Quimify Organic

Overview

Quimify Organic is a high-school level organic nomenclature module that provides name-to-structure and structure-to-name conversion tools, currently supporting Spanish. It is used in Quimify.

Usage Examples

Name-to-structure conversion

Build it:

String name = "ácido 2-metilpropanoico";
Optional<Organic> organic = OrganicFactory.getFromName(name);

Result:

organic.get().getStructure(); // "CH3-CH(CH3)-COOH"
organic.get().getSmiles(); // "CC(C(=O)O)C"

Structure-to-name conversion

Build it:

OpenChain openChain = new Simple(); // C

openChain = openChain.bond(Group.hydrogen); // CH≡

Substituent methyl = Substituent.radical(1); // CH3
openChain = openChain.bond(methyl); // CH(CH3)=
openChain = openChain.bond(methyl); // CH(CH3)2-
        
openChain.bondCarbon(); // CH(CH3)2-C≡
        
openChain = openChain.bond(Group.acid); // CH(CH3)2-COOH 

Result:

if(openChain.isDone()) {
    openChain.correct(); // CH3-CH(CH3)-COOH
    openChain.getStructure(); // "CH3-CH(CH3)-COOH"
    openChain.getName(); // "ácido 2-metilpropanoico"
}

How it works

Usage

Clone the repository and run NameToStructure, StructureToName or RandomStructureToName using Java 11.

Installation

To use Quimify Organic in your project, you can generate a JAR file with dependencies by running the Gradle task shadowJar with the command gradle shadowjar. The JAR file will be located at build/libs.

Alternatively, download the latest release available.

Dependencies

Quimify Organic uses the quimify-opsin-es module from quimifyapp/opsin.

License?

Do whatever you want with this code.

However, please be aware that our code relies on open-source dependencies, each with their own licenses and usage terms. Non-compliance with their licenses could have legal consequences.