = self.table.item(row, 3)
|
||||
|
||||
if not all([name_item, percent_item]):
|
||||
continue
|
||||
|
||||
try:
|
||||
name = name_item.text()
|
||||
percentage = float(percent_item.text())
|
||||
unit = unit_widget.currentText() if unit_widget else "мг"
|
||||
conversion_factor = float(coeff_item.text()) if coeff_item else 1.0
|
||||
|
||||
reagents.append({
|
||||
'name': name,
|
||||
'percentage': percentage,
|
||||
'unit': unit,
|
||||
'conversion_factor': conversion_factor
|
||||
})
|
||||
except ValueError:
|
||||
continue
|
||||
return reagents
|
||||
|
||||
def get_table_data(self):
|
||||
data = []
|
||||
for row in range(1, self.table.rowCount()):
|
||||
@@ -569,9 +264,159 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
|
||||
def show_error(self, message: str):
|
||||
QMessageBox.critical(self, "Ошибка", message)
|
||||
|
||||
def show_info(self, message: str):
|
||||
QMessageBox.information(self, "Информация", message)
|
||||
EOF
|
||||
|
||||
# Файл: src/views/experiment_view.py (полная версия)
|
||||
# Обновляем medium_controller.py - добавляем метод передачи в DoE
|
||||
cat > src/controllers/medium_controller.py << 'EOF'
|
||||
from PyQt5.QtWidgets import QFileDialog, QMessageBox, QTableWidgetItem, QComboBox
|
||||
from PyQt5.QtCore import Qt
|
||||
from PyQt5.QtGui import QColor
|
||||
import json
|
||||
from ..models.medium_model import MediumModel
|
||||
from ..models.reagent import Reagent
|
||||
from ..views.experiment_view import ExperimentDesignWindow
|
||||
|
||||
class MediumController:
|
||||
def __init__(self, view):
|
||||
self.model = MediumModel()
|
||||
self.view = view
|
||||
self.doe_window = None
|
||||
self._connect_signals()
|
||||
self._setup_initial_data()
|
||||
|
||||
def _connect_signals(self):
|
||||
self.view.add_row_btn.clicked.connect(self.add_reagent_row)
|
||||
self.view.remove_row_btn.clicked.connect(self.remove_reagent_row)
|
||||
self.view.calculate_btn.clicked.connect(self._perform_calculation)
|
||||
self.view.save_btn.clicked.connect(self.save_composition)
|
||||
self.view.load_btn.clicked.connect(self.load_composition)
|
||||
self.view.to_doe_btn.clicked.connect(self.send_to_doe)
|
||||
self.view.solvent_input.textChanged.connect(self.view.update_solvent_name)
|
||||
|
||||
def _setup_initial_data(self):
|
||||
self.view.add_initial_rows()
|
||||
|
||||
def add_reagent_row(self):
|
||||
self.view.add_new_row()
|
||||
|
||||
def remove_reagent_row(self):
|
||||
self.view.remove_selected_row()
|
||||
|
||||
def _perform_calculation(self):
|
||||
try:
|
||||
self._update_model_from_view()
|
||||
results, solvent_amount, solvent_percentage = self.model.calculate_amounts()
|
||||
self.view.update_results(results)
|
||||
self.view.update_solvent_result(solvent_amount, self.model.amount_unit)
|
||||
self.view.update_solvent_percent(solvent_percentage)
|
||||
except ValueError as e:
|
||||
self.view.show_error(f"Ошибка в данных: {str(e)}")
|
||||
except Exception as e:
|
||||
self.view.show_error(f"Неожиданная ошибка: {str(e)}")
|
||||
|
||||
def _update_model_from_view(self):
|
||||
self.model.reagents.clear()
|
||||
self.model.total_amount = self.view.amount_input.value()
|
||||
self.model.amount_unit = self.view.amount_unit_combo.currentText()
|
||||
self.model.solvent = self.view.solvent_input.text()
|
||||
for row in range(1, self.view.table.rowCount()):
|
||||
name_item = self.view.table.item(row, 0)
|
||||
percentage_item = self.view.table.item(row, 1)
|
||||
unit_widget = self.view.table.cellWidget(row, 2)
|
||||
conversion_item = self.view.table.item(row, 3)
|
||||
dilution_item = self.view.table.item(row, 4)
|
||||
if not all([name_item, percentage_item, conversion_item]):
|
||||
continue
|
||||
try:
|
||||
name = name_item.text()
|
||||
percentage = float(percentage_item.text())
|
||||
unit = unit_widget.currentText() if unit_widget else "мг"
|
||||
conversion_factor = float(conversion_item.text())
|
||||
dilution_factor = float(dilution_item.text()) if dilution_item else 1.0
|
||||
reagent = Reagent(name, percentage, unit, conversion_factor)
|
||||
reagent.dilution_factor = dilution_factor
|
||||
self.model.reagents.append(reagent)
|
||||
except ValueError as e:
|
||||
raise ValueError(f"Ошибка в строке {row + 1}: {str(e)}")
|
||||
|
||||
def send_to_doe(self):
|
||||
"""Передаёт данные о реагентах в окно планирования эксперимента"""
|
||||
reagents = self.view.get_reagents_data()
|
||||
|
||||
if len(reagents) == 0:
|
||||
self.view.show_error("Нет реагентов для передачи в планировщик эксперимента!")
|
||||
return
|
||||
|
||||
# Создаём или показываем существующее окно DoE
|
||||
if self.doe_window is None:
|
||||
self.doe_window = ExperimentDesignWindow()
|
||||
|
||||
# Передаём данные в окно DoE
|
||||
self.doe_window.load_factors_from_reagents(reagents)
|
||||
self.doe_window.show()
|
||||
self.doe_window.raise_()
|
||||
self.doe_window.activateWindow()
|
||||
|
||||
self.view.show_info(f"Передано {len(reagents)} реагентов в планировщик эксперимента\n"
|
||||
f"Каждый реагент добавлен как фактор.\n"
|
||||
f"Его концентрация (%) установлена как нулевой уровень.")
|
||||
|
||||
def save_composition(self):
|
||||
filename, _ = QFileDialog.getSaveFileName(self.view, "Сохранить состав среды", "", "JSON Files (*.json);;All Files (*)")
|
||||
if filename:
|
||||
if not filename.lower().endswith('.json'):
|
||||
filename += '.json'
|
||||
try:
|
||||
self._update_model_from_view()
|
||||
self.model.save_to_file(filename)
|
||||
QMessageBox.information(self.view, "Успех", "Состав среды успешно сохранён!")
|
||||
except Exception as e:
|
||||
self.view.show_error(f"Ошибка сохранения: {str(e)}")
|
||||
|
||||
def load_composition(self):
|
||||
filename, _ = QFileDialog.getOpenFileName(self.view, "Загрузить состав среды", "", "JSON Files (*.json);;All Files (*)")
|
||||
if filename:
|
||||
try:
|
||||
self.model.load_from_file(filename)
|
||||
self._update_view_from_model()
|
||||
QMessageBox.information(self.view, "Успех", "Состав среды успешно загружен")
|
||||
except FileNotFoundError:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Файл не найден: {filename}")
|
||||
except json.JSONDecodeError as e:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Неверный формат JSON-файла: {str(e)}")
|
||||
except Exception as e:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Ошибка при загрузке состава: {str(e)}")
|
||||
|
||||
def _update_view_from_model(self):
|
||||
while self.view.table.rowCount() > 1:
|
||||
self.view.table.removeRow(1)
|
||||
if self.view.table.rowCount() == 0:
|
||||
self.view.add_solvent_row()
|
||||
self.view.amount_input.setValue(self.model.total_amount)
|
||||
index = self.view.amount_unit_combo.findText(self.model.amount_unit)
|
||||
if index >= 0:
|
||||
self.view.amount_unit_combo.setCurrentIndex(index)
|
||||
self.view.solvent_input.setText(self.model.solvent)
|
||||
self.view.update_solvent_name()
|
||||
for reagent in self.model.reagents:
|
||||
row = self.view.table.rowCount()
|
||||
self.view.table.insertRow(row)
|
||||
self.view.table.setItem(row, 0, QTableWidgetItem(reagent.name))
|
||||
self.view.table.setItem(row, 1, QTableWidgetItem(f"{reagent.percentage:.2f}"))
|
||||
unit_combo = QComboBox()
|
||||
unit_combo.addItems(["нг", "мкг", "мг", "г", "кг", "нл", "мкл", "мл", "л"])
|
||||
unit_combo.setCurrentText(reagent.unit)
|
||||
self.view.table.setCellWidget(row, 2, unit_combo)
|
||||
self.view.table.setItem(row, 3, QTableWidgetItem(f"{reagent.conversion_factor:.2f}"))
|
||||
self.view.table.setItem(row, 4, QTableWidgetItem(f"{getattr(reagent, 'dilution_factor', 1.0):.3f}"))
|
||||
self.view.table.setItem(row, 5, QTableWidgetItem(""))
|
||||
self.view.clear_results()
|
||||
EOF
|
||||
|
||||
# Обновляем experiment_view.py - добавляем метод загрузки факторов из реагентов
|
||||
cat > src/views/experiment_view.py << 'EOF'
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QPushButton, QLabel,
|
||||
QWidget, QMessageBox, QTableWidget, QTableWidgetItem, QGroupBox,
|
||||
@@ -596,6 +441,8 @@ class ExperimentDesignWindow(QMainWindow):
|
||||
QPushButton:hover { background-color: #45a049; }
|
||||
QPushButton#danger { background-color: #f44336; }
|
||||
QPushButton#danger:hover { background-color: #da190b; }
|
||||
QPushButton#doe { background-color: #9C27B0; }
|
||||
QPushButton#doe:hover { background-color: #7B1FA2; }
|
||||
QTableWidget { gridline-color: #ddd; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
@@ -768,6 +615,66 @@ class ExperimentDesignWindow(QMainWindow):
|
||||
self.generated_design = None
|
||||
self.factors_data = None
|
||||
|
||||
def load_factors_from_reagents(self, reagents):
|
||||
"""Загружает факторы из списка реагентов калькулятора"""
|
||||
if not reagents:
|
||||
return
|
||||
|
||||
# Очищаем таблицу факторов
|
||||
self.factors_table.setRowCount(0)
|
||||
|
||||
# Добавляем каждый реагент как фактор
|
||||
for reagent in reagents:
|
||||
row = self.factors_table.rowCount()
|
||||
self.factors_table.insertRow(row)
|
||||
|
||||
# Название фактора = название реагента
|
||||
self.factors_table.setItem(row, 0, QTableWidgetItem(reagent['name']))
|
||||
|
||||
# Нулевой уровень = процентное содержание
|
||||
percentage = reagent['percentage']
|
||||
self.factors_table.setItem(row, 1, QTableWidgetItem(f"{percentage:.2f}"))
|
||||
|
||||
# Шаг = 10% от нулевого уровня (или 1, если нулевой уровень 0)
|
||||
step = max(percentage * 0.1, 1.0) if percentage > 0 else 1.0
|
||||
self.factors_table.setItem(row, 2, QTableWidgetItem(f"{step:.2f}"))
|
||||
|
||||
# Единица измерения
|
||||
unit = reagent['unit']
|
||||
# Преобразуем единицы измерения в понятные для факторов
|
||||
if unit in ['нг', 'мкг', 'мг', 'г', 'кг']:
|
||||
display_unit = unit
|
||||
elif unit in ['нл', 'мкл', 'мл', 'л']:
|
||||
display_unit = unit
|
||||
else:
|
||||
display_unit = "%"
|
||||
self.factors_table.setItem(row, 5, QTableWidgetItem(display_unit))
|
||||
|
||||
# Верхний и нижний уровни (вычисляются автоматически)
|
||||
high = percentage + step
|
||||
low = percentage - step
|
||||
|
||||
high_item = QTableWidgetItem(f"{high:.2f}")
|
||||
high_item.setFlags(high_item.flags() & ~Qt.ItemIsEditable)
|
||||
high_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 3, high_item)
|
||||
|
||||
low_item = QTableWidgetItem(f"{low:.2f}")
|
||||
low_item.setFlags(low_item.flags() & ~Qt.ItemIsEditable)
|
||||
low_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 4, low_item)
|
||||
|
||||
# Показываем сообщение об успешной загрузке
|
||||
QMessageBox.information(
|
||||
self,
|
||||
"Загрузка из калькулятора",
|
||||
f"Загружено {len(reagents)} факторов из калькулятора питательных сред.\n\n"
|
||||
f"Каждый реагент стал фактором.\n"
|
||||
f"Нулевой уровень = концентрация реагента (%)\n"
|
||||
f"Шаг = 10% от нулевого уровня\n\n"
|
||||
f"При необходимости отредактируйте шаг и единицы измерения."
|
||||
)
|
||||
|
||||
def on_factor_changed(self, item):
|
||||
row = item.row()
|
||||
col = item.column()
|
||||
@@ -1045,203 +952,10 @@ class ExperimentDesignWindow(QMainWindow):
|
||||
QMessageBox.critical(self, "Ошибка", message)
|
||||
EOF
|
||||
|
||||
# Файл: src/controllers/__init__.py
|
||||
cat > src/controllers/__init__.py << 'EOF'
|
||||
from .medium_controller import MediumController
|
||||
from .experiment_controller import ExperimentController
|
||||
|
||||
__all__ = ['MediumController', 'ExperimentController']
|
||||
EOF
|
||||
|
||||
# Файл: src/controllers/medium_controller.py
|
||||
cat > src/controllers/medium_controller.py << 'EOF'
|
||||
from PyQt5.QtWidgets import QFileDialog, QMessageBox, QTableWidgetItem, QComboBox
|
||||
from PyQt5.QtCore import Qt
|
||||
from PyQt5.QtGui import QColor
|
||||
import json
|
||||
from ..models.medium_model import MediumModel
|
||||
from ..models.reagent import Reagent
|
||||
|
||||
class MediumController:
|
||||
def __init__(self, view):
|
||||
self.model = MediumModel()
|
||||
self.view = view
|
||||
self._connect_signals()
|
||||
self._setup_initial_data()
|
||||
|
||||
def _connect_signals(self):
|
||||
self.view.add_row_btn.clicked.connect(self.add_reagent_row)
|
||||
self.view.remove_row_btn.clicked.connect(self.remove_reagent_row)
|
||||
self.view.calculate_btn.clicked.connect(self._perform_calculation)
|
||||
self.view.save_btn.clicked.connect(self.save_composition)
|
||||
self.view.load_btn.clicked.connect(self.load_composition)
|
||||
self.view.solvent_input.textChanged.connect(self.view.update_solvent_name)
|
||||
|
||||
def _setup_initial_data(self):
|
||||
self.view.add_initial_rows()
|
||||
|
||||
def add_reagent_row(self):
|
||||
self.view.add_new_row()
|
||||
|
||||
def remove_reagent_row(self):
|
||||
self.view.remove_selected_row()
|
||||
|
||||
def _perform_calculation(self):
|
||||
try:
|
||||
self._update_model_from_view()
|
||||
results, solvent_amount, solvent_percentage = self.model.calculate_amounts()
|
||||
self.view.update_results(results)
|
||||
self.view.update_solvent_result(solvent_amount, self.model.amount_unit)
|
||||
self.view.update_solvent_percent(solvent_percentage)
|
||||
except ValueError as e:
|
||||
self.view.show_error(f"Ошибка в данных: {str(e)}")
|
||||
except Exception as e:
|
||||
self.view.show_error(f"Неожиданная ошибка: {str(e)}")
|
||||
|
||||
def _update_model_from_view(self):
|
||||
self.model.reagents.clear()
|
||||
self.model.total_amount = self.view.amount_input.value()
|
||||
self.model.amount_unit = self.view.amount_unit_combo.currentText()
|
||||
self.model.solvent = self.view.solvent_input.text()
|
||||
for row in range(1, self.view.table.rowCount()):
|
||||
name_item = self.view.table.item(row, 0)
|
||||
percentage_item = self.view.table.item(row, 1)
|
||||
unit_widget = self.view.table.cellWidget(row, 2)
|
||||
conversion_item = self.view.table.item(row, 3)
|
||||
dilution_item = self.view.table.item(row, 4)
|
||||
if not all([name_item, percentage_item, conversion_item]):
|
||||
continue
|
||||
try:
|
||||
name = name_item.text()
|
||||
percentage = float(percentage_item.text())
|
||||
unit = unit_widget.currentText() if unit_widget else "мг"
|
||||
conversion_factor = float(conversion_item.text())
|
||||
dilution_factor = float(dilution_item.text()) if dilution_item else 1.0
|
||||
reagent = Reagent(name, percentage, unit, conversion_factor)
|
||||
reagent.dilution_factor = dilution_factor
|
||||
self.model.reagents.append(reagent)
|
||||
except ValueError as e:
|
||||
raise ValueError(f"Ошибка в строке {row + 1}: {str(e)}")
|
||||
|
||||
def save_composition(self):
|
||||
filename, _ = QFileDialog.getSaveFileName(self.view, "Сохранить состав среды", "", "JSON Files (*.json);;All Files (*)")
|
||||
if filename:
|
||||
if not filename.lower().endswith('.json'):
|
||||
filename += '.json'
|
||||
try:
|
||||
self._update_model_from_view()
|
||||
self.model.save_to_file(filename)
|
||||
QMessageBox.information(self.view, "Успех", "Состав среды успешно сохранён!")
|
||||
except Exception as e:
|
||||
self.view.show_error(f"Ошибка сохранения: {str(e)}")
|
||||
|
||||
def load_composition(self):
|
||||
filename, _ = QFileDialog.getOpenFileName(self.view, "Загрузить состав среды", "", "JSON Files (*.json);;All Files (*)")
|
||||
if filename:
|
||||
try:
|
||||
self.model.load_from_file(filename)
|
||||
self._update_view_from_model()
|
||||
QMessageBox.information(self.view, "Успех", "Состав среды успешно загружен")
|
||||
except FileNotFoundError:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Файл не найден: {filename}")
|
||||
except json.JSONDecodeError as e:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Неверный формат JSON-файла: {str(e)}")
|
||||
except Exception as e:
|
||||
QMessageBox.critical(self.view, "Ошибка", f"Ошибка при загрузке состава: {str(e)}")
|
||||
|
||||
def _update_view_from_model(self):
|
||||
while self.view.table.rowCount() > 1:
|
||||
self.view.table.removeRow(1)
|
||||
if self.view.table.rowCount() == 0:
|
||||
self.view.add_solvent_row()
|
||||
self.view.amount_input.setValue(self.model.total_amount)
|
||||
index = self.view.amount_unit_combo.findText(self.model.amount_unit)
|
||||
if index >= 0:
|
||||
self.view.amount_unit_combo.setCurrentIndex(index)
|
||||
self.view.solvent_input.setText(self.model.solvent)
|
||||
self.view.update_solvent_name()
|
||||
for reagent in self.model.reagents:
|
||||
row = self.view.table.rowCount()
|
||||
self.view.table.insertRow(row)
|
||||
self.view.table.setItem(row, 0, QTableWidgetItem(reagent.name))
|
||||
self.view.table.setItem(row, 1, QTableWidgetItem(f"{reagent.percentage:.2f}"))
|
||||
unit_combo = QComboBox()
|
||||
unit_combo.addItems(["нг", "мкг", "мг", "г", "кг", "нл", "мкл", "мл", "л"])
|
||||
unit_combo.setCurrentText(reagent.unit)
|
||||
self.view.table.setCellWidget(row, 2, unit_combo)
|
||||
self.view.table.setItem(row, 3, QTableWidgetItem(f"{reagent.conversion_factor:.2f}"))
|
||||
self.view.table.setItem(row, 4, QTableWidgetItem(f"{getattr(reagent, 'dilution_factor', 1.0):.3f}"))
|
||||
self.view.table.setItem(row, 5, QTableWidgetItem(""))
|
||||
self.view.clear_results()
|
||||
EOF
|
||||
|
||||
# Файл: src/controllers/experiment_controller.py
|
||||
cat > src/controllers/experiment_controller.py << 'EOF'
|
||||
from ..models.experiment_model import ExperimentModel
|
||||
|
||||
class ExperimentController:
|
||||
def __init__(self, view):
|
||||
self.model = ExperimentModel()
|
||||
self.view = view
|
||||
|
||||
def update_model_from_view(self):
|
||||
factors = self.view.get_factors_data()
|
||||
self.model.set_factors(factors)
|
||||
|
||||
responses = []
|
||||
for row in range(self.view.responses_table.rowCount()):
|
||||
name_item = self.view.responses_table.item(row, 0)
|
||||
unit_item = self.view.responses_table.item(row, 1)
|
||||
if name_item:
|
||||
responses.append({
|
||||
'name': name_item.text(),
|
||||
'unit': unit_item.text() if unit_item else ""
|
||||
})
|
||||
self.model.set_responses(responses)
|
||||
self.model.set_center_points(self.view.center_points_spin.value())
|
||||
self.model.set_randomize(self.view.randomize_check.isChecked())
|
||||
EOF
|
||||
|
||||
# Файл: main.py
|
||||
cat > main.py << 'EOF'
|
||||
import sys
|
||||
import os
|
||||
sys.path.insert(0, os.path.join(os.path.dirname(__file__), 'src'))
|
||||
|
||||
from PyQt5.QtWidgets import QApplication
|
||||
from src.views import MainWindow
|
||||
|
||||
def main():
|
||||
app = QApplication(sys.argv)
|
||||
app.setStyle('Fusion')
|
||||
assistant = MainWindow()
|
||||
assistant.show()
|
||||
sys.exit(app.exec_())
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
EOF
|
||||
|
||||
# Файл: run.sh
|
||||
cat > run.sh << 'EOF'
|
||||
#!/bin/bash
|
||||
python3 main.py
|
||||
EOF
|
||||
chmod +x run.sh
|
||||
|
||||
# Файл: requirements.txt
|
||||
cat > requirements.txt << 'EOF'
|
||||
PyQt5>=5.15.0
|
||||
numpy>=1.19.0
|
||||
EOF
|
||||
|
||||
echo -e "${GREEN}========================================${NC}"
|
||||
echo -e "${GREEN}Реорганизация завершена!${NC}"
|
||||
echo -e "${GREEN}Обновление завершено!${NC}"
|
||||
echo -e "${GREEN}========================================${NC}"
|
||||
echo -e "${YELLOW}Для запуска обновлённой версии:${NC}"
|
||||
echo -e "${GREEN}python3 main.py${NC}"
|
||||
echo -e "${YELLOW}Добавлена кнопка «🎯 В DoE» в калькулятор питательных сред${NC}"
|
||||
echo -e "${YELLOW}При нажатии реагенты передаются в планировщик как факторы${NC}"
|
||||
echo ""
|
||||
echo -e "${GREEN}или${NC}"
|
||||
echo -e "${GREEN}./run.sh${NC}"
|
||||
echo ""
|
||||
echo -e "${YELLOW}Бэкап старых файлов:${NC} $BACKUP_DIR"
|
||||
echo -e "${GREEN}Запуск: python3 main.py${NC}"
|
||||
|
||||
@@ -4,11 +4,13 @@ from PyQt5.QtGui import QColor
|
||||
import json
|
||||
from ..models.medium_model import MediumModel
|
||||
from ..models.reagent import Reagent
|
||||
from ..views.experiment_view import ExperimentDesignWindow
|
||||
|
||||
class MediumController:
|
||||
def __init__(self, view):
|
||||
self.model = MediumModel()
|
||||
self.view = view
|
||||
self.doe_window = None
|
||||
self._connect_signals()
|
||||
self._setup_initial_data()
|
||||
|
||||
@@ -18,6 +20,7 @@ class MediumController:
|
||||
self.view.calculate_btn.clicked.connect(self._perform_calculation)
|
||||
self.view.save_btn.clicked.connect(self.save_composition)
|
||||
self.view.load_btn.clicked.connect(self.load_composition)
|
||||
self.view.to_doe_btn.clicked.connect(self.send_to_doe)
|
||||
self.view.solvent_input.textChanged.connect(self.view.update_solvent_name)
|
||||
|
||||
def _setup_initial_data(self):
|
||||
@@ -66,6 +69,28 @@ class MediumController:
|
||||
except ValueError as e:
|
||||
raise ValueError(f"Ошибка в строке {row + 1}: {str(e)}")
|
||||
|
||||
def send_to_doe(self):
|
||||
"""Передаёт данные о реагентах в окно планирования эксперимента"""
|
||||
reagents = self.view.get_reagents_data()
|
||||
|
||||
if len(reagents) == 0:
|
||||
self.view.show_error("Нет реагентов для передачи в планировщик эксперимента!")
|
||||
return
|
||||
|
||||
# Создаём или показываем существующее окно DoE
|
||||
if self.doe_window is None:
|
||||
self.doe_window = ExperimentDesignWindow()
|
||||
|
||||
# Передаём данные в окно DoE
|
||||
self.doe_window.load_factors_from_reagents(reagents)
|
||||
self.doe_window.show()
|
||||
self.doe_window.raise_()
|
||||
self.doe_window.activateWindow()
|
||||
|
||||
self.view.show_info(f"Передано {len(reagents)} реагентов в планировщик эксперимента\n"
|
||||
f"Каждый реагент добавлен как фактор.\n"
|
||||
f"Его концентрация (%) установлена как нулевой уровень.")
|
||||
|
||||
def save_composition(self):
|
||||
filename, _ = QFileDialog.getSaveFileName(self.view, "Сохранить состав среды", "", "JSON Files (*.json);;All Files (*)")
|
||||
if filename:
|
||||
|
||||
@@ -21,6 +21,8 @@ class ExperimentDesignWindow(QMainWindow):
|
||||
QPushButton:hover { background-color: #45a049; }
|
||||
QPushButton#danger { background-color: #f44336; }
|
||||
QPushButton#danger:hover { background-color: #da190b; }
|
||||
QPushButton#doe { background-color: #9C27B0; }
|
||||
QPushButton#doe:hover { background-color: #7B1FA2; }
|
||||
QTableWidget { gridline-color: #ddd; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
@@ -193,6 +195,66 @@ class ExperimentDesignWindow(QMainWindow):
|
||||
self.generated_design = None
|
||||
self.factors_data = None
|
||||
|
||||
def load_factors_from_reagents(self, reagents):
|
||||
"""Загружает факторы из списка реагентов калькулятора"""
|
||||
if not reagents:
|
||||
return
|
||||
|
||||
# Очищаем таблицу факторов
|
||||
self.factors_table.setRowCount(0)
|
||||
|
||||
# Добавляем каждый реагент как фактор
|
||||
for reagent in reagents:
|
||||
row = self.factors_table.rowCount()
|
||||
self.factors_table.insertRow(row)
|
||||
|
||||
# Название фактора = название реагента
|
||||
self.factors_table.setItem(row, 0, QTableWidgetItem(reagent['name']))
|
||||
|
||||
# Нулевой уровень = процентное содержание
|
||||
percentage = reagent['percentage']
|
||||
self.factors_table.setItem(row, 1, QTableWidgetItem(f"{percentage:.2f}"))
|
||||
|
||||
# Шаг = 10% от нулевого уровня (или 1, если нулевой уровень 0)
|
||||
step = max(percentage * 0.1, 1.0) if percentage > 0 else 1.0
|
||||
self.factors_table.setItem(row, 2, QTableWidgetItem(f"{step:.2f}"))
|
||||
|
||||
# Единица измерения
|
||||
unit = reagent['unit']
|
||||
# Преобразуем единицы измерения в понятные для факторов
|
||||
if unit in ['нг', 'мкг', 'мг', 'г', 'кг']:
|
||||
display_unit = unit
|
||||
elif unit in ['нл', 'мкл', 'мл', 'л']:
|
||||
display_unit = unit
|
||||
else:
|
||||
display_unit = "%"
|
||||
self.factors_table.setItem(row, 5, QTableWidgetItem(display_unit))
|
||||
|
||||
# Верхний и нижний уровни (вычисляются автоматически)
|
||||
high = percentage + step
|
||||
low = percentage - step
|
||||
|
||||
high_item = QTableWidgetItem(f"{high:.2f}")
|
||||
high_item.setFlags(high_item.flags() & ~Qt.ItemIsEditable)
|
||||
high_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 3, high_item)
|
||||
|
||||
low_item = QTableWidgetItem(f"{low:.2f}")
|
||||
low_item.setFlags(low_item.flags() & ~Qt.ItemIsEditable)
|
||||
low_item.setBackground(QColor(240, 240, 240))
|
||||
self.factors_table.setItem(row, 4, low_item)
|
||||
|
||||
# Показываем сообщение об успешной загрузке
|
||||
QMessageBox.information(
|
||||
self,
|
||||
"Загрузка из калькулятора",
|
||||
f"Загружено {len(reagents)} факторов из калькулятора питательных сред.\n\n"
|
||||
f"Каждый реагент стал фактором.\n"
|
||||
f"Нулевой уровень = концентрация реагента (%)\n"
|
||||
f"Шаг = 10% от нулевого уровня\n\n"
|
||||
f"При необходимости отредактируйте шаг и единицы измерения."
|
||||
)
|
||||
|
||||
def on_factor_changed(self, item):
|
||||
row = item.row()
|
||||
col = item.column()
|
||||
|
||||
@@ -1,7 +1,7 @@
|
||||
from PyQt5.QtWidgets import (QMainWindow, QVBoxLayout, QHBoxLayout, QTableWidget, QTableWidgetItem,
|
||||
QPushButton, QLabel, QDoubleSpinBox, QComboBox, QLineEdit, QWidget,
|
||||
QMessageBox, QGroupBox, QFrame)
|
||||
from PyQt5.QtCore import Qt
|
||||
QMessageBox, QGroupBox, QFrame, QToolTip)
|
||||
from PyQt5.QtCore import Qt, QPoint
|
||||
from PyQt5.QtGui import QFont, QColor
|
||||
|
||||
class MediumCalculatorWindow(QMainWindow):
|
||||
@@ -16,11 +16,16 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
QPushButton { background-color: #2196F3; color: white; border: none; padding: 8px 15px; border-radius: 4px; font-weight: bold; }
|
||||
QPushButton:hover { background-color: #1976D2; }
|
||||
QPushButton#danger { background-color: #f44336; }
|
||||
QPushButton#danger:hover { background-color: #da190b; }
|
||||
QPushButton#success { background-color: #4CAF50; }
|
||||
QPushButton#success:hover { background-color: #45a049; }
|
||||
QPushButton#doe { background-color: #9C27B0; }
|
||||
QPushButton#doe:hover { background-color: #7B1FA2; }
|
||||
QTableWidget { gridline-color: #ddd; background-color: white; }
|
||||
QHeaderView::section { background-color: #1565C0; color: white; padding: 8px; font-weight: bold; }
|
||||
""")
|
||||
self._init_ui()
|
||||
self.doe_window = None
|
||||
|
||||
def _init_ui(self):
|
||||
central_widget = QWidget()
|
||||
@@ -88,6 +93,14 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
self.calculate_btn.setObjectName("success")
|
||||
self.save_btn = QPushButton("💾 Сохранить")
|
||||
self.load_btn = QPushButton("📂 Загрузить")
|
||||
|
||||
# Новая кнопка для передачи в DoE
|
||||
self.to_doe_btn = QPushButton("🎯 В DoE")
|
||||
self.to_doe_btn.setObjectName("doe")
|
||||
self.to_doe_btn.setToolTip("Передать состав реагентов в планировщик эксперимента\n"
|
||||
"Реагенты станут факторами, их концентрации — нулевыми уровнями")
|
||||
|
||||
btn_layout.addWidget(self.to_doe_btn)
|
||||
btn_layout.addWidget(self.calculate_btn)
|
||||
btn_layout.addWidget(self.save_btn)
|
||||
btn_layout.addWidget(self.load_btn)
|
||||
@@ -152,6 +165,34 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
if row > 0:
|
||||
self.table.removeRow(row)
|
||||
|
||||
def get_reagents_data(self):
|
||||
"""Возвращает список реагентов для передачи в DoE"""
|
||||
reagents = []
|
||||
for row in range(1, self.table.rowCount()):
|
||||
name_item = self.table.item(row, 0)
|
||||
percent_item = self.table.item(row, 1)
|
||||
unit_widget = self.table.cellWidget(row, 2)
|
||||
coeff_item = self.table.item(row, 3)
|
||||
|
||||
if not all([name_item, percent_item]):
|
||||
continue
|
||||
|
||||
try:
|
||||
name = name_item.text()
|
||||
percentage = float(percent_item.text())
|
||||
unit = unit_widget.currentText() if unit_widget else "мг"
|
||||
conversion_factor = float(coeff_item.text()) if coeff_item else 1.0
|
||||
|
||||
reagents.append({
|
||||
'name': name,
|
||||
'percentage': percentage,
|
||||
'unit': unit,
|
||||
'conversion_factor': conversion_factor
|
||||
})
|
||||
except ValueError:
|
||||
continue
|
||||
return reagents
|
||||
|
||||
def get_table_data(self):
|
||||
data = []
|
||||
for row in range(1, self.table.rowCount()):
|
||||
@@ -205,3 +246,6 @@ class MediumCalculatorWindow(QMainWindow):
|
||||
|
||||
def show_error(self, message: str):
|
||||
QMessageBox.critical(self, "Ошибка", message)
|
||||
|
||||
def show_info(self, message: str):
|
||||
QMessageBox.information(self, "Информация", message)
|
||||
|
||||
Reference in New Issue
Block a user