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#!/usr/bin/env python3
"""
Copyright 2018 Kat Holt
Copyright 2018 Ryan Wick (rrwick@gmail.com)
https://github.com/katholt/Kleborate/
This file is part of Kleborate. Kleborate 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. Kleborate 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 Kleborate. If
not, see <http://www.gnu.org/licenses/>.
"""
import sys
import argparse
import collections
import pandas as pd
from Bio import Phylo
def get_arguments():
parser = argparse.ArgumentParser(description='A script for converting Kleborate output into a'
'format compatible with Microreact')
required_args = parser.add_argument_group('Required arguments')
required_args.add_argument('--kleborate_in', type=str, required=True,
help='Kleborate tab-delimited results file')
required_args.add_argument('--tree_in', type=str, required=True,
help='Phylogenetic tree')
required_args.add_argument('--csv_out', type=str, required=True,
help='Kleborate results in Microreact format')
required_args.add_argument('--tree_out', type=str, required=True,
help='Tree in Microreact format')
return parser.parse_args()
def main():
args = get_arguments()
name_subs = name_substitution(args.kleborate_in)
check_for_unique_names(name_subs)
save_tree_with_new_names(args.tree_in, args.tree_out, name_subs)
autocolour_columns = get_autocolour_columns(args.kleborate_in)
csv_lines = []
with open(args.kleborate_in, 'rt') as kleborate_results:
original_header, new_header = None, None
for line in kleborate_results:
line = line.rstrip('\n')
if original_header is None:
original_header = line.split('\t')
new_header = get_new_header(original_header, autocolour_columns)
line_parts = new_header
else:
line_parts = get_data(line, name_subs, original_header, new_header)
csv_lines.append((','.join(line_parts)))
print()
print('Writing Microreact table to: {}'.format(args.csv_out))
with open(args.csv_out, 'wt') as output_csv:
for line in csv_lines:
output_csv.write(line)
output_csv.write('\n')
print()
def get_autocolour_columns(kleborate_in):
autocolour_columns = []
table = pd.read_table(kleborate_in)
for col_name in ['species', 'ST', 'YbST', 'CbST', 'AbST', 'SmST', 'wzi', 'K_locus',
'O_locus']:
try:
if len(set(table[col_name])) > 1:
autocolour_columns.append(col_name)
except KeyError:
pass
print()
print('Using "__autocolour" on the following columns:')
print(' ', ', '.join(autocolour_columns))
return set(autocolour_columns)
def get_new_header(original_header, autocolour_columns):
original_header[0] = 'id' # Change 'strain' to 'id' for Microreact.
for autocolour_column in autocolour_columns:
i = find_column_index(original_header, autocolour_column)
original_header[i] = autocolour_column + '__autocolour'
header = list(original_header)
for col in ['virulence_score', 'resistance_score', 'num_resistance_classes',
'num_resistance_genes', 'Yersiniabactin', 'Colibactin', 'Aerobactin',
'Salmochelin', 'rmpA', 'rmpA2']:
header.insert(find_column_index(header, col) + 1, col + '__colour')
for res in ['AGly_acquired', 'Col_acquired', 'Fcyn_acquired', 'Flq_acquired', 'Gly_acquired', 'MLS_acquired', 'Phe_acquired', 'Rif_acquired', 'Sul_acquired', 'Tet_acquired',
'Tgc_acquired', 'Tmt_acquired', 'Bla_acquired', 'Bla_inhR_acquired', 'Bla_ESBL_acquired', 'Bla_ESBL_inhR_acquired', 'Bla_Carb_acquired', 'Bla_chr', 'SHV_mutations',
'Col_mutations', 'Flq_mutations', 'Omp_mutations']:
header.insert(find_column_index(header, res) + 1, res + '__colour')
header.remove(res)
return header
def get_data(line, name_subs, original_header, new_header):
line = line.replace(',', ';')
line_parts = line.split('\t')
line_parts[0] = name_subs[line_parts[0]]
original_data = dict(zip(original_header, line_parts))
new_data = {h: '' for h in new_header}
for label, value in original_data.items():
new_data[label] = value
vir_score = int(original_data['virulence_score'])
res_score = int(original_data['resistance_score'])
res_classes = int(original_data['num_resistance_classes'])
res_genes = int(original_data['num_resistance_genes'])
new_data['virulence_score__colour'] = get_vir_score_colour(vir_score)
new_data['resistance_score__colour'] = get_res_score_colour(res_score)
new_data['num_resistance_classes__colour'] = get_res_classes_colour(res_classes)
new_data['num_resistance_genes__colour'] = get_res_genes_colour(res_genes)
# new_data['Yersiniabactin__colour'] = get_vir_lineage_colour(original_data['Yersiniabactin'])
new_data['Colibactin__colour'] = get_vir_lineage_colour(original_data['Colibactin'])
new_data['Aerobactin__colour'] = get_vir_lineage_colour(original_data['Aerobactin'])
new_data['Salmochelin__colour'] = get_vir_lineage_colour(original_data['Salmochelin'])
new_data['rmpA__colour'] = get_rmpA_colour(original_data['rmpA'])
new_data['rmpA2__colour'] = get_rmpA2_colour(original_data['rmpA2'])
for res_class in ['AGly_acquired', 'Col_acquired', 'Fcyn_acquired', 'Flq_acquired', 'Gly_acquired', 'MLS_acquired', 'Phe_acquired', 'Rif_acquired', 'Sul_acquired', 'Tet_acquired',
'Tgc_acquired', 'Tmt_acquired', 'Bla_acquired', 'Bla_inhR_acquired', 'Bla_ESBL_acquired', 'Bla_ESBL_inhR_acquired', 'Bla_Carb_acquired', 'Bla_chr', 'SHV_mutations',
'Col_mutations', 'Flq_mutations', 'Omp_mutations']:
new_data[res_class + '__colour'] = get_res_class_colour(original_data[res_class])
return [new_data[h] for h in new_header]
def name_substitution(kleborate_in):
name_subs = {}
with open(kleborate_in, 'rt') as kleborate_results:
header = None
for line in kleborate_results:
if header is None:
header = line.split('\t')
if header[0] != 'strain':
sys.exit('Error: first column is not "strain" - is this Kleborate output?')
else:
line_parts = line.split('\t')
if len(line_parts) != len(header):
sys.exit('Error: inconsistent number of columns')
old_name = line_parts[0]
if old_name in name_subs:
sys.exit('Error: duplicate sample ID: ' + old_name)
new_name = old_name.replace('.', '_')
new_name = new_name.replace(',', '_')
new_name = new_name.replace("'", '_')
new_name = new_name.replace('"', '_')
name_subs[old_name] = new_name
return name_subs
def check_for_unique_names(name_subs):
names = list(name_subs.values())
duplicate_names = [item for item, count in collections.Counter(names).items() if count > 1]
if duplicate_names:
sys.exit('Error: duplicate sample IDs: ' + ', '.join(duplicate_names))
def save_tree_with_new_names(tree_in, tree_out, name_subs):
print()
print('Writing Microreact tree to: {}'.format(tree_out))
tree_format = None
for try_tree_format in ['newick', 'nexus', 'nexml', 'phyloxml', 'cdao']:
try:
Phylo.read(tree_in, try_tree_format)
tree_format = try_tree_format
break
except ValueError:
pass
if tree_format is None:
sys.exit('Error: could not read input tree')
tree = Phylo.read(tree_in, tree_format)
for node in tree.get_terminals():
name = str(node.name)
try:
node.name = name_subs[name]
except IndexError:
sys.exit('Error: sample name in tree not in Kleborate data: ' + name)
Phylo.write(tree, tree_out, 'newick')
def scale_num(start, end, progress):
return int(round(start * (1.0 - progress) + end * progress))
def colour_range(start, end, count):
start, end = start.lower(), end.lower()
if start.startswith('#'):
start = start[1:]
if end.startswith('#'):
end = end[1:]
start_r, start_g, start_b = int(start[0:2], 16), int(start[2:4], 16), int(start[4:6], 16)
end_r, end_g, end_b = int(end[0:2], 16), int(end[2:4], 16), int(end[4:6], 16)
colours = []
for i in range(count):
progress = i / (count - 1)
r, g, b = scale_num(start_r, end_r, progress), scale_num(start_g, end_g, progress), \
scale_num(start_b, end_b, progress)
hex_colour = '"#' + ('0x%X' % r)[2:] + ('0x%X' % g)[2:] + ('0x%X' % b)[2:] + '"'
colours.append(hex_colour)
return colours
def find_column_index(header, col_name):
try:
return header.index(col_name)
except ValueError:
sys.exit('Error: could not find ' + col_name + ' column in Kleborate')
def get_vir_score_colour(vir_score):
try:
return ['#DEEBF7', '#9ECAE1', '#6BAED6', '#4292C6', '#2171B5', '#08306B'][vir_score]
except IndexError:
return '#BFBFBF'
def get_res_score_colour(res_score):
try:
return ['#FCBBA1', '#FC9272', '#FB6A4A', '#BE413D'][res_score]
except IndexError:
return '#BFBFBF'
def get_res_classes_colour(res_classes):
try:
return colour_range('#FCBBA1', '#BE413D', 11)[res_classes]
except IndexError:
return '#BE413D'
def get_res_genes_colour(res_genes):
try:
return colour_range('#FCBBA1', '#BE413D', 21)[res_genes]
except IndexError:
return '#BE413D'
def get_species_colour(species):
try:
return {'Klebsiella pneumoniae': '#875F9A',
'Klebsiella variicola subsp. variicola': '#8CBDB2',
'Klebsiella quasivariicola': '#F0B663',
'Klebsiella quasipneumoniae subsp. quasipneumoniae': '#ED6060',
'Klebsiella quasipneumoniae subsp. similipneumoniae': '#EDA483'}[species]
except IndexError:
return '#BFBFBF'
def get_vir_lineage_colour(vir_lineage):
vir_lineage_colours = {'ybt 1': '#B27F91', 'ybt 2': '#CDA12C', 'ybt 3': '#56A354',
'ybt 4': '#F28FA2', 'ybt 5': '#DB7723', 'ybt 6': '#93539D',
'ybt 7': '#3A85A8', 'ybt 8': '#7B75CC', 'ybt 9': '#D9C5EF',
'ybt 10': '#449D72', 'ybt 11': '#EBD930', 'ybt 12': '#6AA3C6',
'ybt 13': '#A39F93', 'ybt 14': '#93539D', 'ybt 15': '#EDC59A',
'ybt 16': '#840639', 'ybt 17': '#E25065', 'clb 1': '#99BBE0',
'clb 2A': '#5972AF', 'clb 2B': '#242F69', 'clb 3': '#242F69',
'iro 1': '#B6D5EF', 'iro 2': '#DEC4E8', 'iro 3': '#E29771',
'iro 4': '#A4A4EA', 'iro 5': '#E0AAAA', 'iuc 1': '#B6D5EF',
'iuc 2': '#DEC4E8', 'iuc 2A': '#D8ABDD', 'iuc 3': '#C3EADB',
'iuc 4': '#9ACCBC', 'iuc 5': '#E0AAAA'}
vir_lineage = vir_lineage.split(';')[0]
if vir_lineage in vir_lineage_colours:
return vir_lineage_colours[vir_lineage]
elif vir_lineage == '-':
return '#FFFFFF'
else:
return '#BFBFBF'
def get_rmpA_colour(rmpA):
return '#FFFFFF' if rmpA == '-' else '#08306B'
def get_rmpA2_colour(rmpA2):
return '#FFFFFF' if rmpA2 == '-' else '#08306B'
def get_res_class_colour(res_class):
return '#FFFFFF' if res_class == '-' else '#BE413D'
if __name__ == '__main__':
main()
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