Class InChIJS

  • All Implemented Interfaces:
    JmolInChI

    public class InChIJS
    extends java.lang.Object
    implements JmolInChI
    This class adapts Richard Apodaca's 2020 molfile-to-inchi LLVM-derived Web Assembly implementation of IUPAC InChI v. 1.05. see https://depth-first.com/articles/2020/03/02/compiling-inchi-to-webassembly-part-2-from-molfile-to-inchi/ Note that this initialiation is asynchronous. One has to either use sync inchi or invoke a call to generate an InChI, such as: x = {none}.find("inchi")
    • Constructor Summary

      Constructors 
      Constructor Description
      InChIJS()  
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      java.lang.String getInchi​(Viewer vwr, javajs.util.BS atoms, java.lang.String molData, java.lang.String options)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • InChIJS

        public InChIJS()
    • Method Detail

      • getInchi

        public java.lang.String getInchi​(Viewer vwr,
                                         javajs.util.BS atoms,
                                         java.lang.String molData,
                                         java.lang.String options)
        Specified by:
        getInchi in interface JmolInChI