Nothing
context("Testing aa2mass()")
test_that("Amino acid mass tests", {
## Simple test
sequ <- c("ALA", "LYS", "TPO")
masses <- c(71.078, 129.180, 181.084)
expect_that(aa2mass(sequ, addter=FALSE, mmtk=FALSE, mass.custom=NULL),
equals(masses, tolerance=1e-6))
## With Terminal atoms added
masses <- c(72.08594, 129.18000, 198.09134)
expect_that(aa2mass(sequ, addter=TRUE, mmtk=FALSE, mass.custom=NULL),
equals(masses, tolerance=1e-6))
## With 'custom' residues
sequ <- c("MLY", "HMM", "UNK")
masses <- c(156.225, 10.000, 20.001)
expect_that(aa2mass(sequ, addter=FALSE, mmtk=FALSE,
mass.custom=list(HMM=10, UNK=20.001)),
equals(masses, tolerance=1e-6))
}
)
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