Package net.sf.jniinchi
Class JniInchiInput
- java.lang.Object
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- net.sf.jniinchi.JniInchiStructure
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- net.sf.jniinchi.JniInchiInput
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public class JniInchiInput extends JniInchiStructure
Encapsulates structure input for InChI generation.
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Field Summary
Fields Modifier and Type Field Description protected java.lang.String
options
Options string,
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Constructor Summary
Constructors Constructor Description JniInchiInput()
Constructor.JniInchiInput(java.lang.String opts)
Constructor.JniInchiInput(java.util.List<INCHI_OPTION> opts)
Constructor.JniInchiInput(JniInchiStructure struct)
Constructor.JniInchiInput(JniInchiStructure struct, java.lang.String opts)
Constructor.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.lang.String
getOptions()
Returns options string.-
Methods inherited from class net.sf.jniinchi.JniInchiStructure
addAtom, addAtoms, addBond, addBonds, addStereo0D, getAtom, getAtomIndex, getBond, getNumAtoms, getNumBonds, getNumStereo0D, getStereo0D, getStereo0DIndex, setStructure
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Constructor Detail
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JniInchiInput
public JniInchiInput()
Constructor.- Throws:
JniInchiException
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JniInchiInput
public JniInchiInput(java.lang.String opts) throws JniInchiException
Constructor.- Parameters:
opts
- Options string.- Throws:
JniInchiException
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JniInchiInput
public JniInchiInput(java.util.List<INCHI_OPTION> opts) throws JniInchiException
Constructor.- Parameters:
opts
- List of options.- Throws:
JniInchiException
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JniInchiInput
public JniInchiInput(JniInchiStructure struct)
Constructor.- Throws:
JniInchiException
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JniInchiInput
public JniInchiInput(JniInchiStructure struct, java.lang.String opts) throws JniInchiException
Constructor.- Throws:
JniInchiException
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