tests/testthat/test-getChemicalProperties.R

In ncats/RaMP-DB: RaMP (Relational Database of Metabolomic Pathways)

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)
})