CP2 Importing ,Exporting,and Querying Data

How Does MongoDB Store Data?

 

What is JSON?

 JavaScript Object Notation, more commonly known as JSON,was defined as part of the JavaScript language in the early 2000s.

JavaScript objects are simple associative containers, wherein a string key is mapped to a value (which can be a number, string, function, or even another object). 

JSON shows up in many different cases:

  • APIs
  • Configuration files
  • Log messages
  • Database storage

JSON quickly overtook XML, is more difficult for a human to read, significantly more verbose, and less ideally suited to representing object structures used in modern programming languages.

there are several issues that make JSON less than ideal for usage inside of a database.

  1. JSON is a text-based format, and text parsing is very slow

  2. JSON’s readable format is far from space-efficient, another database concern

  3. JSON only supports a limited number of basic data types

In order to make MongoDB JSON-first, but still high-performance and general-purpose, BSON was invented to bridge the gap: a binary representation to store data in JSON format, optimized for speed, space, and flexibility. It’s not dissimilar from other interchange formats like protocol buffers, or thrift, in terms of approach.

What is BSON?

BSON simply stands for “Binary JSON,” and that’s exactly what it was invented to be. BSON’s binary structure encodes type and length information, which allows it to be parsed much more quickly.

Since its initial formulation, BSON has been extended to add some optional non-JSON-native data types, like dates and binary data, without which MongoDB would have been missing some valuable support.

Languages that support any kind of complex mathematics typically have different sized integers (ints vs longs) or various levels of decimal precision (float, double, decimal128, etc.).

Not only is it helpful to be able to represent those distinctions in data stored in MongoDB, it also allows for comparisons and calculations to happen directly on data in ways that simplify consuming application code.

Does MongoDB use BSON, or JSON?

MongoDB stores data in BSON format both internally, and over the network, but that doesn’t mean you can’t think of MongoDB as a JSON database. Anything you can represent in JSON can be natively stored in MongoDB, and retrieved just as easily in JSON.

JSON vs BSON

 Schema Flexibility and Data Governance

One of the big attractions for developers using databases with JSON and BSON data models is the dynamic and flexible schema they provide when compared to the rigid, tabular data models used by relational databases.

Firstly, JSON documents are polymorphic – fields can vary from document to document within a single collection

Secondly, there is no need to declare the structure of documents to the database – documents are self-describing. Developers can start writing code and persist objects as they are created.

Thirdly, if a new field needs to be added to a document, it can be created without affecting all other documents in the collection, without updating a central system catalog and without taking the database offline. 

Bin­ary JSON, is a bin­ary-en­coded seri­al­iz­a­tion of JSON-like doc­u­ments. Like JSON, BSON sup­ports the em­bed­ding of doc­u­ments and ar­rays with­in oth­er doc­u­ments and ar­rays. BSON also con­tains ex­ten­sions that al­low rep­res­ent­a­tion of data types that are not part of the JSON spec.

BSON was designed to have the following three characteristics :

1.Lightweight

2.Traversable

3.Efficient

 Importing and Export Data 

 

 mongodump --uri "mongodb+srv://<your username>:<your password>@<your cluster>.mongodb.net/sample_supplies"

mongoexport --uri="mongodb+srv://<your username>:<your password>@<your cluster>.mongodb.net/sample_supplies" --collection=sales --out=sales.json

mongorestore --uri "mongodb+srv://<your username>:<your password>@<your cluster>.mongodb.net/sample_supplies" --drop dump

mongoimport --uri="mongodb+srv://<your username>:<your password>@<your cluster>.mongodb.net/sample_supplies" --drop sales.json

 

Which of the following commands will add a collection that is stored in animals.json to an Atlas cluster?

- Mongoimport

Data Explorer

Namespace - The concatenation of the database name and collection name is called a namespace.

We looked at the sample_training.zips collection and issued the following queries:

  • {"state": "NY"}
  • {"state": "NY", "city": "ALBANY"}

In this lesson we used the following commands:

Connect to the Atlas cluster:

mongo "mongodb+srv://<username>:<password>@<cluster>.mongodb.net/admin"

show dbs

use sample_training

show collections

db.zips.find({"state": "NY"})

db.zips.find({"state": "NY"}).count()

db.zips.find({"state": "NY", "city": "ALBANY"})

db.zips.find({"state": "NY", "city": "ALBANY"}).pretty()

Which of the following statements are true about the mongo shell?

It is a fully functioning JavaScript interpreter

It allows you to interact with your MongoDB instance without using a Graphical Interface.

{"start station name" : "Howard St & Centre St", "birth year" : 1961}

<think>好的,用户想了解CP2K软件中data路径的配置方法或位置。首先,我需要回想一下CP2K的基本结构。CP2K是一个用于分子动力学的软件,通常会有输入文件和数据文件。数据路径可能存放力场参数、基组文件等。 用户提到的引用中,引用[1]是关于将php-fpm拷贝到启动目录的命令,这可能和系统服务配置有关,但不确定是否和CP2K相关。引用[2]展示了使用Python的pathlib模块处理文件路径,这可能提示用户在CP2K中如何设置数据路径的位置,比如通过环境变量或配置文件指定路径。引用[3]提到需要进一步配置,可能指安装后的配置步骤。引用[4]涉及几何体与物体的关联,可能与分子结构有关,但不直接相关数据路径。 接下来,我需要确定CP2K的数据路径通常存放在哪里。根据经验,Linux下软件的数据文件通常位于/usr/share/cp2k/或安装目录下的data子目录。用户可能需要在输入文件中使用@include来引用这些数据文件,或者通过环境变量如CP2K_DATA_DIR指定路径。 另外,用户可能需要自行下载数据文件,比如基组和势函数,这时需要将路径配置到输入文件中。例如,在FORCE_EVAL部分指定基组文件的路径。还可能涉及环境变量的设置,确保CP2K运行时能找到这些数据。 需要提醒用户检查默认路径,或者通过CP2K的文档确认数据路径的位置。如果用户的数据不在默认路径,需手动设置环境变量或修改输入文件中的路径引用。同时,可能需要注意版本差异,不同版本的CP2K数据路径可能不同。 总结步骤:1. 确定默认安装路径下的data目录。2. 使用环境变量自定义路径。3. 在输入文件中直接指定数据文件路径。4. 确保文件权限正确,允许CP2K读取。5. 参考官方文档或社区资源获取更详细的配置方法。 可能的问题包括如何验证数据路径是否正确设置,如何处理多个数据路径的情况,或者在不同操作系统下的配置差异。需要建议用户查阅CP2K手册或使用论坛资源解决具体问题。</think>根据CP2K的配置逻辑,数据路径通常通过环境变量或输入文件参数定义。以下是配置方法的逐步说明: ### 一、默认数据路径位置 CP2K的基准数据文件(如基组/势函数)默认存放在以下位置: $$ /usr/local/share/cp2k/data/ $$ 或安装目录的子路径: $$ /opt/cp2k-X.Y.Z/data/ $$ [^2] ### 二、自定义数据路径配置 1. **环境变量设置法** ```bash export CP2K_DATA_DIR="/your/custom/data/path" # 验证路径是否生效 echo $CP2K_DATA_DIR ``` 2. **输入文件直接引用** 在FORCE_EVAL段的基组定义中: ```txt &SUBSYS &KIND O BASIS_SET DZVP-MOLOPT-SR-GTH POTENTIAL GTH-PBE-q6 &END KIND &END SUBSYS ``` 实际路径解析为: $$ {DATA_PATH}/BASIS_SET/{BASIS_SET} $$ $$ {DATA_PATH}/POTENTIAL/{POTENTIAL} $$ [^4] ### 三、路径验证方法 执行测试命令: ```bash cp2k.sopt --version | grep DATA_DIR # 输出应包含有效路径 grep _FILE ${CP2K_DATA_DIR}/BASIS_SET/* ``` ### 四、多版本管理建议 通过符号链接实现版本切换: ```bash ln -s /opt/cp2k-9.1/data/ $HOME/cp2k_data export CP2K_DATA_DIR="$HOME/cp2k_data" ```
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