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update mzdata
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This leaves us with 1 test failure: in our test MGF, PEPMASS is preceded
by CHARGE. mzdata now parses the charge, but implicitly assumes there is
a PEPMASS first. When that isn't the case, there is no precursor ion to
assign the charge value to, resulting in a failure of our unit test.
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paretje committed Oct 23, 2024
1 parent 496b34f commit c288562
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions Cargo.toml
Original file line number Diff line number Diff line change
Expand Up @@ -9,11 +9,11 @@ name = "ms2rescore_rs"
crate-type = ["cdylib"]

[features]
default = ["thermorawfilereader"]
default = ["thermo"]

thermorawfilereader = ["mzdata/thermo"]
thermo = ["mzdata/thermo"]

[dependencies]
pyo3 = "0.20.0"
mzdata = "0.30.0"
mzdata = "0.33.0"
timsrust = "0.3.0"

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