From b9011ed25e3de307bdbca326c1b72e629cb58317 Mon Sep 17 00:00:00 2001
From: Marie Anselmet <marie.anselmet@pasteur.fr>
Date: Fri, 20 Oct 2023 11:26:02 +0200
Subject: [PATCH] Add little docu to new fonctions
---
build/lib/libcodonusage/__init__.py | 45 +
build/lib/libcodonusage/libcodonusage.py | 1797 ++++++++++++++++++++++
libcodonusage/libcodonusage.py | 18 +-
3 files changed, 1856 insertions(+), 4 deletions(-)
create mode 100644 build/lib/libcodonusage/__init__.py
create mode 100644 build/lib/libcodonusage/libcodonusage.py
diff --git a/build/lib/libcodonusage/__init__.py b/build/lib/libcodonusage/__init__.py
new file mode 100644
index 0000000..45862d8
--- /dev/null
+++ b/build/lib/libcodonusage/__init__.py
@@ -0,0 +1,45 @@
+__copyright__ = "Copyright (C) 2022-2023 Blaise Li"
+__licence__ = "GNU GPLv3"
+__version__ = "0.28.1"
+from .libcodonusage import (
+ aa2colour,
+ aa_usage,
+ by_aa_codon_usage,
+ centroid_usage,
+ codon2aa,
+ codon_usage_pca,
+ columns_by_aa,
+ compare_clusterings,
+ compute_rscu,
+ detect_fishy_genes,
+ exclude_all_nan_cols,
+ extract_top_genes_from_cluster,
+ filter_on_idx_levels,
+ find_most_biased_genes,
+ find_valley,
+ format_codon_labels,
+ gene_wide_codon_usage,
+ group_codons_by_sum,
+ load_bias_table,
+ load_counts_table,
+ load_table_with_info_index,
+ make_aa_codon_columns,
+ make_cluster_table,
+ make_centroids_cluster_finder,
+ make_counts_only,
+ plot_codon_usage_for_gene_list,
+ remove_codons,
+ render_md,
+ save_counts_table,
+ sort_counts_by_aa,
+ split_info_index,
+ star2stop,
+ sum_codon_counts,
+ to_long_form,
+ violin_usage,
+ violin_usage_vertical,
+ violin_usage_by_clusters,
+ violin_usage_by_clusters_splitby,
+ violin_with_thresh,
+ write_cluster_lists,
+ )
diff --git a/build/lib/libcodonusage/libcodonusage.py b/build/lib/libcodonusage/libcodonusage.py
new file mode 100644
index 0000000..603a8bd
--- /dev/null
+++ b/build/lib/libcodonusage/libcodonusage.py
@@ -0,0 +1,1797 @@
+#!/usr/bin/env python3
+# Copyright (C) 2021-2023 Blaise Li
+#
+# This program is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program. If not, see <https://www.gnu.org/licenses/>.
+"""Functions used in Jupyter notebooks."""
+from http.cookies import Morsel
+from itertools import combinations
+import json
+from operator import attrgetter, itemgetter
+from pathlib import Path
+from unittest import mock
+# python3 -m pip install cytoolz
+from cytoolz import concat, groupby, unique, valmap
+# To render mardown in a Jupyter notebook on gitlab
+from IPython.display import display
+from IPython.core.display import HTML
+# python3 -m pip install markdown
+from markdown import markdown
+# Basic plotting library for Python
+# python3 -m pip install matplotlib
+# See https://matplotlib.org/
+import matplotlib.pyplot as plt
+# Python library to make some nicer plots
+# python3 -m pip install seaborn
+# See https://seaborn.pydata.org/
+import seaborn as sns
+# Useful Python package for bioinformatics.
+# python3 -m pip install biotite
+# See https://www.biotite-python.org/install.html
+import biotite.sequence.graphics as bgraphs
+from biotite.sequence import CodonTable, NucleotideSequence
+# python3 -m pip install numpy
+import numpy as np
+# Python module to handle tabular data
+# python3 -m pip install pandas
+# See https://pandas.pydata.org/pandas-docs/stable/index.html
+import pandas as pd
+# Python module that facilitates the exploration of tbular data
+# python3 -m pip install plydata
+# from plydata import define, pull, query
+# python3 -m pip install scipy
+from scipy.linalg import LinAlgError
+from scipy.spatial.distance import sqeuclidean as sqdist
+from scipy.stats import gaussian_kde
+# Python library with useful data-processing features
+# python3 -m pip install scikit-learn
+# https://scikit-learn.org/stable/install.html
+from sklearn.decomposition import PCA
+from sklearn.preprocessing import normalize
+# Python module to vizualize set intersections
+# python3 -m pip install upsetplot
+from upsetplot import from_indicators, UpSet
+
+
+fmt_metadata = {
+ "png": {"creationDate": None},
+ "svg": {
+ "Creator": None, "Date": None,
+ "Title": ("Distribution of standardized codon usages biases"
+ " (by aa), by chromosome")}
+}
+
+
+def render_md(md_str):
+ """
+ Render a markdown string *md_str* in a Jupyter notebook.
+
+ More direct rendering is not possible on gitlab for security reasons.
+ """
+ display(HTML(markdown(md_str)))
+
+
+codon2aa = CodonTable.load(11).codon_dict()
+# Column headers made from (aa, codon) pairs
+codon_headers = pd.MultiIndex.from_tuples(
+ ((aa, codon) for (codon, aa) in codon2aa.items()),
+ names=("aa", "codon"))
+# Groups of column headers for each amino-acid
+# key: aa, value: list of (aa, codon) pairs
+columns_by_aa = groupby(itemgetter(0), codon_headers)
+
+
+######################################
+# Associating colours to amino-acids #
+######################################
+# We load amino-acid colouring information to use in graphical representations.
+# We'll use colour schemes provided by the biotite package:
+# https://www.biotite-python.org/examples/gallery/sequence/color_schemes_protein.html
+# We look directly at the json file
+# instead of using the "native" biotite mechanisms
+with Path(bgraphs.colorschemes._scheme_dir).joinpath(
+ "jalview_zappo.json").open() as fh:
+ colscheme = json.load(fh)
+# We add the black colour for the stop "amino-acid" and associated codons
+# key: amino-acid
+# value: hexadecimal html colour code
+aa2colour = {**colscheme["colors"], "*": '#000000'}
+######################################
+# Associating colours to nucleotides #
+######################################
+nuc_alphabet = NucleotideSequence.alphabet_unamb
+nuc_colours = bgraphs.get_color_scheme("rainbow", nuc_alphabet)
+nuc2colour = dict(zip(nuc_alphabet, nuc_colours))
+
+
+def load_counts_table(
+ table_path, index_col="old_locus_tag", index_unique=True):
+ """
+ Load a table of pre-computed codon counts at *table_path*.
+
+ The lines correspond to genes.
+ Besides the columns containing the counts for each codon,
+ there are other columns containing various pieces of information
+ regarding those genes.
+
+ If *index_unique* is True, a ValueError error will be raised if
+ some elements in the the column *index_col* are not unique.
+ """
+ render_md(f"Loading data from [{table_path}]({table_path})...\n")
+ codon_counts = pd.read_table(table_path, index_col=index_col)
+ if index_unique and not codon_counts.index.is_unique:
+ raise ValueError(f"Index {index_col} contains repeated values.\n")
+ nb_genes = len(codon_counts)
+ render_md(
+ f"""
+ There are {nb_genes} genes in the table.
+
+ The table looks as follows (first 3 lines):
+""")
+ display(codon_counts.head(3))
+ return codon_counts
+
+
+def compute_criteria(codon_counts):
+ """
+ Prepare a Boolean table and corresponging gene sets.
+
+ There are one column and one gene set for each criterion.
+ """
+ wrong_start_col = codon_counts["expected_start_aa"] == "-"
+ start_stop_col = codon_counts["expected_start_aa"] == "*"
+ no_met_start_col = codon_counts["expected_start_aa"] != "M"
+ start_upstream_col = codon_counts["start_upstream"]
+ has_stops_col = codon_counts["nb_stops"] > 0
+ start_upstream_met_start_col = start_upstream_col & ~no_met_start_col
+ start_upstream_met_start_nostops_col = (
+ start_upstream_met_start_col & ~has_stops_col)
+ good_met_start_col = ~start_upstream_col & ~no_met_start_col
+ has_stops_good_met_start_col = (
+ has_stops_col & ~no_met_start_col
+ & ~start_upstream_met_start_col)
+ no_stop_good_met_start_col = (
+ ~has_stops_col & ~no_met_start_col
+ & ~start_upstream_met_start_col)
+ criteria = pd.DataFrame({
+ "wrong_start": wrong_start_col,
+ "start_stop": start_stop_col,
+ "no_met_start": no_met_start_col,
+ "start_upstream": start_upstream_col,
+ "has_stops": has_stops_col,
+ "start_upstream_met_start": start_upstream_met_start_col,
+ "start_upstream_met_start_nostops": (
+ start_upstream_met_start_nostops_col),
+ "good_met_start": good_met_start_col,
+ "has_stops_good_met_start": has_stops_good_met_start_col})
+ render_md("Number of genes fitting various selection criteria:\n\n")
+ display(criteria.agg(sum))
+ render_md("Upset plot of the non-empty categories:\n\n")
+ fig = plt.figure()
+ try:
+ UpSet(
+ from_indicators(*[criteria.columns], data=criteria),
+ show_counts=True).plot(fig=fig)
+ except AttributeError:
+ pass
+ display(fig)
+ plt.close(fig)
+ gene_sets = {
+ "wrong_start": set(criteria[wrong_start_col].index),
+ "start_stop": set(criteria[start_stop_col].index),
+ "no_met_start": set(criteria[no_met_start_col].index),
+ "start_upstream": set(criteria[start_upstream_col].index),
+ # Not used
+ # "has_stops": set(criteria[has_stops_col].index),
+ "start_upstream_met_start": set(
+ criteria[start_upstream_met_start_col].index),
+ "start_upstream_met_start_nostops": set(
+ criteria[start_upstream_met_start_nostops_col].index),
+ "good_met_start": set(criteria[good_met_start_col].index),
+ "has_stops_good_met_start": set(
+ criteria[has_stops_good_met_start_col].index),
+ "no_stop_good_met_start": set(
+ criteria[no_stop_good_met_start_col].index)}
+ return (criteria, gene_sets)
+
+
+def detect_fishy_genes(codon_counts):
+ """
+ Run diagnostics about genes included in table *codon_counts*.
+
+ These should help decide whether to exclude some of the genes.
+
+ A table of boolean criteria is returned, with one line per gene.
+ """
+
+ def display_gene_set(gene_set, max_size=10):
+ """
+ Print out genes in a gene set, depending on their number.
+ """
+ if gene_set and len(gene_set) <= max_size:
+ print(" ", ", ".join(gene_set))
+
+ render_md("### Searching for mis-annotated genes")
+ (criteria, gene_sets) = compute_criteria(codon_counts)
+ render_md(
+ """
+We should avoid genes that are not in-frame. We can likely exclude
+those that do not start with a valid start codon.
+Here, this will be seen by looking at the translation of the first
+codon.
+If it is "*" (`start_stop`) or "-" (`wrong_start`),
+the codon is not a valid start codon.
+""")
+ wrong_start = gene_sets["wrong_start"]
+ render_md(f"There are {len(wrong_start)} genes that start with a `-`.")
+ display_gene_set(wrong_start)
+
+ start_stop = gene_sets["start_stop"]
+ render_md(
+ f"There are {len(start_stop)} genes that start with a stop codon.")
+ display_gene_set(start_stop)
+
+ no_met_start = gene_sets["no_met_start"]
+ if no_met_start == wrong_start | start_stop:
+ render_md(
+ """
+Genes not belonging to the `start_stop` or `wrong_start`
+category all start with a methionine.
+""")
+ else:
+ raise NotImplementedError(
+ "There are genes that start with something else than 'M', "
+ "'-' or '*'.")
+
+ start_upstream = gene_sets["start_upstream"]
+ render_md(
+ f"{len(start_upstream)} genes have a possibly ill-defined"
+ " start position.")
+ display_gene_set(start_upstream)
+
+ start_upstream_met_start = gene_sets["start_upstream_met_start"]
+ if start_upstream_met_start:
+ render_md(f"{len(start_upstream_met_start)} of them have a valid 'M'"
+ " start.")
+ display_gene_set(start_upstream_met_start)
+
+ start_upstream_met_start_nostops = gene_sets[
+ "start_upstream_met_start_nostops"]
+ if start_upstream_met_start_nostops:
+ render_md(f"{len(start_upstream_met_start_nostops)} of them"
+ " also do not contain any stop.")
+ display_gene_set(start_upstream_met_start_nostops)
+ render_md("Those genes could probably be kept.")
+
+ has_stops_good_met_start = gene_sets["has_stops_good_met_start"]
+ render_md(
+ f"{len(has_stops_good_met_start)} genes contain stops"
+ " but have a well defined start position with 'M'.")
+ display_gene_set(has_stops_good_met_start)
+
+ good_met_start = gene_sets["good_met_start"]
+ render_md(
+ f"{len(good_met_start)} genes have a well defined "
+ "start position with 'M'.")
+ render_md(
+ """
+If genes that have stop readthrough are a known phenomenon,
+only those among them that do not have a valid start codon
+might be excluded.
+""")
+
+ no_stop_good_met_start = gene_sets["no_stop_good_met_start"]
+ render_md(
+ f"{len(no_stop_good_met_start)} genes have a well defined"
+ " start position with 'M' and contain no stop codon.")
+ display_gene_set(no_stop_good_met_start)
+ return criteria
+
+
+def make_counts_only(
+ counts_table,
+ seq_id_kw="locus_tag", alt_tag_kw="old_locus_tag",
+ ref_info_cols=None):
+ """
+ Integrate "informative" columns of *counts_table* into the index.
+ """
+ # To ensure a stable order:
+ if ref_info_cols is None:
+ ref_info_cols = [
+ alt_tag_kw, seq_id_kw,
+ "start", "end", "length",
+ "start_codon", "expected_start_aa",
+ "first_stop", "nb_stops", "start_upstream", "end_downstream"]
+ # To ensure no info columns are lost:
+ info_cols = [
+ counts_table.index.name,
+ *counts_table.columns.difference(codon2aa)]
+ assert set(info_cols) == set(ref_info_cols)
+ return counts_table.reset_index().set_index(ref_info_cols)
+
+
+def make_aa_codon_columns(counts_table):
+ """Transform column headers into a (aa, codon) MultiIndex."""
+ counts_table.columns = pd.MultiIndex.from_tuples(
+ ((codon2aa[codon], codon) for codon in counts_table.columns),
+ names=("aa", "codon"))
+ render_md(
+ "We associated amino-acid information to codons, "
+ "as an extra level in the table columns.")
+ return counts_table
+
+
+def sort_counts_by_aa(counts_table):
+ """
+ Sort columns so that codons are grouped by corresponding amino-acid.
+ """
+ aacodons_order = list(aa2colour.keys())
+ # We need to include both aas and codons in the list
+ # because it will be used for both the aa and the codon levels
+ # when sorting the (aa, codon) MultiIndex
+ aacodons_order.extend(codon2aa.keys())
+
+ def aa_sortkey(col):
+ """
+ Key function to use when sorting a MultiIndex consisting in
+ (aa, codon) pairs.
+ """
+ return col.map(aacodons_order.index)
+ sorted_counts = counts_table.sort_index(
+ axis=1, level=(0, 1), ascending=(True, True), key=aa_sortkey)
+ render_md(
+ "The columns were sorted in order to group codons"
+ " by associated amino-acid.")
+ return sorted_counts
+
+
+def save_counts_table(counts_table, table_path):
+ """
+ Save table *counts_table* at *table_path*.
+ """
+ table_path.parent.mkdir(parents=True, exist_ok=True)
+ counts_table.to_csv(table_path, sep="\t")
+ render_md(f"The table was saved at [{table_path}]({table_path}).")
+
+
+def load_table_with_info_index(table_path, nb_info_cols, nb_cluster_series=0):
+ """
+ Load a table containing by-amino-acid codon counts or usage biases.
+
+ The table, located at *table_path*, should have tab-separated columns.
+ It is expected to contain a series of informative columns
+ preceding the columns containing the codon usage bias values.
+
+ The first *nb_info_cols* columns contain information about gene
+ identifiers and features extracted from CDS annotation data.
+
+ Then, there can be series of gene-clustering information, where each
+ column of the series corresponds to clusters defined based on
+ codon-usage biases among the codons coding an amino-acid.
+ There are no columns for amino-acids coded by only one codon (M and W).
+ *nb_cluster_series* specifies the number of such series.
+
+ The result is a pandas DataFrame object, where all the above information
+ is encoded as a MultiIndex, the codon counts or usage biases being in the
+ remaining columns.
+ """
+ return pd.read_csv(
+ table_path,
+ sep="\t",
+ # *nb_info_cols* starting levels from the initial table,
+ # plus levels corresponging to clustering information.
+ # By default, from 2 methods (nb_cluster_series=2):
+ # * `cluster_{aa}_kmeans` for each amino-acid
+ # having more than one codon
+ # * `cluster_{aa}_full_bias` for each amino-acid
+ # having more than one codon
+ index_col=list(
+ range(nb_info_cols + nb_cluster_series * (len(aa2colour) - 2))),
+ header=[0, 1])
+
+
+def split_info_index(table, keep_index_cols):
+ """
+ Split table *table* into info and data.
+
+ Info is supposed to be contained in the index of DataFrame *table*,
+ data in its columns.
+
+ Return a pair of tables, one for the data, one for the info,
+ where the index contains only the levels listed in *keep_index_cols*
+ """
+ drop_info_cols = [
+ colname for colname in table.index.names
+ if colname not in keep_index_cols]
+ info_table = table.reset_index()[
+ [*keep_index_cols, *drop_info_cols]].set_index(keep_index_cols)
+ # To avoid loss of index levels in input by side effect:
+ out_table = table.copy()
+ out_table.index = out_table.index.droplevel(drop_info_cols)
+ # To ensure indices have their levels in the same order
+ # in out_table and in infoinfo_table:
+ out_table = out_table.reset_index().set_index(keep_index_cols)
+ return (out_table, info_table)
+
+
+def filter_on_idx_levels(counts_table, filter_dict):
+ """
+ Filter a table *counts_table* based on values of certain index levels.
+
+ *filter_dict* should contain index level names as keys and values that
+ rows should have at this level to be included in the output
+ filtered table.
+ """
+ row_filter = np.all([
+ counts_table.index.get_level_values(idx_lvl) == idx_val
+ for (idx_lvl, idx_val) in filter_dict.items()], axis=0)
+ return counts_table[row_filter]
+
+
+# Codon usage calculations can be done in various ways.
+# Some examples are given at page 6500 (2 of the pdf) of
+# [Suzuki et al (2005)](https://doi.org/10.1016/j.febslet.2005.10.032)
+SUZUKI_DOI = "10.1016/j.febslet.2005.10.032"
+SUZUKI_LINK = f"[Suzuki et al (2005)](https://doi.org/{SUZUKI_DOI})"
+
+
+def remove_codons(codon_counts, codon_list):
+ """
+ Filter out codons in a table *codon_counts* based on codons present in the list *codon_list* (like stop codons).
+ """
+ codon_counts.drop(columns=codon_list, inplace=True)
+ return codon_counts
+
+
+def sum_codon_counts(row, codons):
+ """
+ Perform the row-wise sum of codon counts for the codons present in *codons* list given the row *row*.
+ """
+ sum = 0
+ for cod in codons:
+ sum += row[cod]
+ return sum
+
+
+def group_codons_by_sum(codon_counts, group_name, dict_classes, filter):
+ """
+ Group codons by sum given specific classes in *codon_counts* table.
+
+ *group_name* contains the name of the grouping, and plays the role of aa names in the original
+ codon counts table.
+ *dict_classes* contains the different classes under this grouping as keys and the associated
+ list of codons as values.
+ *filter* is a boolean set to True if you want to filter out other codons than the ones specified in
+ dict_classes. If set to False, the original codon_counts table is returned with additionnal columns for
+ the grouped_classes.
+ """
+ list_classes = list(dict_classes.items())
+ list_classes_names = []
+ for key, value in dict_classes.items():
+ codon_counts[group_name, key] = codon_counts.apply(lambda row: sum_codon_counts(row, value), axis=1)
+ list_classes_names.append(key)
+ if filter:
+ return codon_counts.loc[:, ([group_name], list_classes_names)]
+ else:
+ return codon_counts
+
+
+def gene_wide_codon_usage(
+ codon_counts,
+ verbose=False, return_more=False, ref_filter_dict=None):
+ """
+ Compute codon usage biases "gene-wide" as the standardized
+ difference between a gene's codon proportions and global
+ codon proportions (default).
+
+ If *ref_filter_dict* is not None, it should be a dict of
+ (index_level, index_value) pairs and the global codon proportions
+ will actually be proportions computed on the part of the data
+ restricted to the genes where the *index_level* has the *index_value*
+ for all those pairs.
+ """
+ render_md(f"""
+We will compute codon usage "gene-wide" (i.e. not by amino-acid),
+by looking at the proportion of codons within a gene's CDS.
+(This corresponds to R1 in {SUZUKI_LINK})
+""")
+ render_md("""
+To compute codon proportions, we can divide each line by its sum,
+or, equivalently (and hopefully more efficiently), normalize the data
+using the "l1" norm (which, for positive-only values amounts to the sum).
+""")
+ codon_proportions = pd.DataFrame(
+ normalize(codon_counts, norm="l1"),
+ index=codon_counts.index,
+ columns=codon_counts.columns)
+ # Doesn't seem to be working:
+ # codon_proportions.style.hide(axis="index")
+ if verbose:
+ display(codon_proportions.head(3))
+ # Check that the sum of proportions (columns) for a gene is 1
+ colsums = codon_proportions.sum(axis=1).values
+ # Due to imprecision in float arithmetics,
+ # we can only check that the sums are close to 1
+ #assert np.allclose(colsums, np.full(len(colsums), 1))
+ print("mean", np.mean(colsums))
+ assert np.isclose(np.mean(colsums), 1)
+ if ref_filter_dict is None:
+ counts_for_global = codon_counts
+ else:
+ counts_for_global = filter_on_idx_levels(
+ codon_counts, ref_filter_dict)
+ render_md("""
+To compute the usage biases, we also need to compute codon proportions
+in the global usage.
+""")
+ render_md("We compute the global usage, as the sum on columns.")
+ global_usage = counts_for_global.sum(axis=0)
+ render_md("Then we normalize it the same way as for the individual genes.")
+ # The values.reshape(1, -1) turns the Series data into a 2D array
+ # with one line. flatten() turns the data back to 1D
+ global_proportions = pd.Series(
+ normalize(global_usage.values.reshape(1, -1), norm="l1").flatten(),
+ index=global_usage.index)
+ # Can be 0.999999999999...
+ # if global_proportions.sum() != 1.:
+ # display(global_proportions)
+ # display(global_proportions.sum())
+ assert np.isclose(global_proportions.sum(), 1.)
+ # assert global_proportions.sum() == 1.
+ render_md("""
+Codon usage biases in genes can then be computed by subtracting
+the corresponding global proportion to a codon's proportion.
+""")
+ codon_usage_biases = codon_proportions.sub(global_proportions)
+ render_md("""
+We can standardize these values (by dividing by their standard deviation
+across genes) so that they are more comparable between codons.
+""")
+ standardized_codon_usage_biases = codon_usage_biases.div(
+ codon_usage_biases.std())
+ # Doesn't seem to be working:
+ # standardized_codon_usage_biases.style.hide(axis="index")
+ if verbose:
+ display(standardized_codon_usage_biases.head(3))
+ if return_more:
+ return {
+ "biases": standardized_codon_usage_biases,
+ "proportions": codon_proportions,
+ "global_proportions": global_proportions}
+ return standardized_codon_usage_biases
+
+
+def check_aa_codon_columns(table):
+ """
+ Check that the columns of *table* correspond to (aa, codon) pairs.
+ """
+ msg = "Codon proportions table should have two levels: 'aa' and 'codon'"
+ if table.columns.nlevels != 2:
+ raise ValueError(msg)
+ if table.columns.names[0] != "aa":
+ raise ValueError(msg)
+ if table.columns.names[1] != "codon":
+ raise ValueError(msg)
+
+
+def compute_rscu(codon_proportions_by_aa):
+ """
+ Compute Relative Synonymous Codon Usage from proportions in genes.
+
+ *codon_proportions_by_aa* should be a pandas DataFrame where
+ rows correspond to genes, and columns to codons. It contains
+ the proportions in the gene of the codon among those coding the
+ same amino-acid. The column index should be a pandas MultiIndex
+ where the first level is the amino-acid name, and the second level
+ the codon.
+
+ Return a pair where the first element is the rscu table, and
+ the second is the degeneracy table.
+ """
+ check_aa_codon_columns(codon_proportions_by_aa)
+ degeneracy = pd.Series(
+ # concat "flattens" the list of iterables given as arguments
+ # (list of tuples of repeated degeneracy values)
+ list(concat([
+ # we want stretches of the same degeneracy values
+ # of as many elements as there are codons in this degeneracy group,
+ # hence the tuple multiplication
+ ((degen),) * degen
+ # valmap transforms values in a dict given as second argument
+ # using the function given as first argument
+ # We extract only the value from the (key, value) pairs
+ # generated by the .items() methods of the resulting dict
+ # (Actually, we could probably have just used the .values() method)
+ for (_, degen) in valmap(
+ # len gives the length of each group,
+ # where a group contains the (aa, codon) pairs for a given aa,
+ # that is, the degeneracy for this group of codons
+ len,
+ # groupby creates a dict where keys are obtained from
+ # the function given as first argument and values are
+ # groups made from the iterable given as second argument
+ # (here, column names, which are (aa, codon) pairs)
+ # itemgetter(0) extracts the amino-acid from a pair (aa, codon)
+ groupby(
+ itemgetter(0),
+ codon_proportions_by_aa.columns)).items()])),
+ index=codon_proportions_by_aa.columns)
+ return (
+ codon_proportions_by_aa.mul(degeneracy),
+ degeneracy)
+
+
+def by_aa_codon_usage(
+ codon_counts,
+ verbose=False, return_more=False, ref_filter_dict=None):
+ """
+ Compute codon usage biases "by amino-acid" as the standardized
+ difference between a gene's codon proportions and global
+ codon proportions, where proportions are computed within
+ groups of same-amino-acid-coding codons instead of gene-wide.
+
+ If *ref_filter_dict* is not None, it should be a dict of
+ (index_level, index_value) pairs and the global codon proportions
+ will actually be proportions computed on the part of the data
+ restricted to the genes where the *index_level* has the *index_value*
+ for all those pairs.
+ """
+ check_aa_codon_columns(codon_counts)
+ render_md(f"""
+We will compute codon usage "by amino-acid", by looking at the
+proportion of codons for each amino-acid within a gene's CDS.
+(This corresponds to R2 in {SUZUKI_LINK})
+""")
+ render_md("""
+We first need to compute, for a given gene, the total number of codons
+corresponding to each amino-acid.
+""")
+ summed_by_aa = codon_counts.groupby(level=0, axis=1).sum()
+ render_md("""
+To compute codon proportions, we can then divide each codon counts by
+the total for the corresponding amino-acid.
+""")
+ codon_proportions = codon_counts.div(
+ summed_by_aa)
+ # Doesn't seem to be working:
+ # codon_proportions.style.hide(axis="index")
+ if verbose:
+ display(codon_proportions.head(3))
+ # There are some (genes, aa) pairs where the sum is zero.
+ # This is normal if that gene does not have that amino-acid.
+ sums = codon_proportions.groupby(level=0, axis=1).sum()
+ # Values in sums should be either zero or one.
+ all_ones = np.full(sums.shape, 1.)
+ all_zeroes = np.full(sums.shape, 0.)
+ # Due to imprecision in float arithmetics,
+ # we can only check that the sums are close to 1 or to 0
+ assert np.array_equal(
+ np.isclose(
+ sums.values, all_ones),
+ np.logical_not(
+ np.isclose(
+ sums.values, all_zeroes)))
+ if return_more:
+ render_md(f"""
+We will also compute RSCU (Relative Synonymous Codon Usage) by multiplying
+codon proportions by the degeneracy of the corresponding amino-acid, that is,
+by the number of different codons existing for that amino-acid.
+This amounts to computing codon counts relative to the average codon counts
+for that amino-acid.
+(This corresponds to R3 in {SUZUKI_LINK})
+""")
+ (rscu, degeneracy) = compute_rscu(codon_proportions)
+ render_md(f"""
+We will also compute R4 ({SUZUKI_LINK}) by computing codon counts relative
+to the maxium across synonymous codons of the counts for that amino-acid.
+""")
+ max_counts = codon_counts.T.groupby("aa").max().T
+ r4_table = codon_counts.div(
+ max_counts)
+ if ref_filter_dict is None:
+ counts_for_global = codon_counts
+ else:
+ counts_for_global = filter_on_idx_levels(
+ codon_counts, ref_filter_dict)
+ render_md("""
+To compute the usage biases, we also need to compute codon proportions
+in the global usage.
+""")
+ render_md("""
+We compute the global usage, as the sum of the counts for a given codon,
+across genes.
+""")
+ global_usage = counts_for_global.sum(axis=0)
+ if return_more:
+ # Same computation as for individual genes,
+ # but based on the total counts.
+ global_max_counts = global_usage.T.groupby("aa").max().T
+ global_r4 = global_usage.div(
+ global_max_counts)
+ render_md("Then we sum over codons corresponding to the same amino-acid.")
+ global_summed_by_aa = global_usage.groupby(level=0).sum()
+ render_md("""
+Dividing the global usage for each codon by the total for the corresponding
+amino-acid, we can now compute the global proportions the same way as for
+the individual genes.
+""")
+ global_proportions = global_usage.div(
+ global_summed_by_aa)
+ # The proportions of codons for a given amino-acid should sum to 1
+ assert all(
+ val == 1.
+ for val in global_proportions.groupby(level=0).sum())
+ render_md("""
+Codon usage biases in genes can then be computed by subtracting
+the corresponding global proportion to a codon's proportion.
+""")
+ codon_usage_biases = codon_proportions.sub(global_proportions)
+ render_md("""
+We can standardize these values (by dividing by their standard deviation
+across genes) so that they are more comparable between codons.
+""")
+ standardized_codon_usage_biases = codon_usage_biases.div(
+ codon_usage_biases.std())
+ # Doesn't seem to be working:
+ # standardized_codon_usage_biases.style.hide(axis="index")
+ if verbose:
+ display(standardized_codon_usage_biases.head(3))
+ if return_more:
+ return {
+ "biases": standardized_codon_usage_biases,
+ "proportions": codon_proportions,
+ "rscu": rscu,
+ "r4_table": r4_table,
+ "global_proportions": global_proportions,
+ "global_rscu": global_proportions.mul(degeneracy),
+ "global_r4": global_r4}
+ return standardized_codon_usage_biases
+
+
+def aa_usage(
+ codon_counts,
+ verbose=False, return_more=False, ref_filter_dict=None):
+ """
+ Compute amino-acid usage biases as the standardized
+ difference between a gene's amino-acid proportions
+ and global amino-acid proportions.
+
+ If *ref_filter_dict* is not None, it should be a dict of
+ (index_level, index_value) pairs and the global codon proportions
+ will actually be proportions computed on the part of the data
+ restricted to the genes where the *index_level* has the *index_value*
+ for all those pairs.
+ """
+ check_aa_codon_columns(codon_counts)
+ render_md("""
+We will compute amino-acid usage, by looking at the
+proportions of amino-acids within a gene's CDS.
+""")
+ render_md("""
+We first need to compute, for a given gene, the total number of codons
+corresponding to each amino-acid.
+""")
+ summed_by_aa = codon_counts.groupby(level=0, axis=1).sum()
+ render_md("""
+To compute amino-acid proportions, we can divide each line by its sum,
+or, equivalently (and hopefully more efficiently), normalize the data
+using the "l1" norm (which, for positive-only values amounts to the sum).
+""")
+ aa_proportions = pd.DataFrame(
+ normalize(summed_by_aa, norm="l1"),
+ index=summed_by_aa.index,
+ columns=summed_by_aa.columns)
+ # Doesn't seem to be working:
+ # aa_proportions.style.hide(axis="index")
+ if verbose:
+ display(aa_proportions.head(3))
+ # Checking that proportions sum to 1
+ colsums = aa_proportions.sum(axis=1)
+ assert np.allclose(colsums, np.full(len(colsums), 1))
+ # Then, computing the global amino-acid proportions
+ if ref_filter_dict is None:
+ counts_for_global = summed_by_aa
+ else:
+ counts_for_global = filter_on_idx_levels(
+ summed_by_aa, ref_filter_dict)
+ render_md("""
+To compute the usage biases, we also need to compute amino-acid proportions
+in the global usage.
+""")
+# render_md("""
+# We compute the global usage, as the sum of the counts for a given codon,
+# across genes.
+# """)
+# global_usage = codon_counts.sum(axis=0)
+ render_md("Then we sum over codons corresponding to the same amino-acid.")
+ # global_summed_by_aa = global_usage.groupby(level=0).sum()
+ global_summed_by_aa = counts_for_global.sum()
+ render_md("Then we normalize it the same way as for the individual genes.")
+ # The values.reshape(1, -1) turns the Series data into a 2D array
+ # with one line. flatten() turns the data back to 1D
+ global_aa_proportions = pd.Series(
+ normalize(
+ global_summed_by_aa.values.reshape(1, -1),
+ norm="l1").flatten(),
+ index=global_summed_by_aa.index)
+ render_md("""
+Amino-acid usage biases can be computed by subtracting the corresponding
+global proportion to an amino-acid's proportion.
+""")
+ aa_usage_biases = aa_proportions.sub(global_aa_proportions)
+ render_md("""
+We can standardize these values (by dividing by their standard deviation
+across genes) so that they are more comparable between amino-acids.
+""")
+ standardized_aa_usage_biases = aa_usage_biases.div(aa_usage_biases.std())
+ # Doesn't seem to be working:
+ # standardized_aa_usage_biases.style.hide(axis="index")
+ if verbose:
+ display(standardized_aa_usage_biases.head(3))
+ if return_more:
+ return {
+ "biases": standardized_aa_usage_biases,
+ "proportions": aa_proportions,
+ "global_proportions": global_aa_proportions}
+ return standardized_aa_usage_biases
+
+
+def exclude_all_nan_cols(usage_table, fill_other_nas=np.nan):
+ """
+ Detect columns in *usage_table* that contain only NaNs
+ and remove them from the table. Other NaN values are replaced
+ with *fill_other_nas*.
+ """
+ render_md("""
+Standardization may result in division by zero for usage data
+that have a zero standard deviation.
+This is expected to be the case for "by amino-acid" usage biases
+for codons corresponding to amino-acids having only one codon:
+methionine (M) and tryptophan (W).
+""")
+ all_nan_cols = usage_table.columns[
+ usage_table.isna().all()]
+ if len(all_nan_cols):
+ render_md("The following columns contain only NaNs:")
+ display(all_nan_cols)
+ render_md("This likely resulted from a division by zero.")
+ render_md("These columns will be excluded.")
+ return (
+ usage_table.drop(columns=all_nan_cols).fillna(fill_other_nas),
+ all_nan_cols)
+
+
+def codon_influence_in_components(
+ components, colnames,
+ figs_dir=None, more_components=False, formats=None):
+ """
+ Plot the influence of the columns in the first 4 principal axes of a PCA.
+
+ Each column should correspond to a codon, and will be represented as a
+ colour bar whose coulour is based on the last letter of the codon.
+
+ *components* should be a numpy array representing the principal
+ axes of a PCA, such as the `components_` attribute of a fitted
+ `sklearn.decomposition.PCA` object.
+
+ *colnames* should be the names of the columns in the *components*
+ array and are expected to match the following pattern:
+ <aa>_<codon>, where <aa> is a single-letter code for an amino-acid,
+ and <codon> is one of the 3-letter codons for this amino-acid,
+ in capital letters among A, T, G and C (i.e. in the DNA alphabet).
+ The last letter will be used to set the colour of a bar in the plots
+
+ *figs_dir* should be a path to a directory that will be used
+ to save graphics representing the influence of each data column
+ on the first four principal components.
+
+ *formats* should be a list of formats in which the figures should
+ be saved, such as "svg" or "png".
+ """
+ render_md(
+ "Vizualizing the influence of codons in the first components\n")
+ # TODO: *figsize* could be adapted depending on the number of columns
+ if more_components:
+ (fig, axes) = plt.subplots(12, 1, figsize=(16, 60))
+ else:
+ (fig, axes) = plt.subplots(4, 1, figsize=(16, 16))
+ for (component, axis) in enumerate(axes):
+ pd.Series(
+ components[component],
+ index=colnames).plot.bar(
+ ax=axis,
+ # colname is supposed to end with the 3-letters codon
+ color=[
+ nuc2colour[colname[-1]]
+ for colname in colnames])
+ axis.set_ylabel(f"weight in component {component}")
+ # axis.set_xticklabels(axis.get_xticklabels(), rotation=90)
+ fig.subplots_adjust(hspace=.5)
+ if figs_dir is not None and formats is not None:
+ for ext in formats:
+ plt.savefig(
+ figs_dir.joinpath(f"PCA_components.{ext}"),
+ metadata=fmt_metadata[ext])
+ display(fig)
+ plt.close(fig)
+
+
+def codon_usage_pca(
+ usage_data,
+ figs_dir=None, hue="chrom", exclude_cols=None, plot_more_components=False,
+ formats=None, cols_are_codons=True):
+ """
+ Perform Principal Component Analysis on *usage_data*.
+
+ DataFrame *usage_data* is expected to contain observations as lines
+ and contain numerical values in columns, without NaNs, corresponding
+ to codons, where the columns headers are supposed to match the following
+ pattern: <aa>_<codon>, where <aa> is a single-letter code for
+ an amino-acid, and <codon> is one of the 3-letter codons for this
+ amino-acid, in capital letters among A, T, G and C
+ (i.e. in the DNA alphabet).
+
+ *hue* is expected to be one of the levels of the MultiIndex of
+ *usage_data*, and will be used to assign colours to the observations
+ in PCA plots. By default, colour is based on the content of a "chrom"
+ level in the index.
+
+ If *figs_dir* is not None, this path to a directory will be used
+ to save graphics representing the projection of the observations
+ in the first four principal components (0 vs. 1 and 2 vs. 3).
+
+ Unless *cols_are_codons* is set to False, there will also be
+ graphics representing the influence of each data column
+ on the first four principal components.
+
+ *formats* should be a list of formats in which the figures should
+ be saved, such as "svg" or "png".
+
+ If *exclude_cols* is not None, the columns with the names contained
+ in the iterable *exclude_cols* will not be included in the PCA analysis.
+ """
+ if figs_dir is not None:
+ figs_dir = Path(figs_dir)
+ figs_dir.mkdir(parents=True, exist_ok=True)
+ if exclude_cols is not None:
+ usage_data = usage_data.drop(columns=exclude_cols)
+ pca = PCA().fit(usage_data)
+ transformed_data = pd.DataFrame(
+ pca.transform(usage_data),
+ index=usage_data.index).reset_index(level=hue)
+ render_md(
+ "Plotting genes on the first components\n")
+ if plot_more_components:
+ (fig, axes) = plt.subplots(3, 2, figsize=(16, 25))
+ sns.scatterplot(
+ data=transformed_data,
+ x=0, y=1, hue=hue, marker=".", ax=axes[0,0])
+ sns.scatterplot(
+ data=transformed_data,
+ x=2, y=3, hue=hue, marker=".", ax=axes[0,1])
+ sns.scatterplot(
+ data=transformed_data,
+ x=4, y=5, hue=hue, marker=".", ax=axes[1,0])
+ sns.scatterplot(
+ data=transformed_data,
+ x=6, y=7, hue=hue, marker=".", ax=axes[1,1])
+ sns.scatterplot(
+ data=transformed_data,
+ x=8, y=9, hue=hue, marker=".", ax=axes[2,0])
+ sns.scatterplot(
+ data=transformed_data,
+ x=10, y=11, hue=hue, marker=".", ax=axes[2,1])
+ else:
+ (fig, axes) = plt.subplots(1, 2, figsize=(16, 8))
+ sns.scatterplot(
+ data=transformed_data,
+ x=0, y=1, hue=hue, marker=".", ax=axes[0])
+ sns.scatterplot(
+ data=transformed_data,
+ x=2, y=3, hue=hue, marker=".", ax=axes[1])
+
+ if figs_dir is not None and formats is not None:
+ for ext in formats:
+ plt.savefig(
+ figs_dir.joinpath(f"PCA_projections.{ext}"),
+ metadata=fmt_metadata[ext])
+ display(fig)
+ plt.close(fig)
+ if cols_are_codons:
+ codon_influence_in_components(
+ pca.components_, usage_data.columns,
+ figs_dir=figs_dir, more_components=plot_more_components, formats=formats)
+ return (pca, transformed_data)
+
+
+def centroid_usage(codon_counts, all_nan_cols):
+ """
+ Define "centroids" for gene clusters, one per codon in *codon_counts*.
+
+ The standardized usage biases of these centroids are computed so that
+ the codon proportions for a given amino-acid are the same as the global
+ proportions, except for the codons corresponding to a certain amino-acid.
+ For each amino-acid, there is one centroid per codon, where the
+ proportion for this codon is set to 1.0, and 0.0 for the other codons.
+ """
+ check_aa_codon_columns(codon_counts)
+ summed_by_aa = codon_counts.groupby(level=0, axis=1).sum()
+ global_usage = codon_counts.sum(axis=0)
+ global_summed_by_aa = global_usage.groupby(level=0).sum()
+ global_proportions_by_aa = global_usage.div(
+ global_summed_by_aa)
+ codon_proportions_by_aa = codon_counts.div(summed_by_aa)
+ codon_usage_biases_by_aa = codon_proportions_by_aa.sub(
+ global_proportions_by_aa)
+ # _columns_by_aa may be different from columns_by_aa
+ # Groups of column headers for each amino-acid
+ # key: aa, value: list of (aa, codon) pairs
+ _columns_by_aa = groupby(itemgetter(0), codon_proportions_by_aa.columns)
+
+ def generate_centroid_proportions():
+ for (aa1, columns) in _columns_by_aa.items():
+ for (_, codon1) in columns:
+ proportions = global_proportions_by_aa.copy()
+ for (aa2, codon2) in columns:
+ proportions[(aa2, codon2)] = 0.0
+ proportions[(aa1, codon1)] = 1.0
+ proportions.name = (
+ f"{aa1}_{codon1}", f"{aa1}_{codon1}",
+ *np.full(
+ codon_proportions_by_aa.index.nlevels - 2,
+ np.nan))
+ yield proportions
+
+ render_md("""
+For each codon, a "centroid" (future center of a cluster of genes)
+is defined where the proportion of this codon is set to 1.0.
+For the other codons corresponding to the same amino-acid, the proportion
+is therefore set to 0.0.
+For codons corresponding to other amino-acids, the proportions are set to
+the proportions observed in the global data.
+""")
+ centroids_proportions_by_aa = pd.DataFrame(
+ generate_centroid_proportions())
+ centroids_proportions_by_aa.index.rename(
+ codon_proportions_by_aa.index.names,
+ inplace=True)
+
+ render_md("""
+The biases for the centroids are then computed by subtracting to those
+proportions the proportions in the global data, and the biases are
+standardized by dividing by the standard deviation of codon usage biases
+in the data.
+""")
+ # Compute biases using the same global proportions as the real data
+ # and standardize by the same standard deviations as the real data
+ centroids_scub_by_aa = centroids_proportions_by_aa.sub(
+ global_proportions_by_aa).div(codon_usage_biases_by_aa.std()).drop(
+ columns=all_nan_cols)
+ # centroids_scub_by_aa.head(3)
+ return centroids_scub_by_aa
+
+
+def make_centroids_cluster_finder(
+ centroids_table,
+ aa): # pylint: disable=C0103
+ """
+ Make a function that, when applied to a row in the standardized
+ codon bias table, determines to what centroid among those
+ corresponding to *aa* it is the closest.
+ The *centroids_table* should contain standardized codon usage
+ biases for the centroids.
+ """
+ # The columns that contain data pertaining to codons coding aa:
+ cols_for_aa = centroids_table.columns.get_level_values(0) == aa
+ cluster_names = [
+ f"{aa}_{codon}"
+ for (aa, codon) in centroids_table.columns[cols_for_aa]]
+
+ def closest_centroid(gene):
+ dists_to_centroids = {}
+ for cluster_name in cluster_names:
+ dists_to_centroids[cluster_name] = sqdist(
+ gene[cols_for_aa].values,
+ centroids_table.loc[cluster_name].iloc[:, cols_for_aa].values)
+ # We return the cluster_name (`min(...))[1]`)
+ # associated with the minimum distance
+ return min(
+ (dist, cluster_name)
+ for (cluster_name, dist)
+ in dists_to_centroids.items())[1]
+ return closest_centroid
+
+
+def make_cluster_table(scub_table, centroids_scub_table):
+ """
+ Make a table for the genes in standardized codon usage bias
+ table *scub_table* where each column tells, for a given
+ amino-acid to which centroid in *centroids_scub_table*
+ it is the closest.
+ """
+ return pd.DataFrame(
+ {
+ (f"cluster_{aa}_full_bias", ""): scub_table.apply(
+ make_centroids_cluster_finder(centroids_scub_table, aa),
+ axis=1).values
+ for aa # pylint: disable=C0103
+ in unique(centroids_scub_table.columns.get_level_values(0))},
+ index=scub_table.index)
+
+
+def compare_clusterings(
+ usage_table,
+ clust1_template="cluster_{aa}_full_bias",
+ clust2_template="cluster_{aa}_highest_bias"):
+ """
+ Compare lists of genes in *usage_table* for the clusters
+ found in the columns whose name conform to
+ *clust1_template* and *clust2_template*.
+ """
+ crosstabs = {}
+ for aa in aa2colour.keys(): # pylint: disable=C0103
+ if aa in {"M", "W"}:
+ continue
+ clust1_level = clust1_template.format(aa=aa)
+ clust2_level = clust2_template.format(aa=aa)
+ crosstabs[aa] = pd.crosstab(
+ usage_table.reset_index()[clust1_level],
+ usage_table.reset_index()[clust2_level])
+ cols_for_aa = columns_by_aa[aa]
+ cluster_names = [
+ f"{aa}_{codon}"
+ for (aa, codon) in usage_table[cols_for_aa].columns]
+ # Checking that the clusters are the same
+ same_clusters = True
+ for (clust_1, clust_2) in combinations(cluster_names, 2):
+ # assert crosstabs[aa][clust_1][clust_2] == 0
+ try:
+ # if crosstabs[aa][clust_1][clust_2] != 0:
+ if (crosstabs[aa][clust_1][clust_2] != 0) \
+ or (crosstabs[aa][clust_2][clust_1] != 0):
+ same_clusters = False
+ except KeyError:
+ # At least one cluster is absent.
+ # Is the absence symmetric?
+ miss_1_in_1 = clust_1 in usage_table.reset_index()[
+ clust1_level]
+ miss_2_in_2 = clust_2 not in usage_table.reset_index()[
+ clust2_level]
+ miss_1_in_2 = clust_1 in usage_table.reset_index()[
+ clust2_level]
+ miss_2_in_1 = clust_2 not in usage_table.reset_index()[
+ clust1_level]
+ if (
+ (miss_1_in_1 != miss_1_in_2)
+ or (miss_2_in_1 != miss_2_in_2)):
+ same_clusters = False
+ if not same_clusters:
+ render_md(f"\nClusters for {aa} differ:\n")
+ else:
+ render_md(f"\nClusters for {aa} are identical:\n")
+ display(crosstabs[aa])
+
+
+def load_bias_table(table_path, nb_info_cols=9, nb_cluster_series=2):
+ """
+ Load a table containing by-amino-acid codon usage biases.
+
+ The table, located at *table_path*, should have tab-separated columns.
+ It is expected to contain a series of informative columns
+ preceding the columns containing the codon usage bias values.
+
+ The first *nb_info_cols* columns contain information about gene
+ identifiers and features extracted from CDS annotation data.
+
+ Then, there can be series of gene-clustering information, where each
+ column of the series corresponds to clusters defined based on
+ codon-usage biases among the codons coding an amino-acid.
+ There are no columns for amino-acids coded by only one codon (M and W).
+ *nb_cluster_series* specifies the number of such series.
+
+ The result is a pandas DataFrame object, where all the above information
+ is encoded as a MultiIndex, the codon usage biases being in the
+ remaining columns.
+ """
+ return load_table_with_info_index(
+ table_path, nb_info_cols, nb_cluster_series)
+
+
+def star2stop(text):
+ """
+ Replace stars with "stop", for use in file paths.
+ """
+ return text.replace("*", "stop")
+
+
+def write_cluster_lists(
+ usage_table,
+ aa, # pylint: disable=C0103
+ clusters_dir,
+ cluster_level_template,
+ y_label_template,
+ alt_tag_kw="old_locus_tag"):
+ """
+ Extract lists of genes in *usage_table** for the clusters
+ associated with codons for amino-acid *aa* and write the
+ resulting lists in a sub-folder (named based on *aa*)
+ of the directory *clusters_dir*.
+ The clusters are found in the column whose name conforms to
+ *cluster_level_template*
+ Also generate violin plots for each cluster.
+ """
+ md_report = f"* Clusters for {aa}:\n\n"
+ aa_dir = clusters_dir.joinpath(star2stop(aa))
+ aa_dir.mkdir(parents=True, exist_ok=True)
+ # key: cluster
+ # value: relative path to a file containing old locus tags
+ # for genes belonging to this cluster
+ relpaths_to_cluster_lists = {}
+ for (cluster, gene_list) in groupby(itemgetter(0), zip(
+ usage_table.index.get_level_values(
+ cluster_level_template.format(aa=aa)),
+ usage_table.index.get_level_values(alt_tag_kw))).items():
+ path_to_clusterfile = aa_dir.joinpath(star2stop(f"{cluster}.txt"))
+ with path_to_clusterfile.open("w") as clust_fh:
+ clust_fh.write("\n".join(map(itemgetter(1), gene_list)))
+ relpaths_to_cluster_lists[cluster] = str(
+ path_to_clusterfile.relative_to('.'))
+ md_report += "\n\n".join([
+ f" - [{cluster}]({relpath_to_list})"
+ for (cluster, relpath_to_list) in relpaths_to_cluster_lists.items()])
+ violin_usage_by_clusters(
+ usage_table,
+ aa,
+ y_label_template,
+ cluster_level_template=cluster_level_template,
+ vertical=True)
+ path_to_fig = aa_dir.joinpath(star2stop(
+ f"usage_biases_violin_plots_by_cluster_for_{aa}.png"))
+ plt.savefig(path_to_fig, metadata=fmt_metadata["png"])
+ plt.close()
+ relpath_to_fig = str(path_to_fig.relative_to('.'))
+ md_report += (
+ f"\n\n - [Violin plots for {aa} clusters]({relpath_to_fig})\n\n")
+ return md_report
+
+
+def find_valley(values):
+ """
+ Try to find a cutting threshold for the *values*,
+ where the corresponding density distribution is lowest.
+ """
+ if len(set(values)) == 1:
+ (single_val,) = set(values)
+ return single_val
+ min_val = min(values)
+ max_val = max(values)
+ val_range = max_val - min_val
+ # We use 100 bins
+ try:
+ val_density = gaussian_kde(values).evaluate(
+ np.linspace(min_val, max_val, 100))
+ except LinAlgError as err:
+ print(f"min: {min_val}, max: {max_val}, N: {len(values)}.")
+ print(str(err))
+ raise
+ # Where is the density lowest? (excluding first and last)
+ min_density_idx = val_density[1:-1].argmin()
+ # Finding the value corresponding to the index in the `val_density` array:
+ return min_val + (min_density_idx * val_range / 100)
+
+
+def find_most_biased_genes(data, do_retries=True, alt_tag_kw="old_locus_tag"):
+ """
+ Compute a usage bias threshold hopefully separating the most biased genes
+ from the remainder of the cluster where *data* contains codon usage biases
+ for the genes in the cluster and has an *alt_tag_kw* level in its index.
+ Return the threshold in terms of usage bias and the list of genes above it.
+
+ /!\ This is likely very sensitive to the shape
+ of the usage bias distribution.
+ """
+ thresh = find_valley(data.values)
+ # Try avoiding cases with threshold "misplaced" at the bottom
+ # of the distribution
+ retries = 0
+ while do_retries and thresh < 0:
+ retries += 1
+ thresh = find_valley(data.sort_values().iloc[retries:].values)
+ top_genes = data[(data > thresh)].index.get_level_values(alt_tag_kw).values
+ return (thresh, top_genes, retries)
+
+
+def extract_top_genes_from_cluster(
+ usage_table,
+ aa, # pylint: disable=C0103
+ codon,
+ clusters_dir,
+ axis=None, savefig=True, alt_tag_kw="old_locus_tag"):
+ """
+ Return a few lines of markdown with links pointing to
+ where the saved results are expected to be found.
+ """
+ md_report = f" - Most biased genes for {codon} ({aa}):\n\n"
+ aa_dir = clusters_dir.joinpath(star2stop(aa))
+ # Files where to save the results
+ top_dir = aa_dir.joinpath("top_genes")
+ path_to_top = top_dir.joinpath(star2stop(f"{aa}_{codon}_top.txt"))
+ path_to_top25 = top_dir.joinpath(star2stop(f"{aa}_{codon}_top25.txt"))
+ path_to_fig = top_dir.joinpath(star2stop(
+ f"usage_biases_violin_plot_{aa}_{codon}.png"))
+ # Load the list of genes belonging to the cluster
+ # associated with a high usage bias for *codon*
+ path_to_clusterfile = aa_dir.joinpath(star2stop(f"{aa}_{codon}.txt"))
+ with open(path_to_clusterfile) as gene_list_fh:
+ genes = [line.strip() for line in gene_list_fh]
+ # Extract the usage bias data for these genes and for this codon
+ idx_level = usage_table.index.names.index(alt_tag_kw)
+ try:
+ # data = usage_table.loc[genes][(aa, codon)]
+ data = usage_table.loc[
+ (*(slice(None) for _ in range(idx_level)), genes),
+ (aa, codon)]
+ except KeyError:
+ print(genes[0])
+ print(usage_table.index.names)
+ raise
+ q3 = data.quantile(0.75) # pylint: disable=C0103
+ top25 = data[(data > q3)].index.get_level_values(
+ alt_tag_kw).values
+ (thresh, top_genes, retries) = find_most_biased_genes(
+ data, do_retries=True, alt_tag_kw=alt_tag_kw)
+ if retries != 0:
+ print(
+ f"Bottom-most {retries} values had to be discarded in order "
+ f"to avoid a negative threshold for the cluster {aa}_{codon}.")
+ top_genes_check = set(
+ usage_table[
+ (usage_table[(aa, codon)] > thresh)].index.get_level_values(
+ alt_tag_kw).values)
+ if set(top_genes) != top_genes_check:
+ assert set(top_genes).issubset(top_genes_check)
+ extra_genes_not_in_cluster = top_genes_check - set(top_genes)
+ print(
+ f"{len(extra_genes_not_in_cluster)} genes were found "
+ f"with a high bias for {codon} but not belonging "
+ f"to the cluster {aa}_{codon}.")
+ # For visual verification purpose,
+ # display where the threshold is situated on a violin plot
+ axis = violin_with_thresh(
+ data, [(thresh, "red"), (q3, "blue")],
+ f"standardized usage bias for {codon} ({aa})",
+ facecolor=aa2colour[aa], axis=axis)
+ # Save the figure and close it.
+ plt.tight_layout()
+ if savefig:
+ top_dir.mkdir(parents=True, exist_ok=True)
+ plt.savefig(path_to_fig, metadata={'creationDate': None})
+ plt.close()
+ # Save the list of the top genes
+ with open(path_to_top25, "w") as gene_list_fh:
+ gene_list_fh.write("\n".join(top25))
+ with open(path_to_top, "w") as gene_list_fh:
+ gene_list_fh.write("\n".join(top_genes))
+ relpath_to_top25 = str(path_to_top25.relative_to('.'))
+ relpath_to_top = str(path_to_top.relative_to('.'))
+ relpath_to_fig = str(path_to_fig.relative_to('.'))
+ md_report += "\n\n".join([
+ f" * [top 25% genes]({relpath_to_top25})",
+ f" * [top genes]({relpath_to_top})",
+ f" * [violin plot with thresholds ({q3:.3}, "
+ f"{thresh:.3})]({relpath_to_fig})"])
+ return md_report
+
+
+# TODO:
+def plot_codon_usage_for_gene_list(
+ gene_list_path,
+ usage_table,
+ aa, # pylint: disable=C0103
+ codon,
+ figs_dir=None,
+ axis=None, savefig=True, alt_tag_kw="old_locus_tag"):
+ """
+ Make a violin plot of codon usage biases for genes in file *gene_list_path*
+ using data in *usage_table*.
+ The plot will represent the distribution of usage bias
+ for codon *codon* of amino-acid *aa*.
+ The plot will be saved inside *figs_dir* if *savefig* is set to True.
+ Gene identifiers are expected to be *alt_tag_kw* identifiers.
+ """
+ md_report = f" - Genes from {gene_list_path}:\n\n"
+ with open(gene_list_path) as gene_list_fh:
+ genes = [
+ line.strip() for line in gene_list_fh
+ if line[0] != "#"]
+ # Extract the usage bias data for these genes and for this codon
+ idx_level = usage_table.index.names.index(alt_tag_kw)
+ try:
+ # data = usage_table.loc[genes][(aa, codon)]
+ data = usage_table.loc[
+ (*(slice(None) for _ in range(idx_level)), genes),
+ (aa, codon)]
+ except KeyError:
+ print(
+ f"Genes are supposed to be provided as {alt_tag_kw} identifiers.")
+ print(genes[0])
+ print(usage_table.index.names)
+ raise
+ q3 = data.quantile(0.75) # pylint: disable=C0103
+ # top25 = data[(data > q3)].index.get_level_values(
+ # alt_tag_kw).values
+ (thresh, top_genes, retries) = find_most_biased_genes(
+ data, do_retries=True, alt_tag_kw=alt_tag_kw)
+ if retries != 0:
+ print(
+ f"Bottom-most {retries} values (out of {len(data)}) "
+ "had to be discarded in order to avoid a negative threshold "
+ f"for the cluster {aa}_{codon}.")
+ top_genes_check = set(
+ usage_table[
+ (usage_table[(aa, codon)] > thresh)].index.get_level_values(
+ alt_tag_kw).values)
+ if set(top_genes) != top_genes_check:
+ assert set(top_genes).issubset(top_genes_check)
+ extra_genes_not_in_cluster = top_genes_check - set(top_genes)
+ print(
+ f"{len(extra_genes_not_in_cluster)} genes were found "
+ f"with a high bias for {codon} but not belonging to "
+ f"the cluster {aa}_{codon}.")
+ # For visual verification purpose,
+ # display where the threshold is situated on a violin plot
+ axis = violin_with_thresh(
+ data, [(thresh, "red"), (q3, "blue")],
+ f"standardized usage bias for {codon} ({aa})",
+ facecolor=aa2colour[aa], axis=axis)
+ # Save the figure and close it.
+ plt.tight_layout()
+ if not savefig:
+ return md_report
+ if figs_dir is None:
+ raise ValueError("No *figs_dir* directory specified.\n")
+ aa_dir = figs_dir.joinpath(star2stop(aa))
+ # Files where to save the results
+ aa_dir.mkdir(parents=True, exist_ok=True)
+ path_to_fig = aa_dir.joinpath(star2stop(
+ f"usage_biases_violin_plot_{aa}_{codon}.png"))
+ plt.savefig(path_to_fig, metadata=fmt_metadata["png"])
+ plt.close()
+ # Save the list of the top genes
+ # path_to_top = aa_dir.joinpath(star2stop(f"{aa}_{codon}_top.txt"))
+ # path_to_top25 = aa_dir.joinpath(star2stop(f"{aa}_{codon}_top25.txt"))
+ # with open(path_to_top25, "w") as gene_list_fh:
+ # gene_list_fh.write("\n".join(top25))
+ # with open(path_to_top, "w") as gene_list_fh:
+ # gene_list_fh.write("\n".join(top_genes))
+ # relpath_to_top25 = str(path_to_top25.relative_to('.'))
+ # relpath_to_top = str(path_to_top.relative_to('.'))
+ relpath_to_fig = str(path_to_fig.relative_to('.'))
+ md_report += "\n\n".join([
+ # f" * [top 25% genes]({relpath_to_top25})",
+ # f" * [top genes]({relpath_to_top})",
+ f" * [violin plot with thresholds ({q3:.3}, "
+ f"{thresh:.3})]({relpath_to_fig})"])
+ return md_report
+
+
+def boxplot_usage(usage_table, ylabel, whiskers="1.5 IQR"):
+ """
+ Plot a boxplot from pandas DataFrame *usage_table*.
+
+ Use *y_label* as y-axis label.
+ """
+ nb_genes = usage_table.shape[0]
+ if whiskers == "1.5 IQR":
+ axis = usage_table.plot.box(figsize=(18, 6), rot=90, sym=".")
+ axis.set_title(
+ f"Distributions of codon usage biases among {nb_genes} "
+ "genes (whiskers at 1.5 IQR).")
+ elif whiskers == "5 percent tails":
+ axis = usage_table.plot.box(
+ figsize=(18, 6), rot=90, sym=".", whis=(5, 95))
+ axis.set_title(
+ f"Distributions of codon usage biases among {nb_genes} "
+ "genes (whiskers at the 5th and 95th percentiles).")
+ axis.set_ylabel(ylabel)
+
+
+def to_long_form(usage_table, ylabel, others=None):
+ """
+ Transform data in *usage_table* into "long form".
+
+ The goal is to be able to use aa as hue in violin plots.
+
+ See https://pandas.pydata.org/docs/user_guide/10min.html#stack
+ and https://seaborn.pydata.org/generated/seaborn.violinplot.html
+
+ *y_label* is the column header you want to set for the usage values.
+
+ *others* should be a list of extra information you want to extract
+ from the index (which is expected to be a pandas MultiIndex).
+ """
+ col_nb_levels = usage_table.columns.nlevels
+ row_nb_levels = usage_table.index.nlevels
+ long_form = usage_table.stack(
+ level=list(range(col_nb_levels))).to_frame().reset_index(
+ level=list(range(
+ row_nb_levels, row_nb_levels + col_nb_levels)))
+ if others is None:
+ others = []
+ if col_nb_levels == 1:
+ long_form.columns = ["aa", ylabel]
+ others = [other for other in others if other != "aa"]
+ elif col_nb_levels == 2:
+ long_form.columns = ["aa", "codon", ylabel]
+ others = [other for other in others if other not in {"aa", "codon"}]
+ else:
+ raise NotImplementedError(
+ "Don't know how to deal with column headers "
+ "with more than 2 levels ('aa' and 'codon')\n")
+ long_form = long_form.reset_index(level=[
+ lvl_name for lvl_name in usage_table.index.names
+ if lvl_name.startswith("cluster")])
+ if not set(others).issubset(set(long_form.index.names)):
+ print(set(others))
+ print(set(long_form.index.names))
+ raise ValueError(
+ "All elements in *others* should be in the index "
+ "of *usage_table*")
+ return long_form.assign(**{
+ other: long_form.index.get_level_values(other) for other in others})
+
+
+def variable2order(variable):
+ """
+ Define the order of amino-acids or codons.
+ """
+ if variable == "aa":
+ return list(columns_by_aa.keys())
+ if variable == "codon":
+ return [codon for (_, codon) in concat(columns_by_aa.values())]
+ raise ValueError("variable can only be 'aa' or 'codon'.\n")
+
+
+def format_codon_labels(codons):
+ """
+ Add amino-acid information to codons meant to be used as tick labels.
+ """
+ return [
+ plt.Text(x, y, f"{codon} ({codon2aa[codon]})")
+ for (x, y, codon) in map(attrgetter("_x", "_y", "_text"), codons)]
+
+
+def violin_usage(
+ usage_table, variable, ylabel,
+ hue="aa", axis=None, **violin_kwargs):
+ """
+ Plot violin plots of codon usage biases.
+
+ *variable* should be either "codon" or "aa".
+ """
+ if hue in {"aa", "codon"}:
+ dodge = False
+ nb_violins = 1
+ else:
+ dodge = True
+ # dodge = True implies there will be one violin
+ # per possible value of *hue*, side by side
+ nb_violins = len(usage_table.index.get_level_values(hue).unique())
+ long_form = to_long_form(usage_table, ylabel, others=[hue])
+ if axis is None:
+ _, axis = plt.subplots(figsize=(18 * nb_violins, 6))
+ do_legend = True
+ else:
+ do_legend = False
+ if hue == "aa":
+ palette = aa2colour
+ else:
+ palette = None
+ kwargs = {
+ "x": variable, "y": ylabel, "order": variable2order(variable),
+ "hue": hue, "palette": palette, "dodge": dodge,
+ "data": long_form, "ax": axis, "orient": "v", "scale": "count"}
+ kwargs.update(violin_kwargs)
+ axis = sns.violinplot(**kwargs)
+ if do_legend:
+ plt.legend(bbox_to_anchor=(1.01, 1), borderaxespad=0)
+ if variable == "codon":
+ ticklabels = format_codon_labels(axis.get_xticklabels())
+ else:
+ ticklabels = axis.get_xticklabels()
+ # TODO: Expect issues when variable == "aa"
+ axis.set_xticklabels(ticklabels, rotation=90)
+ return axis
+
+
+def violin_usage_vertical(
+ usage_table, variable, ylabel,
+ hue="aa", axis=None, **violin_kwargs):
+ """
+ Plot vertically stacked violin plots of codon usage biases.
+
+ *variable* should be either "codon" or "aa".
+ """
+ if hue in {"aa", "codon"}:
+ dodge = False
+ nb_violins = 1
+ else:
+ dodge = True
+ # dodge = True implies there will be one violin
+ # per possible value of *hue*, side by side
+ nb_violins = len(usage_table.index.get_level_values(hue).unique())
+ long_form = to_long_form(usage_table, ylabel, others=[hue])
+ if axis is None:
+ if variable == "codon":
+ base_height = 44
+ elif variable == "aa":
+ base_height = 18
+ else:
+ raise NotImplementedError(f"Unsupported variable: {variable}.")
+ _, axis = plt.subplots(figsize=(6, base_height * nb_violins))
+ if hue == "aa":
+ palette = aa2colour
+ else:
+ palette = None
+ kwargs = {
+ "y": variable, "x": ylabel,
+ "order": variable2order(variable),
+ "hue": hue, "palette": palette, "dodge": dodge,
+ "data": long_form, "ax": axis, "orient": "h", "scale": "count"}
+ kwargs.update(violin_kwargs)
+ axis = sns.violinplot(**kwargs)
+ if variable == "codon":
+ ticklabels = format_codon_labels(axis.get_yticklabels())
+ axis.set_yticklabels(ticklabels)
+ return axis
+
+
+def violin_usage_by_clusters(usage_with_clusters, aa, # pylint: disable=C0103
+ ylabel_template,
+ cluster_level_template="cluster_{aa}",
+ vertical=False, **violin_kwargs):
+ """
+ Plot a series of violin plots for each cluster of genes.
+
+ The clusters are defined in usage table *usage_with_clusters*
+ based on usage biases for the codons coding for amino-acid *aa*.
+
+ *usage_with_clusters* should have clustering indications as
+ an index level named according to *cluster_level_template*
+ (default "cluster_{aa}"), where {aa} is to be replaced by *aa*.
+ """
+ clusters = usage_with_clusters.groupby(
+ level=cluster_level_template.format(aa=aa))
+ # To adjust figure size
+ if "hue" in violin_kwargs and violin_kwargs["hue"] not in {"aa", "codon"}:
+ # dodge will be set to True in later plotting call.
+ # This implies that there will be one violin
+ # per possible value of *hue*, side by side
+ nb_violins = len(usage_with_clusters.index.get_level_values(
+ violin_kwargs["hue"]).unique())
+ else:
+ nb_violins = 1
+ if vertical:
+ fig, axes = plt.subplots(
+ ncols=clusters.ngroups,
+ constrained_layout=True,
+ figsize=(6 * clusters.ngroups, 44 * nb_violins))
+ else:
+ fig, axes = plt.subplots(
+ nrows=clusters.ngroups,
+ constrained_layout=True,
+ figsize=(18 * nb_violins, 6 * clusters.ngroups))
+ for ((cluster, usage_table), axis) in zip(clusters, axes):
+ kwargs = {"axis": axis}
+ kwargs.update(violin_kwargs)
+ if vertical:
+ violin_usage_vertical(
+ usage_table, "codon",
+ ylabel_template.format(aa=aa, cluster=cluster),
+ **kwargs)
+ else:
+ violin_usage(
+ usage_table, "codon",
+ ylabel_template.format(aa=aa, cluster=cluster),
+ **kwargs)
+ return fig
+
+
+def violin_usage_by_clusters_splitby(
+ usage_with_clusters, aa, # pylint: disable=C0103
+ ylabel_template,
+ cluster_level_template="cluster_{aa}",
+ vertical=False, by_lvl="chrom",
+ **violin_kwargs):
+ """
+ Plot a series of violin plots for each cluster of genes,
+ splitting the figures according to groups defined by the
+ content of the index level *by_lvl* of *usage_with_clusters*.
+
+ The clusters are defined in usage table *usage_with_clusters*
+ based on usage biases for the codons coding for amino-acid *aa*.
+
+ *usage_with_clusters* should have clustering indications as
+ an index level named according to *cluster_level_template*
+ (default "cluster_{aa}"), where {aa} is to be replaced by *aa*.
+ """
+ classes = sorted(set(
+ usage_with_clusters.index.get_level_values(by_lvl)))
+ idx_level = usage_with_clusters.index.names.index(by_lvl)
+ for clss in classes:
+ fig = violin_usage_by_clusters(
+ usage_with_clusters.loc[
+ (*(slice(None) for _ in range(idx_level)), clss), ],
+ aa, ylabel_template + f" for {clss}",
+ cluster_level_template=cluster_level_template,
+ vertical=vertical, **violin_kwargs)
+ fig.suptitle(f"Violin plots for {clss}")
+
+
+# Based on
+# https://matplotlib.org/stable/gallery/statistics/customized_violin.html
+def adjacent_values(q0, q1, q3, q4): # pylint: disable=C0103
+ """
+ Define whiskers positions using the 1.5 * IQR criterion.
+
+ Use the values of quartiles *q0* (min), *q1*, *q3* and *q4* (max).
+ """
+ upper_adjacent_value = q3 + (q3 - q1) * 1.5
+ upper_adjacent_value = np.clip(upper_adjacent_value, q3, q4)
+ lower_adjacent_value = q1 - (q3 - q1) * 1.5
+ lower_adjacent_value = np.clip(lower_adjacent_value, q0, q1)
+ return (lower_adjacent_value, upper_adjacent_value)
+
+
+def violin_with_thresh(data, thresh, ylabel,
+ facecolor="grey", axis=None, **violin_kwargs):
+ """
+ Draw a violin plot from *data* with a horizontal line at value *thresh*.
+
+ If *thresh* is a single value, the line will be red.
+ If *thresh* contains pairs, it will be assumed that these
+ are (threshold, colour) pairs, to be used to plot various lines.
+ Y-axis will be labeled using *ylabel*.
+ """
+ if axis is None:
+ _, axis = plt.subplots(figsize=(2, 3.5))
+ kwargs = {"showextrema": False}
+ kwargs.update(violin_kwargs)
+ violin_parts = axis.violinplot(data, **kwargs)
+ # https://stackoverflow.com/a/26291582/1878788
+ [body] = violin_parts["bodies"]
+ body.set_facecolor(facecolor)
+ body.set_edgecolor("black")
+ try:
+ (val, col) = thresh[0]
+ except TypeError:
+ thresh = [(thresh, "red")]
+ for (val, col) in thresh:
+ axis.axhline(val, color=col)
+ axis.text(
+ 1.01, val, f"{val:.3}",
+ horizontalalignment="left", verticalalignment="bottom")
+ (q0, q1, median, q3, q4) = np.percentile( # pylint: disable=C0103
+ data, [0, 25, 50, 75, 100])
+ (w_min, w_max) = adjacent_values(q0, q1, q3, q4)
+ axis.scatter(1, median, marker="o", s=30, color="white", zorder=3)
+ axis.vlines(1, q1, q3, linestyle="-", linewidth=5, color="black")
+ axis.vlines(1, w_min, w_max, linestyle="-", linewidth=1, color="black")
+ axis.set_xticks([])
+ axis.set_ylabel(ylabel)
+ return axis
+
+
+if __name__ == "__main__":
+ import doctest
+ doctest.testmod()
diff --git a/libcodonusage/libcodonusage.py b/libcodonusage/libcodonusage.py
index 3cbb666..603a8bd 100644
--- a/libcodonusage/libcodonusage.py
+++ b/libcodonusage/libcodonusage.py
@@ -463,15 +463,25 @@ def sum_codon_counts(row, codons):
return sum
-def group_codons_by_sum(codon_counts, class_name, dict_classes, filter):
-
+def group_codons_by_sum(codon_counts, group_name, dict_classes, filter):
+ """
+ Group codons by sum given specific classes in *codon_counts* table.
+
+ *group_name* contains the name of the grouping, and plays the role of aa names in the original
+ codon counts table.
+ *dict_classes* contains the different classes under this grouping as keys and the associated
+ list of codons as values.
+ *filter* is a boolean set to True if you want to filter out other codons than the ones specified in
+ dict_classes. If set to False, the original codon_counts table is returned with additionnal columns for
+ the grouped_classes.
+ """
list_classes = list(dict_classes.items())
list_classes_names = []
for key, value in dict_classes.items():
- codon_counts[class_name, key] = codon_counts.apply(lambda row: sum_codon_counts(row, value), axis=1)
+ codon_counts[group_name, key] = codon_counts.apply(lambda row: sum_codon_counts(row, value), axis=1)
list_classes_names.append(key)
if filter:
- return codon_counts.loc[:, ([class_name], list_classes_names)]
+ return codon_counts.loc[:, ([group_name], list_classes_names)]
else:
return codon_counts
--
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