R/zinc-gene.R

In momeara/Zr: R client for http://zinc15.docking.org/

# -*- tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
# vi: set ts=2 noet:


#' @export
gene_info <- function(
	gene_names,
	output_fields=c("name", "description", "major_class_name", "sub_class_name"),
  ...
) {
	dplyr::data_frame(gene_name = gene_names) %>%
		plyr::adply(1, function(row) {
		tryCatch({
			zinc_REST(
				path = paste0("genes/", row$gene_name[1], ".csv"),
				query = list(output_fields = paste(output_fields, collapse = " ")),
				...)
		}, error = function(e) {
			print(paste0("ERROR: ", e))
			return(data.frame())
		})
	})
}

#' @export
target_info <- function(
	uniprot_entries,
	output_fields = c("name", "description", "major_class_name", "sub_class_name"),
	...
){
	dplyr::data_frame(uniprot_entry = uniprot_entries) %>%
		plyr::adply(1, function(row) {
  		zinc_REST(
  			path = paste0("genes/", row$uniprot_entry[1], ".csv"),
  			query = list(output_fields = paste(output_fields, collapse = " ")),
  			...)
  	})
}