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Compute TPA and protein concentration #10

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Apr 21, 2023
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import click
import pandas as pd
from pandas import DataFrame, Series
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3% of developers fix this issue

F401: 'pandas.DataFrame' imported but unused

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bin/compute_tpa.py 6
bin/compute_tpa.py 9
bin/compute_tpa.py 12

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import click
import pandas as pd
from pandas import DataFrame, Series
from pyopenms import *
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0% of developers fix this issue

F403: 'from pyopenms import *' used; unable to detect undefined names


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from pyopenms import *

from bin.compute_ibaq import print_help_msg, parse_uniprot_name
from ibaq.ibaqpy_commons import PROTEIN_NAME, NORM_INTENSITY, SAMPLE_ID, CONDITION
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E501: line too long (82 > 79 characters)

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bin/compute_tpa.py 17
bin/compute_tpa.py 18
bin/compute_tpa.py 20
bin/compute_tpa.py 21
bin/compute_tpa.py 22
bin/compute_tpa.py 24
bin/compute_tpa.py 41
bin/compute_tpa.py 61
bin/compute_tpa.py 75
bin/compute_tpa.py 83

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import numpy as np
import os

@click.command()
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2% of developers fix this issue

E302: expected 2 blank lines, found 1


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:return:
"""
if peptides is None or fasta is None:
print_help_msg(ibaq_compute)
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1% of developers fix this issue

F405: 'ibaq_compute' may be undefined, or defined from star imports: pyopenms

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bin/compute_tpa.py 53

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if name in proteins:
mw = AASequence().fromString(entry.sequence).getMonoWeight()
mw_dict[name] = mw

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W293: blank line contains whitespace


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target_histones = histone_df[histone_df["name"] == organism.lower()]
genome_size = target_histones["genome_size"].values[0]
histones_list = target_histones["histone_entries"].values[0]

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1% of developers fix this issue

W293: blank line contains whitespace


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res["TPA"] = res["NormIntensity"] / res["MolecularWeight"]
plot_distributions(res, "TPA", SAMPLE_ID, log2=True)
plot_box_plot(res, "TPA", SAMPLE_ID, log2=True,
title="TPA Distribution", violin=False)
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E127: continuation line over-indented for visual indent


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plot_distributions(res, "Concentration[nM]", SAMPLE_ID, log2=True)
plot_box_plot(res, "Concentration[nM]", SAMPLE_ID, log2=True,
title="Concentration[nM] Distribution", violin=False)
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E127: continuation line over-indented for visual indent


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# calculate protein weight(ng) and concentration(nM)
if ruler:
avogadro = 6.02214129e23
average_base_pair_mass = 617.96 # 615.8771
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E261: at least two spaces before inline comment

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bin/compute_tpa.py 85
bin/compute_tpa.py 86
bin/compute_tpa.py 93
bin/compute_tpa.py 94

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bin/compute_tpa.py Outdated Show resolved Hide resolved
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res["MolecularWeight"] = res["MolecularWeight"].replace(0, 1)
res["TPA"] = res["NormIntensity"] / res["MolecularWeight"]
plot_distributions(res, "TPA", SAMPLE_ID, log2=True)
plot_box_plot(res, "TPA", SAMPLE_ID, log2=True, title="TPA Distribution", violin=False)
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E501: line too long (91 > 79 characters)


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res = res.groupby(["Condition"]).apply(proteomicRuler)

plot_distributions(res, "Concentration[nM]", SAMPLE_ID, log2=True)
plot_box_plot(res, "Concentration[nM]", SAMPLE_ID, log2=True, title="Concentration[nM] Distribution", violin=False)
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E501: line too long (123 > 79 characters)


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histone_df = pd.read_json(open(os.path.split(__file__)[0] + os.sep + "histones.json", "rb")).T
target_histones = histone_df[histone_df["name"] == organism.lower()]
genome_size = target_histones["genome_size"].values[0]
histones_list = target_histones["histone_entries"].values[0]
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W291: trailing whitespace


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@ypriverol ypriverol self-requested a review April 21, 2023 12:53
@ypriverol ypriverol merged commit 2503371 into bigbio:master Apr 21, 2023
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