Package org.jmol.api

Interface JmolInChI

All Known Implementing Classes:
InchiJmol, InChIJNA, InChIJS
public interface JmolInChI

  • Method Summary

    Modifier and Type
    Method
    Description
    String
    getInchi(Viewer vwr, BS atoms, Object molData, String options)
     

  • Method Details

    • getInchi

      String getInchi(Viewer vwr, BS atoms, Object molData, String options)
      Parameters:
      vwr -
      atoms -
      molData - can be String or InputStream
      options -
      Returns:
      InChI or SMILES or InChIKey or internal InChI structure details