Package net.sf.jniinchi
Class JniInchiInput
java.lang.Object
net.sf.jniinchi.JniInchiStructure
net.sf.jniinchi.JniInchiInput
Encapsulates structure input for InChI generation.
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Field Summary
Fields -
Constructor Summary
ConstructorsConstructorDescriptionConstructor.JniInchiInput
(String opts) Constructor.JniInchiInput
(List<INCHI_OPTION> opts) Constructor.JniInchiInput
(JniInchiStructure struct) Constructor.JniInchiInput
(JniInchiStructure struct, String opts) Constructor. -
Method Summary
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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Field Details
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options
Options string,
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Constructor Details
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JniInchiInput
public JniInchiInput()Constructor.- Throws:
JniInchiException
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JniInchiInput
Constructor.- Parameters:
opts
- Options string.- Throws:
JniInchiException
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JniInchiInput
Constructor.- Parameters:
opts
- List of options.- Throws:
JniInchiException
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JniInchiInput
Constructor.- Throws:
JniInchiException
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JniInchiInput
Constructor.- Throws:
JniInchiException
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Method Details
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getOptions
Returns options string.- Returns:
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