net.sf.jniinchi
Class JniInchiInput

java.lang.Object
  net.sf.jniinchi.JniInchiStructure
      net.sf.jniinchi.JniInchiInput

public class JniInchiInput
extends JniInchiStructure

Encapsulates structure input for InChI generation.

Author:

Sam Adams

Field Summary

protected String

options Options string,

Constructor Summary

JniInchiInput()
Constructor.

JniInchiInput(JniInchiStructure struct)
Constructor.

JniInchiInput(JniInchiStructure struct, String opts)
Constructor.

JniInchiInput(List opts)
Constructor.

JniInchiInput(String opts)
Constructor.

Method Summary

String

getOptions() Returns options string.

Methods inherited from class net.sf.jniinchi.JniInchiStructure

addAtom, addAtoms, addBond, addBonds, addStereo0D, getAtom, getBond, getNumAtoms, getNumBonds, getNumStereo0D, getStereo0D, setStructure

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

options

protected String options

Options string,

Constructor Detail

JniInchiInput

public JniInchiInput()

Constructor.

Throws:

JniInchiException

JniInchiInput

public JniInchiInput(String opts)
              throws JniInchiException

Constructor.

Parameters:

opts - Options string.

Throws:

JniInchiException

JniInchiInput

public JniInchiInput(List opts)
              throws JniInchiException

Constructor.

Parameters:

opts - List of options.

Throws:

JniInchiException

JniInchiInput

public JniInchiInput(JniInchiStructure struct)

Constructor.

Throws:

JniInchiException

JniInchiInput

public JniInchiInput(JniInchiStructure struct,
                     String opts)
              throws JniInchiException

Constructor.

Throws:

JniInchiException

Method Detail

getOptions

public String getOptions()

Returns options string.

Returns: