from pymatgen.core import Structure
from pymatgen.core.periodic_table import Element, Specie
from pymatgen.io.cif import CifWriter

from crystal_2 import crystal
import crystal_2
import os
import shutil
from pymatgen.io.cif import CifWriter


def read_files_check_partical(input_folder,output_folder):
    file_contents = []
    folder_path = input_folder
    if not os.path.exists(folder_path):
        print(f"{folder_path} 文件夹不存在")
        return file_contents

    for filename in os.listdir(folder_path):
        file_path = os.path.join(folder_path, filename)

        if os.path.isfile(file_path):
            try:
                temp = crystal(file_path)
                file_contents.append(temp)
                print(f"正在处理{filename}")
                temp.check_practical()
                if temp.check_practical_result:
                    target_folder = output_folder
                    if not os.path.exists(target_folder):
                        os.makedirs(target_folder)

                    # 目标文件路径
                    target_file_path = os.path.join(target_folder, filename)

                    # 复制文件到目标文件夹
                    shutil.copy(file_path, target_file_path)
                    print(f"文件 {filename}通过实际筛选，已复制到 {target_folder}")
            except Exception as e:
                print(e)



def work_py(input_folder, output_folder):
    if not os.path.exists(output_folder):
        print("not exists")
    for filename in os.listdir(input_folder):
        target_folder = os.path.join(output_folder, filename)
        from_folder = os.path.join(input_folder, filename)
        read_files_check_partical(from_folder, target_folder)

if __name__ == "__main__":
    # work_py('../data/after_step4','../data/after_step5')
    # read_files_check_partical('../data/after_step4/O','../data/after_step5/O')
    # read_files_check_partical('../data/after_step4/S','../data/after_step5/S')
    read_files_check_partical('../data/after_step4/Cl','../data/after_step5/Cl')
    read_files_check_partical('../data/after_step4/Br','../data/after_step5/Br')