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imgqfinder.py
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imgqfinder.py
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import sys, os
import pandas as pd
from tqdm import tqdm
from Bio import SeqIO
import argparse
from multiprocessing import Pool
import pickle
import numpy as np
class QuadruplexFinder(object):
def __init__(self, fasta_file, output_path = '',
GC='G', L=7, q=4, nquadruplets=4, mdef=1, tetdef=1, len_bulge=1, max_bulge = 1,
bulge_priority=False, repeats=False, verbose=False, nthreads=1):
# parse arg
self.fasta_file = fasta_file
self.output_path = output_path
self.GC = GC
self.L = L
self.q = q
self.nquadruplets = nquadruplets
self.mdef = mdef
self.tetdef = tetdef
self.repeats = repeats
self.verbose = verbose
self.len_bulge = len_bulge
self.max_bulge = max_bulge
self.bulge_priority = bulge_priority
self.nthreads = nthreads
def load_fasta(self):
sequences = []
for record in SeqIO.parse(self.fasta_file, "fasta"):
sequences.append((record.seq, record.id))
return sequences
def find_quadruplets_without_bulges(self, fasta):
quadruplets = []
stack = [self.QuadrupletDetector(nuc) for nuc in fasta[:self.q]]
current_state = sum(stack)
if current_state >= self.q - self.tetdef:
quadruplets.append((0, self.q - current_state, self.q))
for i in tqdm(range(self.q, len(fasta)), desc='Qadrupleting', disable = self.verbose):
stack.append(self.QuadrupletDetector(fasta[i]))
current_state = current_state + stack[-1] - stack.pop(0)
if current_state >= self.q - self.tetdef:
quadruplets.append((i-self.q+1, self.q - current_state, self.q))
return quadruplets
def QuadrupletDetector(self, quadr):
if self.repeats:
quadr = quadr.upper()
return 1 if quadr == self.GC.upper() else 0
def find_quadruplets_wrapper(self, data):
return self.find_quadruplets(**data)
def find_quadruplets(self, fasta, shift=0, tqdm_keep_silence=None):
'''
bulge_stack - a set of numbers - amounts how many non-G nucleotides was before + 1
'''
tqdm_keep_silence = self.verbose if tqdm_keep_silence is None else tqdm_keep_silence
quadruplets = []
quadruplets_sequences = []
open_bulge = 0
bulge_stack = []
sequence_stack = ''
bulge_current_state = 0
bulge_current_num_state = 0
bulge_num_state = 0
n_bulges = 0
def add_bulge(nuc):
nonlocal open_bulge, bulge_current_num_state, bulge_current_state, bulge_num_state, bulge_stack, n_bulges
if self.QuadrupletDetector(nuc):
bulge_stack.append(open_bulge+1)
if len(bulge_stack) == 1:
bulge_stack[0] = 1
open_bulge = 0
if bulge_current_num_state < self.q:
bulge_current_num_state += 1
bulge_current_state += bulge_stack[-1]
if bulge_stack[-1] != 1:
n_bulges += 1
else:
bulge_num_state += 1
else:
open_bulge += 1
def remove_bulge(nuc):
nonlocal bulge_num_state, bulge_current_state, bulge_current_num_state, bulge_stack, n_bulges
if self.QuadrupletDetector(nuc):
if bulge_num_state > 0:
bulge_current_state += bulge_stack[bulge_current_num_state]
bulge_num_state -= 1
if bulge_stack[bulge_current_num_state] != 1:
n_bulges += 1
else:
bulge_current_num_state -= 1
bulge_current_state -= bulge_stack.pop(0)
if len(bulge_stack) > 0:
pop = bulge_stack.pop(0)
if pop != 1:
n_bulges -= 1
bulge_current_state -= pop - 1
bulge_stack.insert(0, 1)
for i, nuc in enumerate(fasta[:(self.q+self.len_bulge)]):
add_bulge(nuc)
sequence_stack = sequence_stack+nuc
if ((bulge_current_num_state == self.q) & (n_bulges <= self.max_bulge) &
(self.QuadrupletDetector(fasta[0])) & (self.QuadrupletDetector(fasta[bulge_current_state-1]))):
quadruplets.append((0+shift, n_bulges, bulge_current_state))
quadruplets_sequences.append(sequence_stack[:bulge_current_state])
stack = [self.QuadrupletDetector(nuc) for nuc in fasta[:self.q]]
current_state = sum(stack)
if ((current_state >= self.q - self.tetdef) & (current_state < self.q) &
(self.QuadrupletDetector(fasta[0])) & (self.QuadrupletDetector(fasta[self.q-1]))):
quadruplets.append((0+shift, self.q - current_state, self.q))
quadruplets_sequences.append(sequence_stack[:self.q])
for i in tqdm(range(self.q, len(fasta)), desc='Quadrupleting', disable = tqdm_keep_silence):
remove_bulge(fasta[i-self.q])
i_bulge = i + self.len_bulge
if i_bulge < len(fasta):
add_bulge(fasta[i_bulge])
sequence_stack = sequence_stack+fasta[i_bulge]
stack.append(self.QuadrupletDetector(fasta[i]))
current_state = current_state + stack[-1] - stack.pop(0)
sequence_stack = sequence_stack[1:]
if self.QuadrupletDetector(fasta[i-self.q+1]):
if ((bulge_current_num_state == self.q) & (n_bulges <= self.max_bulge) &
(self.QuadrupletDetector(fasta[i-self.q+bulge_current_state]))):
quadruplets.append((i-self.q+1+shift, n_bulges, bulge_current_state))
quadruplets_sequences.append(sequence_stack[:bulge_current_state])
if ((current_state >= self.q - self.tetdef) & (current_state < self.q) &
(self.QuadrupletDetector(fasta[i]))):
quadruplets.append((i-self.q+1+shift, self.q - current_state, self.q))
quadruplets_sequences.append(sequence_stack[:self.q])
return quadruplets, quadruplets_sequences
def find_quadruplets_in_parallel(self, fasta):
pool = Pool(processes=self.nthreads)
minimal_chunk_length = self.q + self.len_bulge
base_chunk_length = len(fasta) // self.nthreads
if base_chunk_length < minimal_chunk_length:
base_chunk_length = minimal_chunk_length
fasta_chunks_starts = list(range(0, len(fasta), base_chunk_length))
if len(fasta) % base_chunk_length != 0:
fasta_chunks_starts = fasta_chunks_starts[:-1]
fasta_chunks_ends = fasta_chunks_starts[1:] + [len(fasta)-minimal_chunk_length]
quadruplets_list = pool.map(self.find_quadruplets_wrapper, ({'fasta':fasta[start:(end+minimal_chunk_length)],
'shift':start,
'tqdm_keep_silence':None if silence_ind==len(fasta_chunks_starts)-1 else True}
for silence_ind, (start, end) in enumerate(zip(fasta_chunks_starts, fasta_chunks_ends))))
pool.close()
pool.join()
quadruplets = []
quadruplets_sequences = []
quadruplets_list_ = []
quadruplets_seq_list_ = []
for quad, quad_seq in quadruplets_list:
if len(quad) != 0:
quadruplets_list_.append(quad)
quadruplets_seq_list_.append(quad_seq)
del quadruplets_list
for quadruplet_now, quadruplet_next, quadruplet_seq_now, quadruplet_seq_next in zip(
quadruplets_list_[:-1], quadruplets_list_[1:],
quadruplets_seq_list_[:-1], quadruplets_seq_list_[1:]):
first_next_quad = quadruplet_next[0]
num_quad_now = -1
while (first_next_quad == quadruplet_now[num_quad_now]) or (first_next_quad[0] <= quadruplet_now[num_quad_now][0]):
num_quad_now -= 1
num_quad_now += 1
if num_quad_now != 0:
quadruplet_now = quadruplet_now[:num_quad_now]
quadruplet_seq_now = quadruplet_seq_now[:num_quad_now]
quadruplets.extend(quadruplet_now)
quadruplets_sequences.extend(quadruplet_seq_now)
quadruplets_sequences.extend(quadruplet_seq_next)
quadruplets.extend(quadruplet_next)
del quadruplets_list_
del quadruplets_seq_list_
return quadruplets, quadruplets_sequences
def find_quadruplexes_wrapper(self, data):
return self.find_quadruplexes(**data)
def find_quadruplexes(self, quadruplets, tqdm_keep_silence=None):
'''
quadruplex: [[Q1-Start, Q1-Defects, Q1-Length]]*self.nquadruplets
'''
tqdm_keep_silence = self.verbose if tqdm_keep_silence is None else tqdm_keep_silence
total_wrongs = 0 #number of the quadruplets with defect
wrongNum = 0
def check_conditions():
nonlocal total_wrongs, wrongNum
if i == 0:
total_wrongs = 0
wrongNum = 0
elif (quadruplets[k][0] - quadruplets[quadruplex_set[i-1]][0] <= quadruplets[quadruplex_set[i-1]][2]):
return 'too close'
elif (quadruplets[k][0] - (quadruplets[quadruplex_set[i-1]][0] + quadruplets[quadruplex_set[i-1]][2]) > self.L):
return 'too far'
if quadruplets[k][1] != 0:
wrongNum = i+1
total_wrongs += 1
if total_wrongs > self.mdef:
total_wrongs -= 1
return False
else:
return True
def revert_wrongs():
nonlocal total_wrongs, wrongNum
if (i >= 0):
if (quadruplets[quadruplex_set[i]][1] != 0):
total_wrongs -= 1
if wrongNum == i+1:
for j in range(i):
if quadruplets[quadruplex_set[j]][1] != 0:
wrongNum == j+1
break
if wrongNum == i+1:
wrongNum = 0
quadruplexes = []
quadruplex_set = list(range(-1, self.nquadruplets))
i = 0
k = quadruplex_set[i]
with tqdm(desc='Qadruplexing', total=len(quadruplets), disable = tqdm_keep_silence) as pbar:
while i >= 0:
k = quadruplex_set[i]+1
if i == 0:
pbar.update(1)
if i == self.nquadruplets:
quadruplex = tuple([quadruplets[qu] for qu in quadruplex_set[:-1]] + [total_wrongs])
quadruplexes.append(list(quadruplex))
i -= 1
revert_wrongs()
elif k >= len(quadruplets) - self.nquadruplets + 1 + i:
i -= 1
revert_wrongs()
else:
status = check_conditions()
if status == True:
quadruplex_set[i] = k
i += 1
quadruplex_set[i] = quadruplex_set[i-1]
elif status == 'too far':
i -= 1
revert_wrongs()
else:
quadruplex_set[i] = k
pbar.update(len(quadruplets) - pbar.n)
return quadruplexes
def group_quadruplexes(self, quadruplexes):
groups = []
q1 = 0
q2 = 1
with tqdm(desc='Grouping', total=len(quadruplexes)-1, disable = self.verbose) as pbar:
while q1 < len(quadruplexes)-1:
while q2 < len(quadruplexes):
pbar.update(1)
tetrads_lehgth_q1 = sum([quadruplexes[q1][i][2]+quadruplexes[q1][i][1] for i in range(self.nquadruplets)])
tetrads_lehgth_q2 = sum([quadruplexes[q2][i][2]+quadruplexes[q2][i][1] for i in range(self.nquadruplets)])
general_length_q1 = quadruplexes[q1][self.nquadruplets - 1][0] + quadruplexes[q1][self.nquadruplets - 1][2] - 1 - quadruplexes[q1][0][0]
general_length_q2 = quadruplexes[q2][self.nquadruplets - 1][0] + quadruplexes[q2][self.nquadruplets - 1][2] - 1 - quadruplexes[q2][0][0]
if (quadruplexes[q2][0][0] > quadruplexes[q1][self.nquadruplets - 1][0] + quadruplexes[q1][self.nquadruplets - 1][2] - 1):
groups.append(quadruplexes[q1])
q1 = q2
if (q2 == len(quadruplexes)-1):
groups.append(quadruplexes[q2])
q1 = len(quadruplexes)
elif ((tetrads_lehgth_q2 < tetrads_lehgth_q1) & (not self.bulge_priority) or
(tetrads_lehgth_q2 >= tetrads_lehgth_q1) & (self.bulge_priority) or
(general_length_q2 < general_length_q1) & (not self.bulge_priority) or
(general_length_q2 < general_length_q1) & (self.bulge_priority)):
q1 = q2
if (q2 == len(quadruplexes)-1):
groups.append(quadruplexes[q2])
q1 = len(quadruplexes)
elif (q2 == len(quadruplexes)-1):
groups.append(quadruplexes[q1])
q1 = len(quadruplexes)
q2 += 1
return groups
def find_quadruplexes_in_parallel(self, quadruplets):
pool = Pool(processes=self.nthreads)
minimal_chunk_length = (self.q + self.len_bulge + self.L)*(self.nquadruplets)-self.L
if len(quadruplets) > self.nthreads:
base_chunk_length = len(quadruplets) // self.nthreads
else:
base_chunk_length = 1
quadruplets_chunks_starts = list(range(0, len(quadruplets), base_chunk_length))
if len(quadruplets) % base_chunk_length != 0:
quadruplets_chunks_starts = quadruplets_chunks_starts[:-1]
quadruplets_chunks_ends = []
for start_tmp in quadruplets_chunks_starts[1:]:
end_ind = start_tmp
end_val = quadruplets[start_tmp][0]
tmp_end_val = quadruplets[end_ind][0]
while (end_ind < len(quadruplets)) and (tmp_end_val - end_val <= minimal_chunk_length):
end_ind += 1
tmp_end_val = quadruplets[end_ind][0]
quadruplets_chunks_ends.append(end_ind-1)
quadruplets_chunks_ends.append(len(quadruplets))
quadruplexes_list = pool.map(self.find_quadruplexes_wrapper, ({'quadruplets':quadruplets[start:end],
'tqdm_keep_silence':None if silence_ind==len(quadruplets_chunks_starts)-1 else True}
for silence_ind, (start, end) in enumerate(zip(quadruplets_chunks_starts, quadruplets_chunks_ends))))
pool.close()
pool.join()
quadruplexes_list_ = []
for quad in quadruplexes_list:
if len(quad) != 0:
quadruplexes_list_.append(quad)
del quadruplexes_list
quadruplexes = []
for quadruplex_now, quadruplex_next in zip(quadruplexes_list_[:-1], quadruplexes_list_[1:]):
first_next_quad = quadruplex_next[0]
num_quad_now = -1
while first_next_quad[0][0] <= quadruplex_now[num_quad_now][0][0]:
if (first_next_quad == quadruplex_now[num_quad_now]) or (first_next_quad[0][0] <= quadruplex_now[num_quad_now][0][0]):
num_quad_now -= 1
num_quad_now += 1
if num_quad_now != 0:
quadruplex_now = quadruplex_now[:num_quad_now]
quadruplexes.extend(quadruplex_now)
try:
quadruplexes.extend(quadruplex_next)
except:
pass
del quadruplexes_list_
return quadruplexes
def group_to_ranges(self, groups, fasta_id):
ranges = []
for group in tqdm(groups, desc='Converting to ranges', disable = self.verbose):
start = group[0][0]
end = group[self.nquadruplets-1][0]+group[self.nquadruplets-1][2]-1
ranges.append((fasta_id, start, end))
return ranges
def prepare_quadruplets_toprint(self, quadruplets, quadruplets_sequences, tqdm_keep_silence=None):
tqdm_keep_silence = self.verbose if tqdm_keep_silence is None else tqdm_keep_silence
quadruplets_toprint = []
for quad, seq in tqdm(list(zip(quadruplets, quadruplets_sequences)),
desc='Postprocessing quadruplets', disable=tqdm_keep_silence):
quad = list(quad)
quad.append(seq)
quadruplets_toprint.append(quad)
return quadruplets_toprint
def prepare_quadruplexes_toprint(self, quadruplexes, fasta_di, tqdm_keep_silence=None):
tqdm_keep_silence = self.verbose if tqdm_keep_silence is None else tqdm_keep_silence
quadruplexes_toprint = []
[(shift, fasta)] = fasta_di.items()
for quadruplex in tqdm(quadruplexes, desc='Postprocessing quadruplexes', disable=tqdm_keep_silence):
seq = ''
quadruplex_toprint = []
for qu1, qu2 in zip(quadruplex[:-2], quadruplex[1:-1]):
seq = seq + fasta[(qu1[0]-shift):(qu1[0]+qu1[2]-shift)].upper()+\
fasta[(qu1[0]+qu1[2]-shift):(qu2[0]-shift)].lower()
quadruplex_toprint.extend(list(qu1))
quadruplex_toprint.extend(list(qu2))
quadruplex_toprint.append(quadruplex[-1])
seq = seq+fasta[(qu2[0]-shift):(qu2[0]+qu2[2]-shift)].upper()
quadruplex_toprint.append(seq)
quadruplexes_toprint.append(tuple(quadruplex_toprint))
return quadruplexes_toprint
def prepare_groups_toprint(self, groups, fasta, tqdm_keep_silence=None):
tqdm_keep_silence = self.verbose if tqdm_keep_silence is None else tqdm_keep_silence
groups_toprint = []
for group in tqdm(groups, desc='Postprocessing groups', disable=tqdm_keep_silence):
seq = ''
group_toprint = []
for qu1, qu2 in zip(group[:-2], group[1:-1]):
seq = seq + fasta[qu1[0]:(qu1[0]+qu1[2])].upper()+fasta[(qu1[0]+qu1[2]):qu2[0]].lower()
group_toprint.extend(qu1)
group_toprint.extend(qu2)
group_toprint.append(group[-1])
seq = seq+fasta[qu2[0]:(qu2[0]+qu2[2])].upper()
group_toprint.append(seq)
groups_toprint.append(tuple(group_toprint))
return groups_toprint
def split_args_for_prepare_quadruplexes_toprint(self, quadruplexes, fasta, n):
quad_len = len(quadruplexes) // n
minimal_chunk_length = (self.q + self.len_bulge + self.L)*(self.nquadruplets)
parts = list(range(0, len(quadruplexes), quad_len))[1:]
if len(quadruplexes) % n != 0:
parts = parts[:-1]
quadruplexes_parts = [quadruplexes[start:end] for start, end in zip(
[0]+parts, parts+[len(quadruplexes)])]
fasta_parts_coordinates = [(quadruplex_set[0][0][0], quadruplex_set[-1][-2][0]+minimal_chunk_length)
for quadruplex_set in quadruplexes_parts]
fasta_parts = [{start:fasta[start:end]} for start, end in fasta_parts_coordinates]
show_status = [True]*(len(quadruplexes_parts)-1)+[None]
return list(zip(quadruplexes_parts, fasta_parts, show_status))
def postprocess_wrapper(self, kwargs):
'''
args: {'args': args, 'func':function}
'''
return kwargs['func'](*kwargs['args'])
def save_tables(self, df, columns, fasta_id, which_table):
n = len(columns)
with open('{}/{}_{}'.format(self.output_path, fasta_id, which_table), 'w') as f:
if n == 4:
f.write('{}\t{}\t{}\t{}\n'.format(columns[0], columns[1], columns[2], columns[3]))
for row in df:
f.write('{}\t{}\t{}\t{}\n'.format(row[0], row[1], row[2], row[3]))
elif n == 14:
f.write('{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format(
columns[0], columns[1], columns[2], columns[3],
columns[4], columns[5], columns[6], columns[7],
columns[8], columns[9], columns[10], columns[11],
columns[12], columns[13]))
for row in df:
f.write('{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format(
row[0], row[1], row[2], row[3],
row[4], row[5], row[6], row[7],
row[8], row[9], row[10], row[11],
row[12], row[13]))
elif n==3:
for row in df:
f.write('{}\t{}\t{}\n'.format(row[0], row[1], row[2]))
def save_tables_wrapper(self, args):
return self.save_tables(*args)
def description_file(self):
all_members = self.__dict__.keys()
columns_description = '''\n\nColumns Description
Qudruplets File:
Start: an index of a quadruplet begining
Number of Defects: a total number of the mismatches or a number of bulges
Length: a length of a quadruplet
Sequence: quadruplet sequences if not suppressed
Quadruplex & Group Files:
Qi-Start: an index of a quadruplet begining
Qi-Defects: a total number of the mismatches or a number of bulges
Qi-Length: a length of a quadruplet
Defective: a number of quadruplets with defects (mismatches or bulges)
Sequence: a sequence of a quadruplex with loops if not suppressed, quadruplets are uppercase
Ranges File: bed-format
Fasta ID: fasta id
Start: an index of a quadruplex begining
End: an index of the end of the quadruplex
'''
description_file = 'Parametres\n'+'\n'.join(['\t%s = %s'%(item, self.__dict__[item]) for item in all_members if (not item.startswith("_")) & ('nquadruplets' not in item)]) + columns_description
with open('%s/description.txt'%(self.output_path), 'w') as f:
f.write(description_file)
def run(self, print_sequences=True, output_type = [4]):
print('Loading %s'%self.fasta_file)
sequences = self.load_fasta()
print('This fasta file contains %d sequences.'%len(sequences))
for fasta, fasta_id in sequences:
quadruplets, quadruplets_sequences, quadruplexes, groups, ranges, quadruplets_toprint, quadruplexes_toprint, groups_toprint = [[]]*8
print('Processing %s:'%fasta_id)
if (self.nthreads == 1) or (self.len_bulge == 0) or (self.max_bulge == 0):
quadruplets, quadruplets_sequences = self.find_quadruplets(fasta) if ((self.len_bulge > 0) or (self.max_bulge != 0)) else self.find_quadruplets_without_bulges(fasta)
else:
quadruplets, quadruplets_sequences = self.find_quadruplets_in_parallel(fasta)
if output_type[-1] > 0:
if (self.nthreads == 1):
quadruplexes = self.find_quadruplexes(quadruplets)
else:
quadruplexes = self.find_quadruplexes_in_parallel(quadruplets)
if output_type[-1] > 1:
groups = self.group_quadruplexes(quadruplexes)
if output_type[-1] > 2:
ranges = self.group_to_ranges(groups, fasta_id)
columns_set1 = ['Start', 'Number of Defects', 'Length']
columns_set2 = []
[columns_set2.extend(['Q%d-Start'%i, 'Q%d-Defects'%i, 'Q%d-Length'%i]) for i in range(1, self.nquadruplets+1)]
columns_set2.extend(['Defective'])
if output_type[0] < 3:
k = sum([0 if ind_num in output_type else 1 for ind_num in [0, 2]])
if print_sequences:
if self.nthreads > 1:
pool = Pool(processes=self.nthreads)
args_quadruplexes = []
n = 1
if 1 in output_type:
if self.nthreads - k > 2:
n = self.nthreads
args_quadruplexes = self.split_args_for_prepare_quadruplexes_toprint(quadruplexes, fasta, n)
elif self.nthreads - k > 1:
n = self.nthreads - k
args_quadruplexes = self.split_args_for_prepare_quadruplexes_toprint(quadruplexes, fasta, n)
else:
n = 1
args_quadruplexes = {0:fasta}
args_dict = {0: [(quadruplets, quadruplets_sequences)],
1: args_quadruplexes,
2: [(groups, fasta)]}
func_dict = {0: [self.prepare_quadruplets_toprint],
1: [self.prepare_quadruplexes_toprint]*n,
2: [self.prepare_groups_toprint]}
results_inds_dict = {0: [0],
1: [1]*n,
2: [2]
}
args_all = []
functions = []
results_inds = []
for output_ind in output_type:
if output_ind < 3:
functions.extend(func_dict[output_ind])
args_all.extend(args_dict[output_ind])
results_inds.extend(results_inds_dict[output_ind])
uni, inds, counts = np.unique(results_inds, return_index=True, return_counts=True)
slice_dict = {}
for un, ind, count in zip(uni, inds, counts):
slice_dict[un] = (ind,(ind+count))
results = pool.map(self.postprocess_wrapper, ({'func':func, 'args': args}
for func, args in zip(functions, args_all)))
if 0 in slice_dict.keys():
[quadruplets_toprint] = results[slice_dict[0][0]:slice_dict[0][1]]
if 1 in slice_dict.keys():
quadruplexes_toprint_all = results[slice_dict[1][0]:slice_dict[1][1]]
quadruplexes_toprint = []
[quadruplexes_toprint.extend(quad) for quad in quadruplexes_toprint_all];
if 2 in slice_dict.keys():
[groups_toprint] = results[slice_dict[2][0]:slice_dict[2][1]]
pool.close()
pool.join()
else:
if 0 in output_type:
quadruplets_toprint = self.prepare_quadruplets_toprint(quadruplets, quadruplets_sequences)
if 1 in output_type:
quadruplexes_toprint = self.prepare_quadruplexes_toprint(quadruplexes, {0:fasta})
if 2 in output_type:
groups_toprint = self.prepare_groups_toprint(groups, fasta)
columns_set1.extend(['Sequence'])
columns_set2.extend(['Sequence'])
else:
if 0 in output_type:
quadruplets_toprint = quadruplets
if 1 in output_type:
quadruplexes_toprint = []
for quadruplex in quadruplexes:
seq = ''
quadruplex_toprint = []
for qu1 in quadruplex[:-1]:
quadruplex_toprint.extend(qu1)
quadruplex_toprint.append(quadruplex[-1])
quadruplexes_toprint.append(tuple(quadruplex_toprint))
if 2 in output_type:
groups_toprint = []
for group in groups:
seq = ''
group_toprint = []
for qu1 in group[:-1]:
group_toprint.extend(qu1)
group_toprint.append(group[-1])
groups_toprint.append(tuple(group_toprint))
for i in tqdm(range(1), desc='Saving tables', disable=self.verbose):
pool = Pool(processes=self.nthreads)
data = np.array([(quadruplets_toprint, columns_set1, fasta_id, 'quadruplets.csv'),
(quadruplexes_toprint, columns_set2, fasta_id, 'quadruplexes.csv'),
(groups_toprint, columns_set2, fasta_id, 'groups.csv'),
(ranges, ['Fasta ID', 'Start', 'End'], fasta_id, 'ranges.bed')])[output_type]
pool.map(self.save_tables_wrapper, data)
pool.close()
pool.join()
self.description_file()
print('Finished')
# Disable prints
def blockPrint():
sys.stdout = open(os.devnull, 'w')
def main():
parser = argparse.ArgumentParser(prog='ImGQFinder', description='The tool for finding G-, C- quadruplexes. The output positions are represented in a zero based counting.')
parser.add_argument('-i', '--input', help='Assembly scaffolds/contigs or full genomes, required.', required=True)
parser.add_argument('-o', '--output', default='', help='Name/path of a folder for output files. Saves to the current folder if not provided.')
parser.add_argument('-GC', default='G', help='Quad type, G- or C-. By default, G.')
parser.add_argument('-L', default=7, help='Maximum loop length. By default, 7.')
parser.add_argument('-q', default=4, help="The length of a quadruplet.") # the length of a tetrad
parser.add_argument('-nq', '--nquadruplets', default=4, help=argparse.SUPPRESS) # 'Number of quadruplets. By default, 4.'
parser.add_argument('-mdef', default=1, help='Allowed number of defective tetrads. By default, 1.')
parser.add_argument('-bulgelen', default=1, help='Total length of bulges in one quadruplet. By default, 1.')
parser.add_argument('-maxbulge', default=1, help='Maximum number of bulges per quadruplet. By default, 1.')
parser.add_argument('-bp', '--bulge_priority', action='store_true', help='By default, quadrouplexes with shorter bulge or without them are preferable while grouping. This behaviour can be changed with this parameter.')
parser.add_argument('-tetdef', default=1, help='Allowed number of defective nucleotides in tetrads. By default, 1.')
parser.add_argument('-ns', '--no-sequences', action='store_true', help='Not to include sequences to the output.')
parser.add_argument('-r', '--repeats', action='store_true', help='To include soft-masked genome areas. By default, not included.')
parser.add_argument('-v', '--verbose', action='store_true', help='Show the status of procesing or not. By default print stages info.')
parser.add_argument('--nthreads', default=1, help='Number of kernels to use.')
parser.add_argument('--output_type', default=['all'], nargs='+', help='List the numbers of file types you need the tool to generate or write all if you want all files. All - is the default. 0 - quadruplets, 1 - quadruplexes, 2 - groups, 3 - ranges. For example, --output_type 1 2 will generate only 2 files: quadruplexes and groups.')
args = parser.parse_args()
if not os.path.isdir(args.output):
os.mkdir(args.output)
#args.output = os.path.dirname(args.output)
if args.verbose:
blockPrint()
args.output_type = [atype.lower() for atype in args.output_type]
output_type_dict = {'all':4, '0':0, '1':1, '2':2, '3':3, '4':4}
output_type_dict_report = {'all':'all', '0':'quadruplets', '1':'quadruplexes', '2':'groups', '3':'ranges', '4':'all'}
output_type = sorted([output_type_dict[user_type] for user_type in args.output_type if user_type in list(output_type_dict.keys())])
output_type_report = [output_type_dict_report[user_type] for user_type in args.output_type if user_type in list(output_type_dict.keys())]
if output_type[-1] == 4:
output_type = [0, 1, 2, 3]
output_type_report = [output_type_dict_report[user_type] for user_type in ['0', '1', '2', '3']]
if 'all' in output_type:
output_type = ['quadruplets', 'quadruplexes', 'groups', 'ranges']
if len(output_type) == 1:
print('The ImGQfinder will generate %s file.'%(output_type_report[0]))
else:
print('The ImGQfinder will generate %s and %s files.'%(', '.join(output_type_report[:-1]), output_type_report[-1]))
if int(args.mdef) < int(args.tetdef):
print('Warning: The allowed number of defective nucleotides (-tetdef) is more than the number of nucleotides (-mdef).', end='\n\n')
finder = QuadruplexFinder(args.input, output_path = args.output, verbose = args.verbose, repeats=args.repeats,
GC=args.GC, L=int(args.L) , q=int(args.q), nquadruplets=int(args.nquadruplets), mdef=int(args.mdef), tetdef=int(args.tetdef),
len_bulge = int(args.bulgelen), max_bulge = int(args.maxbulge), bulge_priority = args.bulge_priority, nthreads = int(args.nthreads))
finder.run(print_sequences= not args.no_sequences, output_type = output_type)
if __name__ == '__main__':
main()