diff --git a/PyPI/setup.cfg b/PyPI/setup.cfg index 388ea7a..510432c 100644 --- a/PyPI/setup.cfg +++ b/PyPI/setup.cfg @@ -1,7 +1,7 @@ [metadata] # replace with your username: name = guan -version = 0.1.159 +version = 0.1.160 author = guanjihuan author_email = guanjihuan@163.com description = An open source python package diff --git a/PyPI/src/guan.egg-info/PKG-INFO b/PyPI/src/guan.egg-info/PKG-INFO index 64752fc..1ec2a49 100644 --- a/PyPI/src/guan.egg-info/PKG-INFO +++ b/PyPI/src/guan.egg-info/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 2.2 Name: guan -Version: 0.1.159 +Version: 0.1.160 Summary: An open source python package Home-page: https://py.guanjihuan.com Author: guanjihuan diff --git a/PyPI/src/guan/functions_using_objects_of_custom_classes.py b/PyPI/src/guan/functions_using_objects_of_custom_classes.py index 1df4c3f..412a1a5 100644 --- a/PyPI/src/guan/functions_using_objects_of_custom_classes.py +++ b/PyPI/src/guan/functions_using_objects_of_custom_classes.py @@ -9,6 +9,22 @@ def get_coordinate_array_from_atom_object_list(atom_object_list): coordinate_array.append([x, y]) return coordinate_array +# 从原子对象列表中获取 x 和 y 的最大值和最小值 +def get_max_min_x_y_from_atom_object_list(atom_object_list): + import guan + coordinate_array = guan.get_coordinate_array_from_atom_object_list(atom_object_list) + x_array = [] + for coordinate in coordinate_array: + x_array.append(coordinate[0]) + y_array = [] + for coordinate in coordinate_array: + y_array.append(coordinate[1]) + max_x = max(x_array) + min_x = min(x_array) + max_y = max(y_array) + min_y = min(y_array) + return max_x, min_x, max_y, min_y + # 根据原子对象列表来初始化哈密顿量 def initialize_hamiltonian_from_atom_object_list(atom_object_list): import numpy as np