InChIKey_test: Test whether InChIKey follows valid format
In schymane/RChemMass: Various Cheminformatic, Curation and Mass Spectrometry Functions
Description
Usage
Arguments
Value
Author(s)
See Also
Examples
View source: R/ChemicalCuration.R
Description
This basic function using string manipulation to test whether an InChIKey
is in the expected format. Useful to detect conversions and retrieval results.
This function checks if the string contains 27 characters and 2 dashes/3 blocks.
Usage
1
InChIKey_test(InChIKey)
Arguments
InChIKey
InChIKey to test.
Value
Returns TRUE or FALSE (fails test).
Author(s)
Emma Schymanski <emma.schymanski@uni.lu>
See Also
Examples
1
2
3
4
5
CactusKey <- getCactus("benzene","stdinchikey")
InChIKey_test(CactusKey)
CactusKey <- trimKey(CactusKey)
InChIKey_test(CactusKey)
InChIKey_test("UHOVQNZJYSORNB-UHFFFAOYSA-N")
schymane/RChemMass documentation built on Jan. 25, 2021, 5:45 a.m.
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Description Usage Arguments Value Author(s) See Also Examples
View source: R/ChemicalCuration.R
Description
This basic function using string manipulation to test whether an InChIKey is in the expected format. Useful to detect conversions and retrieval results. This function checks if the string contains 27 characters and 2 dashes/3 blocks.
Usage
1 | InChIKey_test(InChIKey)
|
Arguments
InChIKey |
InChIKey to test. |
Value
Returns TRUE or FALSE (fails test).
Author(s)
Emma Schymanski <emma.schymanski@uni.lu>
See Also
Examples
1 2 3 4 5 | CactusKey <- getCactus("benzene","stdinchikey")
InChIKey_test(CactusKey)
CactusKey <- trimKey(CactusKey)
InChIKey_test(CactusKey)
InChIKey_test("UHOVQNZJYSORNB-UHFFFAOYSA-N")
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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