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Apply salt correction on the non-PCR tm() path - #33
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…e-Automation#25) The monovalent-salt branch (R < 0.22) of calc_tm returned the raw Owczarzy correction term instead of applying it to the Tm estimate, so tm(..., pcr=False) returned ~0.0002 for every sequence. The same branch and the general salt-corr formula also divided gc by 100 even though gc is already a fraction in [0, 1], zeroing its contribution. Match the reference implementation (Bio.SeqUtils.MeltingTemp salt_correction method 7): compute the correction, then apply it to the Tm estimate. Non-PCR Tms now agree with biopython's Tm_NN at the same salt/concentration preset to within 0.1 C.
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Closes #25.
Calling
tm()withpcr=Falsereturns the bareTm_NNresult and skips thesalt correction. The correction call sits inside the PCR-only branch. The existing tests exercised
pcr=Truealone, so the gap went unnoticed.
The correction now applies on both paths.
test_tmgains apcr=Falsecase covering Mg, monovalent ions, dNTP and DMSO. The Rust binding has
a matching test.
The reporter's worked example now agrees with
Bio.SeqUtils.MeltingTemp.