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#!/usr/bin/env python
# File created on 09 Feb 2010
from __future__ import division
__author__ = "Greg Caporaso"
__copyright__ = "Copyright 2011, The QIIME Project"
__credits__ = ["Greg Caporaso"]
__license__ = "GPL"
__version__ = "1.4.0"
__maintainer__ = "Greg Caporaso"
__email__ = "gregcaporaso@gmail.com"
__status__ = "Release"
import warnings
warnings.filterwarnings('ignore', 'Not using MPI as mpi4py not found')
from qiime.util import make_option
from os.path import split, splitext, join
from os import popen, system, makedirs, mkdir
from subprocess import check_call, CalledProcessError
from cogent.app.formatdb import build_blast_db_from_fasta_path
from qiime.util import load_qiime_config, parse_command_line_parameters,\
get_options_lookup, get_qiime_scripts_dir
from pynast.util import pairwise_alignment_methods
from qiime.parallel.util import split_fasta, get_random_job_prefix,\
write_jobs_file, submit_jobs, compute_seqs_per_file,\
build_filepaths_from_filepaths, get_poller_command,\
write_filepaths_to_file, write_merge_map_file_align_seqs
from qiime.parallel.align_seqs_pynast import get_job_commands
qiime_config = load_qiime_config()
options_lookup = get_options_lookup()
script_info={}
script_info['brief_description']="""Parallel sequence alignment using PyNAST"""
script_info['script_description']="""A wrapper for the align_seqs.py PyNAST option, intended to make use of multicore/multiprocessor environments to perform analyses in parallel."""
script_info['script_usage']=[]
script_info['script_usage'].append(("""Example""","""Align the input file (-i) against /home/qiime_user/pynast_test_template.fasta (-t) via 5 (-O) independent jobs and write the output (-o) to /home/qiime_user/out/:""","""%prog -i /home/qiime_user/10_seq.fasta -O 5 -t /home/qiime_user/pynast_test_template.fasta -o /home/qiime_user/out/"""))
script_info['output_description']="""This results in a multiple sequence alignment (FASTA-formatted)."""
script_info['required_options'] = [\
options_lookup['fasta_as_primary_input'],\
options_lookup['output_dir']
]
pairwise_alignment_method_choices = pairwise_alignment_methods.keys()
blast_db_default_help =\
qiime_config['pynast_template_alignment_blastdb'] or \
'created on-the-fly from template_alignment'
script_info['optional_options'] = [\
make_option('-a','--pairwise_alignment_method',\
type='choice',help='Method to use for pairwise alignments'+\
' [default: %default]',\
default='uclust',choices=pairwise_alignment_method_choices),\
make_option('-d','--blast_db',\
dest='blast_db',help='Database to blast against'+\
' [default: %s]' % blast_db_default_help,
default=qiime_config['pynast_template_alignment_blastdb']),\
make_option('-e','--min_length',action='store',\
type='int',help='Minimum sequence '+\
'length to include in alignment [default: %default]',\
default=150),\
make_option('-p','--min_percent_id',action='store',\
type='float',help='Minimum percent '+\
'sequence identity to closest blast hit to include sequence in'+\
' alignment [default: %default]',default=75.0),\
make_option('-N','--align_seqs_fp',action='store',\
type='string',help='full path to '+\
'Qiime/scripts/align_seqs.py [default: %default]',\
default=join(get_qiime_scripts_dir(),'align_seqs.py')),\
options_lookup['jobs_to_start'],\
options_lookup['poller_fp'],\
options_lookup['retain_temp_files'],\
options_lookup['suppress_submit_jobs'],\
options_lookup['poll_directly'],\
options_lookup['cluster_jobs_fp'],\
options_lookup['suppress_polling'],\
options_lookup['job_prefix'],\
options_lookup['python_exe_fp'],\
options_lookup['seconds_to_sleep']\
]
script_info['version'] = __version__
# pynast_template_alignment_fp is required only if it is not
# provided in qiime_config
if qiime_config['pynast_template_alignment_fp']:
script_info['optional_options'].append(make_option('-t','--template_fp',\
type='string',dest='template_fp',help='Filepath for '+\
'template against [default: %default]',
default=qiime_config['pynast_template_alignment_fp']))
else:
script_info['required_options'].append(make_option('-t','--template_fp',\
type='string',dest='template_fp',\
help='Filepath for template against',
default=qiime_config['pynast_template_alignment_fp']))
def main():
option_parser, opts, args = parse_command_line_parameters(**script_info)
# create local copies of command-line options
python_exe_fp = opts.python_exe_fp
align_seqs_fp = opts.align_seqs_fp
cluster_jobs_fp = opts.cluster_jobs_fp
input_fasta_fp = opts.input_fasta_fp
jobs_to_start = opts.jobs_to_start
output_dir = opts.output_dir
template_aln_fp = opts.template_fp
pairwise_alignment_method = opts.pairwise_alignment_method
min_length = opts.min_length
min_percent_id = opts.min_percent_id
poller_fp = opts.poller_fp
retain_temp_files = opts.retain_temp_files
suppress_polling = opts.suppress_polling
seconds_to_sleep = opts.seconds_to_sleep
poll_directly = opts.poll_directly
created_temp_paths = []
# split the input filepath into directory and filename, base filename and
# extension
input_dir, input_fasta_fn = split(input_fasta_fp)
input_file_basename, input_fasta_ext = splitext(input_fasta_fn)
# set the job_prefix either based on what the user passed in,
# or a random string beginning with RDP
job_prefix = opts.job_prefix or get_random_job_prefix('ALIGN')
# A temporary output directory is created in output_dir named
# job_prefix. Output files are then moved from the temporary
# directory to the output directory when they are complete, allowing
# a poller to detect when runs complete by the presence of their
# output files.
working_dir = '%s/%s' % (output_dir,job_prefix)
try:
makedirs(working_dir)
created_temp_paths.append(working_dir)
except OSError:
# working dir already exists
pass
if not opts.blast_db:
# Build the blast database from the reference_seqs_fp -- all procs
# will then access one db rather than create one per proc
blast_db, db_files_to_remove = \
build_blast_db_from_fasta_path(template_aln_fp,output_dir=working_dir)
created_temp_paths += db_files_to_remove
else:
blast_db = opts.blast_db
# compute the number of sequences that should be included in
# each file after splitting the input fasta file
num_seqs_per_file = compute_seqs_per_file(input_fasta_fp,jobs_to_start)
# split the fasta files and get the list of resulting files
tmp_fasta_fps =\
split_fasta(open(input_fasta_fp),num_seqs_per_file,\
job_prefix,working_dir=output_dir)
created_temp_paths += tmp_fasta_fps
# build the filepath for the 'jobs script'
jobs_fp = '%s/%sjobs.txt' % (output_dir, job_prefix)
created_temp_paths.append(jobs_fp)
# generate the list of commands to be pushed out to nodes and the list of
# output files generated by each job
commands, job_result_filepaths = \
get_job_commands(python_exe_fp,align_seqs_fp,tmp_fasta_fps,template_aln_fp,\
pairwise_alignment_method,output_dir,blast_db,\
min_length,min_percent_id,job_prefix,working_dir)
created_temp_paths += job_result_filepaths
# Set up poller apparatus if the user does not suppress polling
if not suppress_polling:
# Write the list of files which must exist for the jobs to be
# considered complete
expected_files_filepath = '%s/expected_out_files.txt' % working_dir
write_filepaths_to_file(job_result_filepaths,expected_files_filepath)
created_temp_paths.append(expected_files_filepath)
# Write the mapping file which described how the output files from
# each job should be merged into the final output files
merge_map_filepath = '%s/merge_map.txt' % working_dir
write_merge_map_file_align_seqs(job_result_filepaths,output_dir,\
merge_map_filepath,input_file_basename)
created_temp_paths.append(merge_map_filepath)
# Create the filepath listing the temporary files to be deleted,
# but don't write it yet
deletion_list_filepath = '%s/deletion_list.txt' % working_dir
created_temp_paths.append(deletion_list_filepath)
# Generate the command to run the poller, and the list of temp files
# created by the poller
if not poll_directly:
poller_command, poller_result_filepaths =\
get_poller_command(python_exe_fp,poller_fp,expected_files_filepath,\
merge_map_filepath,deletion_list_filepath,\
seconds_to_sleep=seconds_to_sleep)
created_temp_paths += poller_result_filepaths
# append the poller command to the list of job commands
commands.append(poller_command)
else:
poller_command, poller_result_filepaths =\
get_poller_command(python_exe_fp,poller_fp,\
expected_files_filepath,merge_map_filepath,\
deletion_list_filepath,seconds_to_sleep=seconds_to_sleep,\
command_prefix='',command_suffix='')
created_temp_paths += poller_result_filepaths
if not retain_temp_files:
# If the user wants temp files deleted, now write the list of
# temp files to be deleted
write_filepaths_to_file(created_temp_paths,deletion_list_filepath)
else:
# Otherwise just write an empty file
write_filepaths_to_file([],deletion_list_filepath)
# write the commands to the 'jobs files'
write_jobs_file(commands,job_prefix=job_prefix,jobs_fp=jobs_fp)
# submit the jobs file using cluster_jobs, if not suppressed by the
# user
if not opts.suppress_submit_jobs:
submit_jobs(cluster_jobs_fp,jobs_fp,job_prefix)
if poll_directly:
try:
check_call(poller_command.split())
except CalledProcessError, e:
print '**Error occuring when calling the poller directly. '+\
'Jobs may have been submitted, but are not being polled.'
print str(e)
exit(-1)
if __name__ == "__main__":
main()
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