From 7176bc5d57c8c0ec99761790b728508e5345313f Mon Sep 17 00:00:00 2001 From: guanjihuan Date: Sun, 23 Mar 2025 20:42:10 +0800 Subject: [PATCH] 0.1.170 --- PyPI/setup.cfg | 2 +- PyPI/src/guan.egg-info/PKG-INFO | 2 +- ...nctions_using_objects_of_custom_classes.py | 19 ++++++++++++++++++- 3 files changed, 20 insertions(+), 3 deletions(-) diff --git a/PyPI/setup.cfg b/PyPI/setup.cfg index 79eb742..77f97cb 100644 --- a/PyPI/setup.cfg +++ b/PyPI/setup.cfg @@ -1,7 +1,7 @@ [metadata] # replace with your username: name = guan -version = 0.1.169 +version = 0.1.170 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 cbd7ac3..7094003 100644 --- a/PyPI/src/guan.egg-info/PKG-INFO +++ b/PyPI/src/guan.egg-info/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 2.4 Name: guan -Version: 0.1.169 +Version: 0.1.170 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 7de723f..75371b6 100644 --- a/PyPI/src/guan/functions_using_objects_of_custom_classes.py +++ b/PyPI/src/guan/functions_using_objects_of_custom_classes.py @@ -1,4 +1,21 @@ -# functions_using_objects_of_custom_classes +# Module: functions_using_objects_of_custom_classes + +# 将原子对象列表转成多个独立列表 +def convert_atom_object_list_to_multiple_lists(atom_object_list): + name_list = [] + index_list = [] + x_list = [] + y_list = [] + z_list = [] + energy_list = [] + for atom_object in atom_object_list: + name_list.append(atom_object.name) + index_list.append(atom_object.index) + x_list.append(atom_object.x) + y_list.append(atom_object.y) + z_list.append(atom_object.z) + energy_list.append(atom_object.energy) + return name_list, index_list, x_list, y_list, z_list, energy_list # 将原子对象列表转成原子字典列表 def convert_atom_object_list_to_atom_dict_list(atom_object_list):