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MWB molecular structure

Source: R/mwb_structure_chart_class.R
mwb_structure.Rd

Query the Metabolomic Workbench API and retrieve a display an image of the matching molecular structure.

Usage

mwb_structure(query_column, row_index, ...)

Arguments

query_column

(character) The name of the annotation_source column with regno compound identifiers.

row_index

(integer, numeric) The row index of the annotation_source to request an image of the molecular structure of.

...

Additional slots and values passed to struct_class.

Value

A mwb_structure object. This object has no output slots. See chart_plot in the struct package to plot this chart object.

Details

This object makes use of functionality from the following packages:

  • cowplot

  • metabolomicsWorkbenchR

This object queries the Metabolomics Workbench API for matches to your query without caching the results. It is therefore intended for limited use. If you wish to obtain images for a large number of molecules you should seek an alternative solution.

Inheritance

A mwb_structure object inherits the following struct classes:

[mwb_structure] -> [chart] -> [struct_class]

References

Wilke C (2024). cowplot: Streamlined Plot Theme and Plot Annotations for 'ggplot2'. R package version 1.1.3, https://CRAN.R-project.org/package=cowplot.

Lloyd GR, Weber RJM (????). metabolomicsWorkbenchR: Metabolomics Workbench in R. R package version 1.14.1.

Examples

M <- mwb_structure(
        row_index = 1,
        query_column = "V1")