gavo.protocols.linetap module¶
Support code for linetap.
This, in particular, contains bindings to the InChI library. Use getILib() to obtain the bindings, and see the _InChIBindings docstrings on what you can all. It probably helps to be aware of https://www.inchi-trust.org/wp/download/104/InChI_API_Reference.pdf although the binding is substantially different.
This binding probably leaks memory left and right; I have not given this a great deal of thought so far, as I don’t expect InChI manipulations will be common in long-running code. If that’s overly optimistic, then we’ll need a round of leak hunting.
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exception
gavo.protocols.linetap.
InChIError
(msg='', hint=None)[source]¶ Bases:
gavo.utils.excs.Error
is raised when a libinchi function indicates an error has occurred.
This is usually rather cryptic but ought to return a numeric code that can be decoded using the libinchi API document.