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pyms_lc_esi/adducts.py

+3-3
Original file line numberDiff line numberDiff line change
@@ -33,7 +33,7 @@
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import attr
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from chemistry_tools.elements import ELEMENTS
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from chemistry_tools.formulae import Formula
36-
from pyms.Spectrum import MassSpectrum # type: ignore[import]
36+
from pyms.Spectrum import MassSpectrum
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# this package
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from pyms_lc_esi.spectra import iso_dist_2_mass_spec
@@ -59,7 +59,7 @@ def _formula_converter(formula: Union[Dict[str, int], Formula, str]) -> Formula:
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raise TypeError(f"Unsupported type for formula: {type(formula)}")
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6161

62-
def _operation_validator(instance, attribute, value: Literal["add", "sub"]) -> Literal["add", "sub"]:
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def _operation_validator(instance: "Adduct", attribute: attr.Attribute, value: Literal["add", "sub"]) -> Literal["add", "sub"]:
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if not isinstance(value, str):
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raise TypeError(f"operation must be a string, not {type(value)}")
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@@ -111,7 +111,7 @@ def __call__(self, formula: Formula) -> Formula:
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def __format__(self, format_spec: str) -> str:
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return self.name % format_spec
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114-
def __mod__(self, other) -> str:
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def __mod__(self, other: str) -> str:
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return self.name % other
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pyms_lc_esi/peak_finder.py

+6-6
Original file line numberDiff line numberDiff line change
@@ -33,11 +33,11 @@
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# 3rd party
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from chemistry_tools.formulae import Formula
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from domdf_python_tools.words import word_join
36-
from pyms.BillerBiemann import get_maxima_indices, num_ions_threshold # type: ignore[import]
37-
from pyms.eic import ExtractedIntensityMatrix, build_extracted_intensity_matrix # type: ignore[import]
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from pyms.IntensityMatrix import IntensityMatrix # type: ignore[import]
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from pyms.Noise.Analysis import window_analyzer # type: ignore[import]
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from pyms.Peak import Peak # type: ignore[import]
36+
from pyms.BillerBiemann import get_maxima_indices, num_ions_threshold
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from pyms.eic import ExtractedIntensityMatrix, build_extracted_intensity_matrix
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from pyms.IntensityMatrix import IntensityMatrix
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from pyms.Noise.Analysis import window_analyzer
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from pyms.Peak import Peak
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# this package
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from pyms_lc_esi.adducts import Adduct, get_adduct_spectra
@@ -185,7 +185,7 @@ def peak_finder(e_im: ExtractedIntensityMatrix, points: int = 3) -> Iterator[Pea
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peak.area, left_bound, right_bound = sum_area(apex_index, e_im)
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# Assign bounds to peak as offsets.
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peak.bounds = [apex_index - left_bound, apex_index, right_bound - apex_index]
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peak.bounds = (apex_index - left_bound, apex_index, right_bound - apex_index)
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if (right_bound - left_bound) > 3 and peak.area > 1000:
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# TODO: make 1000 dependent on data

pyms_lc_esi/spectra.py

+1-1
Original file line numberDiff line numberDiff line change
@@ -39,7 +39,7 @@
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# from pyms import Peak
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# from pyms.IntensityMatrix import BaseIntensityMatrix
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# from pyms.Spectrum import CompositeMassSpectrum, MassSpectrum, normalize_mass_spec
42-
from pyms.Spectrum import MassSpectrum # type: ignore[import]
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from pyms.Spectrum import MassSpectrum
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__all__ = ["iso_dist_2_mass_spec"]
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