static INCHI_STATUS |
JniInchiWrapper.checkInchi(java.lang.String inchi,
boolean strict) |
Checks if the string represents valid InChI/standard InChI.
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static INCHI_KEY_STATUS |
JniInchiWrapper.checkInchiKey(java.lang.String key) |
Checks whether a string represents valid InChIKey.
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protected static java.lang.String |
JniInchiWrapper.checkOptions(java.lang.String ops) |
Checks and canonicalises options.
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protected static java.lang.String |
JniInchiWrapper.checkOptions(java.util.List<INCHI_OPTION> ops) |
Checks and canonicalises options.
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static JniInchiOutput |
JniInchiWrapper.getInchi(JniInchiInput input) |
Generates the InChI for a chemical structure.
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static JniInchiOutput |
JniInchiWrapper.getInchiFromInchi(JniInchiInputInchi input) |
Converts an InChI into an InChI for validation purposes (the same as the -InChI2InChI option).
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static JniInchiOutputKey |
JniInchiWrapper.getInchiKey(java.lang.String inchi) |
Calculates the InChIKey for an InChI string.
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static JniInchiInputData |
JniInchiWrapper.getInputFromAuxInfo(java.lang.String auxInfo) |
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private static void |
JniInchiWrapper.getLock() |
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static JniInchiOutput |
JniInchiWrapper.getStdInchi(JniInchiInput input) |
Calculates the Standard InChI string for a chemical structure.
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static JniInchiOutputStructure |
JniInchiWrapper.getStructureFromInchi(JniInchiInputInchi input) |
Generated 0D structure from an InChI string.
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