InchiJmol (Jmol 16.3.55 API)

java.lang.Object

org.jmol.inchi.InchiJmol

All Implemented Interfaces:: InChIStructureProvider, JmolInChI

Direct Known Subclasses:: InChIJNA, InChIJS

public abstract class InchiJmol extends Object implements JmolInChI, InChIStructureProvider

Field Summary

Fields

Modifier and Type

Field

Description

protected boolean

doGetSmiles

protected boolean

getInchiModel

protected boolean

getKey

protected String

inchi

protected boolean

inputInChI

protected boolean

optionalFixedH

protected String

smilesOptions
Constructor Summary

Constructors

Constructor

Description

InchiJmol()
Method Summary

Modifier and Type

Method

Description

protected String

getSmiles(Viewer vwr, String smilesOptions)

protected String

setParameters(String options, Object molData, BS atoms, Viewer vwr)

Methods inherited from class Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface InChIStructureProvider
getCenterAtom, getCharge, getElementType, getImplicitH, getInchiBondType, getIndexOriginAtom, getIndexTargetAtom, getIsotopicMass, getNeighbors, getNumAtoms, getNumBonds, getNumStereo0D, getParity, getStereoType, getX, getY, getZ, initializeModelForSmiles, setAtom, setBond, setStereo0D

Methods inherited from interface JmolInChI
getInchi

Field Details
- inputInChI
  
  protected boolean inputInChI
- inchi
  
  protected String inchi
- smilesOptions
  
  protected String smilesOptions
- doGetSmiles
  
  protected boolean doGetSmiles
- getInchiModel
  
  protected boolean getInchiModel
- getKey
  
  protected boolean getKey
- optionalFixedH
  
  protected boolean optionalFixedH
Constructor Details
- InchiJmol
  
  public InchiJmol()
Method Details
- setParameters
  
  protected String setParameters(String options, Object molData, BS atoms, Viewer vwr)
- getSmiles
  
  protected String getSmiles(Viewer vwr, String smilesOptions)