README

A TYPO3 CMS extension for automatic generation of IUPAC nomenclature for chemical structures.

Description

This extension provides a comprehensive solution for automatically naming chemical compounds according to IUPAC rules. It supports various classes of organic compounds and can be used in TYPO3 CMS 12.x.

Features

• Automatic IUPAC Nomenclature: Generates correct IUPAC names for chemical structures
• Alkane Support: Complete naming of alkanes (methane, ethane, propane, etc.)
• Extensible Architecture: Modular structure for easy extensions
• TYPO3 CMS Integration: Seamless integration with TYPO3 CMS 12.x
• Frontend Controllers: Provides frontend functionality

Installation

Via Composer (recommended)

composer require ayhan-koyun/iupacnomenclature

Manual Installation

1. Download the extension
2. Extract it to the packages/ folder of your TYPO3 project
3. Install the extension via TYPO3 Extension Manager

Usage

Backend

After installation, a new backend module will be available:

1. Go to TYPO3 Backend
2. Navigate to the "IUPAC Nomenclature" module
3. Enter a chemical structure
4. Get the correct IUPAC name generated

Frontend

The extension provides frontend controllers that you can use in your templates:

Give in the form the position, the number of functional groups and it returns the right 
alkane name:
functional group: methyl
number (count): 2
position: 1,2
returns 1,2-dimethyl

Programmatic Usage

    public function __construct(
        $chainLength,
        $substituents = [],
        $isCyclo = false,
        $isAlcohol = false,
        $alcoholData = []
    ) {
        $this->chainLength = $chainLength;
        $this->substituents = $substituents;
        $this->isCyclo = $isCyclo;
        $this->isAlcohol = $isAlcohol;
        $this->alcoholData = $alcoholData;
    }

    /**
     * Returns the (simple) IUPAC name of a (non-cyclic) alkane.
     */
    public function getName()

    /** 
     * This script returns the correct IUPAC-Name not stereo structure 
    */
    

System Requirements

• TYPO3 CMS 12.0 or higher
• PHP 8.0 or higher
• Composer

Configuration

The extension can be configured via TYPO3 configuration. See documentation for more details.

Development

Project Structure

Classes/
├── Controller/
│   └── ReviewController.php
└── Service/
    ├── Alkane.php
    ├── ChemicalStructureService.php
    ├── Compound.php

Running Tests

composer test

Contributing

Contributions are welcome! Please note:

1. Fork the repository
2. Create a feature branch
3. Commit your changes
4. Create a pull request

License

This extension is licensed under the MIT License. See LICENSE for details.

Support

For questions or issues:

• Create an issue on GitHub
• Contact the author: ayhankoyun@hotmail.de

Changelog

Version 1.0.0

• Initial release
• Basic IUPAC nomenclature functionality
• Alkane support
• TYPO3 CMS 12.x integration

Roadmap

• Support for alkenes and alkynes
• Aromatic compounds
• Functional group detection
• 3D structure visualization
• API endpoints for external integrations