Tutorial of Kekule.js

Contents:

• Installation
  • Using NPM
  • The Traditional Way
  • Dynamic module loading
  • Child modules and function of Kekule.js
• Object and Class System of Kekule.js
  • Defining New Class
  • Create Instance of Class
  • Serialize/deserialize of Object
• Atom and Bond
  • Working with Atom
  • Working with Bond
• Creating Molecule
  • Creating Molecule with Atoms and Bonds
  • Multicenter Bonds
  • Bond-bond Connection
• Loading and Saving Molecule
  • Saving Molecule
  • Loading Molecule
    • Loading from String Variable
    • Loading from File
    • Loading from Resource
• Get Molecule Information
  • Iterating over Atoms and Bonds
  • Molecule Formula
  • Ring Information
  • Aromatic Detection
  • Stereo Perception
• Molecule Comparison and Searching
  • Comparing Molecules
  • Substructure Searching
• Drawing Molecule
  • Background Introduction
  • Drawing by Renderer
  • Drawing by Painter
• Introduction to Widget
  • Common Widgets
  • Chem Widgets
• Chem Viewer Widget
  • Creating Viewer
  • Setting and Retrieving Object in Viewer
  • Changing Display Type of Viewer
  • Changing Zoom Level and Rotation of Object
  • Changing the Default Render Color
  • Customizing Toolbar
  • Presets
• Composer Widget
  • Composer UI
  • Creating Composer
  • Loading and Retrieving Molecules in Composer
  • Get Selected Objects
  • Operation History
  • Limiting the Functions of Composer
  • Customize UI of Composer
  • Presets
  • More Configurations
• Spectra in Kekule.js
  • I/O of Spectra Data
  • Access Data inside Spectrum
    • Meta Data
    • Spectrum Data
    • Molecule Correlation
  • Displaying Spectrum
• Web Component Wrapper of Widgets

Indices and tables