1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542
|
# Copyright 2009-2013 by Peter Cock. All rights reserved.
# This code is part of the Biopython distribution and governed by its
# license. Please see the LICENSE file that should have been included
# as part of this package.
#
# This unit test attempts to locate the blastall executable and the nr
# database.
"""Tests for NCBI BLAST tools module."""
import os
import os.path
import sys
import subprocess
import unittest
import re
from Bio.Application import _escape_filename
from Bio import MissingExternalDependencyError
from Bio.Blast import Applications
# TODO - On windows, can we use the ncbi.ini file?
wanted = [
"blastx",
"blastp",
"blastn",
"tblastn",
"tblastx",
"rpsblast+", # For Debian
"rpsblast",
"rpstblastn",
"psiblast",
"blast_formatter",
"deltablast",
"makeblastdb",
]
exe_names = {}
if sys.platform == "win32":
# The Windows 32 bit BLAST 2.2.22+ installer does add itself to the path,
# and by default installs to C:\Program Files\NCBI\BLAST-2.2.22+\bin
# To keep things simple, assume BLAST+ is on the path on Windows.
#
# On Windows the environment variable name isn't case sensitive,
# but must split on ";" not ":"
likely_dirs = os.environ.get("PATH", "").split(";")
else:
likely_dirs = os.environ.get("PATH", "").split(":")
for folder in likely_dirs:
if not os.path.isdir(folder):
continue
# Loop over copy as will remove entries from wanted:
for name in wanted[:]:
if sys.platform == "win32":
exe_name = os.path.join(folder, name + ".exe")
else:
exe_name = os.path.join(folder, name)
if not os.path.isfile(exe_name):
continue
# To tell the old and new rpsblast apart (since I have both on
# my path and the old blast has priority), try -h as a parameter.
# This should also reject WU-BLAST (since it doesn't like -h).
child = subprocess.Popen(
exe_name + " -h",
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
output, error = child.communicate()
if child.returncode == 0 and "ERROR: Invalid argument: -h" not in output:
# Special case, blast_formatter from BLAST 2.2.23+ (i.e. BLAST+)
# has mandatory argument -rid, but no -archive. We don't support it.
if name == "blast_formatter" and " -archive " not in output:
continue
exe_names[name] = exe_name
wanted.remove(name) # can stop search for this now
# else:
# print("Rejecting %r" % exe_name)
del exe_name, name
# To avoid the name clash with legacy BLAST, Debian introduced rpsblast+ alias
if "rpsblast+" in wanted:
wanted.remove("rpsblast+")
if "rpsblast+" in exe_names:
exe_names["rpsblast"] = exe_names["rpsblast+"]
del exe_names["rpsblast+"]
# We can cope with blast_formatter being missing, only added in BLAST 2.2.24+
# We can cope with deltablast being missing, only added in BLAST 2.2.26+
optional = ["blast_formatter", "deltablast"]
if len(set(exe_names).difference(optional)) < len(set(wanted).difference(optional)):
raise MissingExternalDependencyError(
"Install the NCBI BLAST+ command line tools if you want to use the "
"Bio.Blast.Applications wrapper."
)
class Pairwise(unittest.TestCase):
def test_blastp(self):
"""Pairwise BLASTP search."""
global exe_names
cline = Applications.NcbiblastpCommandline(
exe_names["blastp"],
query="Fasta/rose.pro",
subject="GenBank/NC_005816.faa",
evalue=1,
)
self.assertEqual(
str(cline),
_escape_filename(exe_names["blastp"])
+ " -query Fasta/rose.pro -evalue 1"
+ " -subject GenBank/NC_005816.faa",
)
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
return_code = child.returncode
self.assertEqual(
return_code, 0, "Got error code %i back from:\n%s" % (return_code, cline)
)
# Used to get 10 matches from 10 pairwise searches,
# as of NCBI BLAST+ 2.3.0 only get 1 Query= line:
if stdoutdata.count("Query= ") == 10:
if stdoutdata.count("***** No hits found *****") == 7:
# This happens with BLAST 2.2.26+ which is potentially a bug
pass
else:
self.assertEqual(9, stdoutdata.count("***** No hits found *****"))
else:
# Assume this is NCBI BLAST+ 2.3.0 or later,
self.assertEqual(1, stdoutdata.count("Query= "))
self.assertEqual(0, stdoutdata.count("***** No hits found *****"))
def test_blastn(self):
"""Pairwise BLASTN search."""
global exe_names
cline = Applications.NcbiblastnCommandline(
exe_names["blastn"],
query="GenBank/NC_005816.ffn",
subject="GenBank/NC_005816.fna",
evalue="0.000001",
)
self.assertEqual(
str(cline),
_escape_filename(exe_names["blastn"])
+ " -query GenBank/NC_005816.ffn -evalue 0.000001"
+ " -subject GenBank/NC_005816.fna",
)
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
return_code = child.returncode
self.assertEqual(
return_code, 0, "Got error code %i back from:\n%s" % (return_code, cline)
)
self.assertEqual(10, stdoutdata.count("Query= "))
self.assertEqual(0, stdoutdata.count("***** No hits found *****"))
# TODO - Parse it?
def test_tblastn(self):
"""Pairwise TBLASTN search."""
global exe_names
cline = Applications.NcbitblastnCommandline(
exe_names["tblastn"],
query="GenBank/NC_005816.faa",
subject="GenBank/NC_005816.fna",
evalue="1e-6",
)
self.assertEqual(
str(cline),
_escape_filename(exe_names["tblastn"])
+ " -query GenBank/NC_005816.faa -evalue 1e-6"
+ " -subject GenBank/NC_005816.fna",
)
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
return_code = child.returncode
self.assertEqual(
return_code, 0, "Got error code %i back from:\n%s" % (return_code, cline)
)
self.assertEqual(10, stdoutdata.count("Query= "))
self.assertEqual(0, stdoutdata.count("***** No hits found *****"))
# TODO - Parse it?
class BlastDB(unittest.TestCase):
def test_requires_dbtype(self):
"""Check that dbtype throws error if not set."""
global exe_names
cline = Applications.NcbimakeblastdbCommandline(
exe_names["makeblastdb"], input_file="GenBank/NC_005816.faa"
)
with self.assertRaises(ValueError):
str(cline)
def test_fasta_db_prot(self):
"""Test makeblastdb wrapper with protein database."""
global exe_names
cline = Applications.NcbimakeblastdbCommandline(
exe_names["makeblastdb"],
input_file="GenBank/NC_005816.faa",
dbtype="prot",
hash_index=True,
max_file_sz="20MB",
parse_seqids=True,
taxid=10,
)
self.assertEqual(
str(cline),
_escape_filename(exe_names["makeblastdb"])
+ " -dbtype prot -in GenBank/NC_005816.faa"
" -parse_seqids -hash_index -max_file_sz 20MB"
" -taxid 10",
)
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
return_code = child.returncode
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.phd"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.phi"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.phr"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.pin"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.pog"))
self.assertTrue(
os.path.isfile("GenBank/NC_005816.faa.psd")
or os.path.isfile("GenBank/NC_005816.faa.pnd")
)
self.assertTrue(
os.path.isfile("GenBank/NC_005816.faa.psi")
or os.path.isfile("GenBank/NC_005816.faa.pni")
)
self.assertTrue(os.path.isfile("GenBank/NC_005816.faa.psq"))
def test_fasta_db_nucl(self):
"""Test makeblastdb wrapper with nucleotide database."""
global exe_names
cline = Applications.NcbimakeblastdbCommandline(
exe_names["makeblastdb"],
input_file="GenBank/NC_005816.fna",
dbtype="nucl",
hash_index=True,
max_file_sz="20MB",
parse_seqids=True,
taxid=10,
)
self.assertEqual(
str(cline),
_escape_filename(exe_names["makeblastdb"])
+ " -dbtype nucl -in GenBank/NC_005816.fna"
" -parse_seqids -hash_index -max_file_sz 20MB"
" -taxid 10",
)
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
return_code = child.returncode
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nhd"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nhi"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nhr"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nin"))
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nog"))
self.assertTrue(
os.path.isfile("GenBank/NC_005816.fna.nsd")
or os.path.isfile("GenBank/NC_005816.fna.nnd")
)
self.assertTrue(
os.path.isfile("GenBank/NC_005816.fna.nsi")
or os.path.isfile("GenBank/NC_005816.fna.nni")
)
self.assertTrue(os.path.isfile("GenBank/NC_005816.fna.nsq"))
# makeblastdb makes files in the same dir as the input, clean these up
def tearDown(self):
blastdb_matcher_prot = re.compile(r"NC_005816\.faa\.p.+")
for file in os.listdir("GenBank/"):
if blastdb_matcher_prot.match(file):
path = os.path.join("GenBank/", file)
os.remove(path)
blastdb_matcher_nucl = re.compile(r"NC_005816\.fna\.n.+")
for file in os.listdir("GenBank/"):
if blastdb_matcher_nucl.match(file):
path = os.path.join("GenBank/", file)
os.remove(path)
class CheckCompleteArgList(unittest.TestCase):
def check(self, exe_name, wrapper):
global exe_names
exe = exe_names[exe_name]
# dbtype must be set to initialize NcbimakeblastdbCommandline
if exe_name == "makeblastdb":
cline = wrapper(exe, h=True, dbtype="prot")
else:
cline = wrapper(exe, h=True)
names = {parameter.names[0] for parameter in cline.parameters}
child = subprocess.Popen(
str(cline),
stdout=subprocess.PIPE,
stderr=subprocess.PIPE,
universal_newlines=True,
shell=(sys.platform != "win32"),
)
stdoutdata, stderrdata = child.communicate()
self.assertEqual(stderrdata, "", "%s\n%s" % (str(cline), stderrdata))
names_in_tool = set()
while stdoutdata:
index = stdoutdata.find("[")
if index == -1:
break
stdoutdata = stdoutdata[index + 1 :]
index = stdoutdata.find("]")
assert index != -1
name = stdoutdata[:index]
if " " in name:
name = name.split(None, 1)[0]
names_in_tool.add(name)
stdoutdata = stdoutdata[index + 1 :]
extra = names.difference(names_in_tool)
missing = names_in_tool.difference(names)
if "-verbose" in missing:
# Known issue, seems to be present in some builds (Bug 3043)
missing.remove("-verbose")
if "-remote_verbose" in missing:
# Known issue, seems to be present in some builds (Bug 3043)
missing.remove("-remote_verbose")
if "-use_test_remote_service" in missing:
# Known issue, seems to be present in some builds (Bug 3043)
missing.remove("-use_test_remote_service")
if exe_name == "blastn" and "-off_diagonal_range" in extra:
# Added in BLAST 2.2.23+
extra.remove("-off_diagonal_range")
if exe_name == "tblastx":
# These appear to have been removed in BLAST 2.2.23+
# (which seems a bit odd - TODO - check with NCBI?)
extra = extra.difference(
["-gapextend", "-gapopen", "-xdrop_gap", "-xdrop_gap_final"]
)
if exe_name in ["rpsblast", "rpstblastn"]:
# These appear to have been removed in BLAST 2.2.24+
# (which seems a bit odd - TODO - check with NCBI?)
extra = extra.difference(["-num_threads"])
if exe_name in ["tblastn", "tblastx"]:
# These appear to have been removed in BLAST 2.2.24+
extra = extra.difference(["-db_soft_mask"])
# This was added in BLAST 2.2.24+ to most/all the tools, so
# will be seen as an extra argument on older versions:
if "-seqidlist" in extra:
extra.remove("-seqidlist")
if "-db_hard_mask" in extra and exe_name in [
"blastn",
"blastp",
"blastx",
"tblastx",
"tblastn",
]:
# New in BLAST 2.2.25+ so will look like an extra arg on old BLAST
extra.remove("-db_hard_mask")
if "-msa_master_idx" in extra and exe_name == "psiblast":
# New in BLAST 2.2.25+ so will look like an extra arg on old BLAST
extra.remove("-msa_master_idx")
if exe_name == "rpsblast":
# New in BLAST 2.2.25+ so will look like an extra arg on old BLAST
extra = extra.difference(
["-best_hit_overhang", "-best_hit_score_edge", "-culling_limit"]
)
if "-max_hsps_per_subject" in extra:
# New in BLAST 2.2.26+ so will look like an extra arg on old BLAST
extra.remove("-max_hsps_per_subject")
if "-ignore_msa_master" in extra and exe_name == "psiblast":
# New in BLAST 2.2.26+ so will look like an extra arg on old BLAST
extra.remove("-ignore_msa_master")
if exe_name == "blastx":
# New in BLAST 2.2.27+ so will look like an extra arg on old BLAST
extra = extra.difference(["-comp_based_stats", "-use_sw_tback"])
if exe_name in ["blastx", "tblastn"]:
# Removed in BLAST 2.2.27+ so will look like extra arg on new BLAST
extra = extra.difference(["-frame_shift_penalty"])
if exe_name in [
"blastn",
"blastp",
"blastx",
"tblastn",
"tblastx",
"psiblast",
"rpstblastn",
"rpsblast",
]:
# New in BLAST 2.2.29+ so will look like extra args on old BLAST:
extra = extra.difference(["-max_hsps", "-sum_statistics"])
if exe_name in ["rpstblastn", "rpsblast"]:
# Removed in BLAST 2.2.29+ so will look like extra args on new BLAST
extra = extra.difference(["-gilist", "-negative_gilist"])
# Removed in BLAST 2.2.30 so will look like extra args on new BLAST
# Apparently -word_size should never have been added to these tools.
extra = extra.difference(["-word_size"])
# New in BLAST 2.2.28+ (for rpsblast) and BLAST 2.6+ (for rpstblastn)
# so will look like extra args on old BLAST:
extra = extra.difference(["-comp_based_stats", "-use_sw_tback"])
if exe_name == "deltablast":
# New in BLAST+ 2.2.29 so will look like extra args on BLAST+ 2.2.28
extra = extra.difference(["-entrez_query", "-max_hsps", "-sum_statistics"])
# New in BLAST+ 2.2.27 so looks like extra arg on BLAST+ 2.2.26
extra = extra.difference(["-remote"])
if exe_name in ["blastx", "tblastn"]:
# New in BLAST+ 2.2.30 so will look like extra args on BLAST+ 2.2.29 etc
extra = extra.difference(["-task"])
if exe_name in [
"blastn",
"blastp",
"blastx",
"deltablast",
"psiblast",
"rpstblastn",
"rpsblast",
"tblastn",
"tblastx",
]:
# New in BLAST+ 2.2.30 so will look like extra args on BLAST+ 2.2.29 etc
extra = extra.difference(["-line_length", "-qcov_hsp_perc", "-sum_stats"])
if exe_name in ["deltablast", "psiblast"]:
# New in BLAST+ 2.3.0 so will look like extra args on older verions
extra = extra.difference(["-save_each_pssm", "-save_pssm_after_last_round"])
if exe_name == "makeblastdb":
# -input_type is new in BLAST+ 2.2.26+ so will look like extra
# arg on older versions. -mask_desc and -mask_id were added after
# 2.2.28+, but not documented in changelog.
# -dbtype also ignored here, as it was set to initialize class.
extra = extra.difference(
["-input_type", "-mask_desc", "-mask_id", "-dbtype"]
)
# This was added in BLAST+ 2.7.1 (or maybe 2.7.0) to most/all the tools,
# so will be seen as an extra argument on older versions:
if "-negative_seqidlist" in extra:
extra.remove("-negative_seqidlist")
if extra or missing:
import warnings
warnings.warn(
"NCBI BLAST+ %s and Biopython out sync. Please update Biopython, "
"or report this issue if you are already using the latest version. "
"(Extra args: %s; Missing: %s)"
% (exe_name, ",".join(sorted(extra)), ",".join(sorted(missing)))
)
# An almost trivial example to test any validation
if "-query" in names:
cline = wrapper(exe, query="dummy")
elif "-archive" in names:
cline = wrapper(exe, archive="dummy")
str(cline)
def test_blastx(self):
"""Check all blastx arguments are supported."""
self.check("blastx", Applications.NcbiblastxCommandline)
def test_blastp(self):
"""Check all blastp arguments are supported."""
self.check("blastp", Applications.NcbiblastpCommandline)
def test_blastn(self):
"""Check all blastn arguments are supported."""
self.check("blastn", Applications.NcbiblastnCommandline)
def test_tblastx(self):
"""Check all tblastx arguments are supported."""
self.check("tblastx", Applications.NcbitblastxCommandline)
def test_tblastn(self):
"""Check all tblastn arguments are supported."""
self.check("tblastn", Applications.NcbitblastnCommandline)
def test_psiblast(self):
"""Check all psiblast arguments are supported."""
self.check("psiblast", Applications.NcbipsiblastCommandline)
def test_rpsblast(self):
"""Check all rpsblast arguments are supported."""
self.check("rpsblast", Applications.NcbirpsblastCommandline)
def test_rpstblastn(self):
"""Check all rpstblastn arguments are supported."""
self.check("rpstblastn", Applications.NcbirpstblastnCommandline)
def test_makeblastdb(self):
"""Check all makeblastdb arguments are supported."""
self.check("makeblastdb", Applications.NcbimakeblastdbCommandline)
if "blast_formatter" in exe_names:
def test_blast_formatter(self):
"""Check all blast_formatter arguments are supported."""
self.check("blast_formatter", Applications.NcbiblastformatterCommandline)
if "deltablast" in exe_names:
def test_deltablast(self):
"""Check all deltablast arguments are supported."""
self.check("deltablast", Applications.NcbideltablastCommandline)
if __name__ == "__main__":
runner = unittest.TextTestRunner(verbosity=2)
unittest.main(testRunner=runner)
|