0.2.2 • Published 8 months ago

chemlib v0.2.2

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-
License
MIT
Repository
-
Last release
8 months ago

Chemlib

Chemlib is a TypeScript library for simulating chemical processes. The software offers no visual frontend but instead should be used as a backend for other web applications.

Installation

  1. Copy this repository using git clone
  2. link the project using either npm link or npm install </path to Chemlib>

Dependencies

Chemlib utilizes the open source toolbox kekule.js, which should already be bundled with Chemlib.

Usage

Import

Simply import all components from Chemlib into another project using the common commands:

import * as chemlib from 'chemlib'

or just use individual components like so:

import {ElementData, Atom} from 'chemlib'

Components

Chemlib consists of multiple Classes, most of which need to work together to function properly. A list of all Classes with a short description can be found below.

namedescription
ElementDataA collection of data for each chemical element
AtomRepresentation of an atom
BondRepresentation of an atomic bond
MoleculeRepresentation of a molecule
MixtureA Representation of a mixture of one or more instances of Molecule
StructureManagerAbstract static management class for Mixture} and Molecule objects
ChemComponentRepresentation of a chemical lab component such as beakers and flasks
ComponentTypeAn enum for the specific component types, used for identification
ElectricComponentRepresentation of an electric component
EComponentTypeAn enum for the specific electric component types, used for identification
ComponentManagerAbstract static managing class for all components
SimulationA static abstract class used to access all chemical simulations
0.2.2

8 months ago

0.2.1

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0.2.0

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