Uses of Class
net.sf.jniinchi.JniInchiException
-
Uses of JniInchiException in net.sf.jniinchi
Subclasses of JniInchiException in net.sf.jniinchiMethods in net.sf.jniinchi that throw JniInchiExceptionModifier and TypeMethodDescriptionstatic INCHI_STATUS
JniInchiWrapper.checkInchi
(String inchi, boolean strict) Checks if the string represents valid InChI/standard InChI.static INCHI_KEY_STATUS
JniInchiWrapper.checkInchiKey
(String key) Checks whether a string represents valid InChIKey.protected static String
JniInchiWrapper.checkOptions
(String ops) Checks and canonicalises options.protected static String
JniInchiWrapper.checkOptions
(List<INCHI_OPTION> ops) Checks and canonicalises options.static JniInchiOutput
JniInchiWrapper.getInchi
(JniInchiInput input) Generates the InChI for a chemical structure.static JniInchiOutput
JniInchiWrapper.getInchiFromInchi
(JniInchiInputInchi input) Converts an InChI into an InChI for validation purposes (the same as the -InChI2InChI option).static JniInchiOutputKey
JniInchiWrapper.getInchiKey
(String inchi) Calculates the InChIKey for an InChI string.static JniInchiInputData
JniInchiWrapper.getInputFromAuxInfo
(String auxInfo) private static void
JniInchiWrapper.getLock()
static JniInchiOutput
JniInchiWrapper.getStdInchi
(JniInchiInput input) Calculates the Standard InChI string for a chemical structure.static JniInchiOutputStructure
JniInchiWrapper.getStructureFromInchi
(JniInchiInputInchi input) Generated 0D structure from an InChI string.Constructors in net.sf.jniinchi that throw JniInchiExceptionModifierConstructorDescriptionJniInchiInput
(String opts) Constructor.JniInchiInput
(List<INCHI_OPTION> opts) Constructor.JniInchiInput
(JniInchiStructure struct, String opts) Constructor.JniInchiInputInchi
(String inchi, String opts) Constructor.JniInchiInputInchi
(String inchi, List<INCHI_OPTION> opts) Constructor.JniInchiOutputKey
(int ret, String key) JniInchiOutputKey
(INCHI_KEY retStatus, String key)