文件列表:

app/
docs/
setup/
Testprotokoll_ReferenceDB.xlsx
config.py
requirements.txt
requirements_pip.txt
start.py

# Reference DB This repository containes the python code that was used to develop an internal tool at the FH WN, campus Tulln. The aim of the project was to create a database and webinterface that allows the storage and querying of surface-enhanced raman spectra. The project was realized by Lukas Steininger with python flask as a server side rendering backend and html for the template files. ## Setup In order to use this tool you need to download the repository. ### Conda Conda is a tool for managing dependencies and virtual environments. The file **requirements.txt** holds the required packages for the conda environment\ You can create a conda environment with the required packages by using this command:\ `conda create --name refdb --file requirements.txt` ### Database The database is a sqlite database. It is a database that uses a .db file to store its entries. No database server is needed. The database can be created by running the module **setup**. Running this does a few things: * creates a database with the name **app.db** in the directory specified in **conf.py** (DATABASE) * adds all the required tables to the database (see models.py) * adds the default user groups **admin** and **user** to the database * adds a **default admin user** to the database * adds the three **default spectra_types** to the database You can run setup with the following command:\ `python -m setup` When executing the setup, make sure that the correct conda environment is activated. ### Starting the application The entry point of the application is the file start.py\ It can be started using the following command\ `python -m start` When executing the start, make sure that the correct conda environment is activated. By default, the programm creates a sqlite database file called **app.db** and stores spectra in a directory called **appdata**. However, this can be changed in the file **config.py** by changing the values of the variables **DATABASE** and **APPDATA**. ## Export and Backup of the data Since a sqlite database is used, the data can be exported and backed up by simply copying the database file. In addition to that, the directory **appdata** needs to be copied as well, because it contains the spectra. When moving the application to a new location, the database file and the appdata directory both need to be in the directories specified in the **config.py** file. By default, this is the root directory. ## Interaction ### Authentication The database only allows authenticated users to access and alter its data. Thus, the webapp provides functionality for signing up and login in. The sign-up and login pages can be accessed via links on the home page. Additionally, admins can activate, deactivate or delete users completely. For that you have to navigate to WEBADDRESS/admin in the browser. The default credentials for the admin user are: * mail: admin@refdb.at * password: surfaceenhanced It is recommended to create a new, custom admin user and delete the default admin user. ### Ressource administration Resources which can be used for measuring a compound, can and should be administered. This takes away sources of errors when creating a new compound, since the user has to choose from available options. E.g the user can add a new lens to the database. This lens can then be used when creating a new compound. The user does not have to type in the name of the lens, but can choose from a list of available lenses. ### Adding of compounds A compound holds all the information of its measurement (date, user, lenses, ...) and also the data points of the spectra itself. The user can add a new compound by filling out a form. Spectra can be added by uploading a file either directly or later. These spectra are then used to query the database against a given set of wave-numbers. ### Querying of compounds The user can use a set of wave-numbers and tolerance value (applied to all wave-numbers) to query all available spectra. If a spectrum contains any of the specified wave-numbers, it is classified as a match. All the matches are grouped and returned to the user in order to allow further interaction and interpretation.

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