Package org.jmol.inchi
Class InChIJS
- java.lang.Object
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- org.jmol.inchi.InChIJS
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- 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")
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Constructor Summary
Constructors Constructor Description InChIJS()
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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)
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