Skip to content

Commit

Permalink
Fix python bindings
Browse files Browse the repository at this point in the history
  • Loading branch information
jcharkow committed Aug 30, 2023
1 parent 9d1a8b0 commit 1801275
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions src/pyOpenMS/pxds/DIAScoring.pxd
Original file line number Diff line number Diff line change
Expand Up @@ -20,16 +20,16 @@ cdef extern from "<OpenMS/ANALYSIS/OPENSWATH/DIAScoring.h>" namespace "OpenMS":
DIAScoring(DIAScoring) except + nogil # wrap-ignore

bool dia_ms1_massdiff_score(double precursor_mz, libcpp_vector[shared_ptr[OSSpectrum] ] spectrum,
RangeMobility& im_range, double& ppm_score) except nogil +
RangeMobility& im_range, double& ppm_score) except + nogil

void dia_ms1_isotope_scores_averagine(double precursor_mz, libcpp_vector[shared_ptr[OSSpectrum] ] spectrum, int charge_state, RangeMobility& im_range,
double& isotope_corr, double& isotope_overlap) except nogil +
double& isotope_corr, double& isotope_overlap) except + nogil

void dia_ms1_isotope_scores(double precursor_mz, libcpp_vector[shared_ptr[OSSpectrum] ] spectrum, RangeMobility& im_range,
double& isotope_corr, double& isotope_overlap, EmpiricalFormula& sum_formula) except nogil +
double& isotope_corr, double& isotope_overlap, EmpiricalFormula& sum_formula) except + nogil
# TODO automatically wrap
void dia_by_ion_score( libcpp_vector[shared_ptr[OSSpectrum] ] spectrum, AASequence sequence, int charge, RangeMobility& im_range, double & bseries_score, double & yseries_score) except nogil + # wrap-return:return(bseries_score,yseries_score) wrap-ignore
void dia_by_ion_score( libcpp_vector[shared_ptr[OSSpectrum] ] spectrum, AASequence sequence, int charge, RangeMobility& im_range, double & bseries_score, double & yseries_score) except + nogil # wrap-return:return(bseries_score,yseries_score) wrap-ignore

# Dotproduct / Manhatten score with theoretical spectrum
void score_with_isotopes( libcpp_vector[shared_ptr[OSSpectrum] ] spectrum, libcpp_vector[LightTransition] transitions, RangeMobility& im_range,
double& dotprod, double& manhattan) except nogil +
double& dotprod, double& manhattan) except + nogil

0 comments on commit 1801275

Please sign in to comment.