test_that("chem props returns correctly formatted output for metabolites of interest, ChemicalProperties", {
mets = c('hmdb:HMDB0000056',
'hmdb:HMDB0000439'
)
chemProps <- getChemicalProperties(db = rampDB, mets=mets,propertyList = c('iso_smiles'))
cn <- c('chem_source_id', 'iso_smiles')
data <-
c(
'hmdb:HMDB0000056',
'NCCC(O)=O',
'hmdb:HMDB0000439',
'OC(=O)CNC(=O)C1=CC=CO1'
)
df <- data.frame(matrix(
data = data,
ncol = 2,
byrow = TRUE
))
colnames(df) <- cn
result <- chemProps$chem_props
result <- result[, -2]
#df <- df[, -2]
df <- as.data.frame(df)
result <- as.data.frame(result)
print(result)
print(df)
#df <- df[order(df$chem_source_id), ]
df <- df[order(as.vector(df$chem_source_id)), ]
result <- df[order(df$chem_source_id),]
#print(df)
print(table(result == df))
res <- all.equal(result, df)
#print(res)
expect_equal(res, TRUE)
})
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