Table 1.
Various java methods from the JniInChIWrapper class
| JniInChIWrapper | |
|---|---|
| loadLibrary() |
Loads the InChI library suitable for theplatform. |
| getInchi(JniInchiInput) |
Generates an InChI for the given inputstructure, with the InChI options passedwith the input. |
| getStdInchi(JniInchiInput) |
Generates a Standard InChI for the giveninput structure. |
| getStructureFromInchi(JniInchiInputInchi) |
Generates a structure from an InChI string(without coordinates). |
| getInchiKey(String) |
Converts an InChI into an InChIKey. |
| checkInchi(String, boolean) |
Check the validity of a (non-standard) InChIeither loosely or strict. |
| checkInchiKey(String, boolean) |
Check the validity of a (non-standard)InChIKey either loosely or strict. |
|
JniInchiInput |
|
| JniInchiInput(List) |
Constructor allowing you to set the InChIgeneration options as a List of Strings. |
| addAtom(JniInchiAtom) |
Adds an atom to the input structure. |
| addBond(JniInchiBond( |
Adds a bond to the input structure. |
| addStereo0D(JniInchiStereo0D) | Adds a tetrahedral, bond, or allenestereochemistry element to the inputstructure. |