# compounds <- get_compounds(identifier = c("2244", "1234"), # namespace = "cid") # testRequest(compounds) # # test_that("pulling compounds via an unknown 'namespace'", { # tmp <- get_compounds(identifier = c("2244", "1234"), # namespace = "taxonomy") # expect_false(allSuccess(tmp)) # }) # # test_that("get_compounds() returns an object of class 'PubChemInstanceList'", # { # expect_true("PubChemInstanceList" %in% class(compounds)) # }) # # # test for 'namespace' arg. ---- # tmp <- get_compounds(identifier = "aspirin", # namespace = "name") # testRequest(tmp) # # tmp <- get_compounds(identifier = "CC(=O)OC1=CC=CC=C1C(=O)O", # namespace = "smiles") # testRequest(tmp) # # test_that("handling undefined/unknown/incorrect compounds. returns error.", # { # tmp <- get_compounds(identifier = -1, # namespace = "cid") # # expect_false(tmp$result[[1]]$success) # expect_true(!is.null(tmp$result[[1]]$error)) # }) # # # instance() tests. ---- # test_that("instance() returns an object of class 'PubChemInstance'", { # expect_true("PubChemInstance" %in% class(instance(compounds))) # expect_output(print(instance(compounds)), "An object of class 'PubChemInstance'") # }) # # # retrieve() tests ---- # test_that("retrieve() returns selected slots as expected for a compound", { # expect_identical( # retrieve( # compounds, # .slot = "id", # .which = "2244", # .to.data.frame = TRUE # ), # retrieve( # instance(compounds, "2244"), # .slot = "id", # .to.data.frame = TRUE # ) # ) # # expect_identical( # retrieve( # compounds, # .slot = "id", # .which = "2244", # .to.data.frame = FALSE # ), # retrieve( # instance(compounds, "2244"), # .slot = "id", # .to.data.frame = FALSE # ) # ) # # # Return results invisibly when .verbose = TRUE # expect_invisible( # retrieve( # compounds, # .slot = "id", # .to.data.frame = FALSE, # .combine.all = TRUE, # .verbose = TRUE # ) # ) # # # Combine all compounds into a data.frame # expect_true({ # tmp <- # retrieve( # compounds, # .slot = "atoms", # .to.data.frame = TRUE, # .combine.all = TRUE, # .verbose = FALSE # ) # all(request_args(compounds, "identifier") %in% tmp[["Identifier"]]) # }) # }) # # test_that("retrieve() returns error when unknown/undefined slots or identifiers are provided.", # { # expect_error(retrieve(compounds, .which = "dncr")) # expect_warning(retrieve(compounds, .which = "1234")) # expect_true({ # tmp <- suppressWarnings(retrieve(compounds, .which = "1234")) # is.null(tmp) # }) # # expect_null(retrieve(compounds, .which = "1234", .slot = "unkown_slot")) # }) # # test_that("checking the effect of '.verbose' argument in retrieve() function", # { # expect_invisible(retrieve( # compounds, # .slot = "id", # .verbose = TRUE, # .combine.all = TRUE # )) # })