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#1084 cdk.inchi.InChIToStructure

cdk-1.2.x
closed
nobody
javadoc (34)
5
2012-11-03
2010-07-28
No

The example provided in InChIToStructure.java shows the .getInChIToStructure method with one argument:

InChIToStructure intostruct = factory.getInChIToStructure(inchi);

whereas the method requires an additional argument IChemObjectBuilder

a corrected version would therefore look like:
InChIToStructure intostruct = factory.getInChIToStructure(inchi, DefaultChemObjectBuilder.getInstance());

Discussion

  • Egon Willighagen

    Patch has been applied.