def setUp(self):
args = argparse.Namespace()
args.sequence_db = self.find_data("base", "test_1.fasta")
args.db_type = 'gembase'
args.models_dir = self.find_data('models')
args.res_search_dir = tempfile.gettempdir()
args.log_level = 30
self.cfg = Config(MacsyDefaults(), args)
self.system_bank = ModelBank()
class Test(MacsyTest):
def setUp(self):
args = argparse.Namespace()
args.sequence_db = self.find_data("base", "test_1.fasta")
args.db_type = 'gembase'
args.models_dir = self.find_data('models')
args.res_search_dir = tempfile.gettempdir()
args.log_level = 30
self.cfg = Config(MacsyDefaults(), args)
self.system_bank = ModelBank()
def tearDown(self):
ModelBank._model_bank = {}
def test_add_get_model(self):
model_name = 'foo'
self.assertRaises(KeyError, self.system_bank.__getitem__, model_name)
system_foo = Model(model_name, 10)
self.system_bank.add_model(system_foo)
self.assertTrue(isinstance(system_foo, Model))
self.assertEqual(system_foo, self.system_bank[model_name])
with self.assertRaises(KeyError) as ctx:
self.system_bank.add_model(system_foo)
self.assertEqual(
str(ctx.exception),
'"a model named {0} is already registered in the models\' bank"'.
format(model_name))
def test_contains(self):
system_in = Model("foo", 10)
self.system_bank.add_model(system_in)
self.assertIn(system_in, self.system_bank)
system_out = Model("bar", 10)
self.assertNotIn(system_out, self.system_bank)
def test_iter(self):
systems = [Model('foo', 10), Model('bar', 10)]
for s in systems:
self.system_bank.add_model(s)
i = 0
for s in self.system_bank:
self.assertIn(s, systems)
i += 1
self.assertEqual(i, len(systems))
def test_get_uniq_object(self):
system_foo = Model("foo", 10)
self.system_bank.add_model(system_foo)
system_1 = self.system_bank[system_foo.name]
system_2 = self.system_bank[system_foo.name]
self.assertEqual(system_1, system_2)
def test_min_genes_required_cfg(self):
# test min_genes_required is specified from configuration
# so this value must overload the value read from xml
def_2_parse = set()
model_fqn = 'foo/model_5'
def_2_parse.add(model_fqn)
parsed = set()
min_genes_required = [[model_fqn, '4']]
self.args.min_genes_required = min_genes_required
self.cfg = Config(MacsyDefaults(), self.args)
self.model_bank = ModelBank()
self.gene_bank = GeneBank()
self.model_registry = ModelRegistry()
models_location = scan_models_dir(self.args.models_dir)
for ml in models_location:
self.model_registry.add(ml)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
models_2_detect = [
self.model_registry['foo'].get_definition(model_fqn)
]
self.parser.parse(models_2_detect)
m = self.model_bank[model_fqn]
self.assertEqual(m.min_genes_required, 4)
def test_inter_gene_max_space_cfg(self):
# test inter_gene_max_space is specified from configuration
# so this value must overload the value read from xml
model_fqn = 'foo/model_5'
inter_gene_max_space_cfg = [[model_fqn, '222']]
self.args.inter_gene_max_space = inter_gene_max_space_cfg
self.cfg = Config(MacsyDefaults(), self.args)
self.model_bank = ModelBank()
self.gene_bank = GeneBank()
self.model_registry = ModelRegistry()
models_location = scan_models_dir(self.args.models_dir)
for ml in models_location:
self.model_registry.add(ml)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
models_2_detect = [
self.model_registry['foo'].get_definition(model_fqn)
]
self.parser.parse(models_2_detect)
m = self.model_bank[model_fqn]
self.assertEqual(m.inter_gene_max_space, 222)
def test_search_systems_model_unknown(self):
logger = logging.getLogger('macsypy.macsyfinder')
macsypy.logger_set_level(level='ERROR')
defaults = MacsyDefaults()
out_dir = os.path.join(self.tmp_dir, 'macsyfinder_test_search_systems')
os.mkdir(out_dir)
seq_db = self.find_data('base', 'test_1.fasta')
model_dir = self.find_data('data_set', 'models')
args = f"--sequence-db {seq_db} --db-type=gembase --models-dir {model_dir} --models nimporaoik -w 4 -o {out_dir}"
_, parsed_args = parse_args(args.split())
config = Config(defaults, parsed_args)
model_bank = ModelBank()
gene_bank = GeneBank()
profile_factory = ProfileFactory(config)
exit_ori = sys.exit
sys.exit = self.fake_exit
try:
with self.assertRaises(TypeError) as ctx:
_ = search_systems(config, model_bank, gene_bank,
profile_factory, logger)
self.assertEqual(
str(ctx.exception),
"macsyfinder: \"No such model definition: 'nimporaoik'\"")
finally:
sys.exit = exit_ori
def test_search_systems_unordered(self):
logger = logging.getLogger('macsypy.macsyfinder')
macsypy.logger_set_level(level='ERROR')
defaults = MacsyDefaults()
out_dir = os.path.join(self.tmp_dir, 'macsyfinder_test_search_systems')
os.mkdir(out_dir)
seq_db = self.find_data('base', 'VICH001.B.00001.C001.prt')
model_dir = self.find_data('data_set', 'models')
# test unordered replicon
args = f"--sequence-db {seq_db} --db-type=unordered --models-dir {model_dir} --models set_1 all -w 4 -o {out_dir}"
_, parsed_args = parse_args(args.split())
config = Config(defaults, parsed_args)
model_bank = ModelBank()
gene_bank = GeneBank()
profile_factory = ProfileFactory(config)
systems, uncomplete_sys = search_systems(config, model_bank, gene_bank,
profile_factory, logger)
expected_sys_id = [
'Unordered_T2SS_4', 'Unordered_MSH_3', 'Unordered_T4P_5',
'Unordered_T4bP_6'
]
self.assertListEqual([s.id for s in systems], expected_sys_id)
expected_uncomplete_sys_id = [
'Unordered_Archaeal-T4P_1', 'Unordered_ComM_2', 'Unordered_Tad_7'
]
self.assertListEqual([s.id for s in uncomplete_sys],
expected_uncomplete_sys_id)
def setUp(self):
defaults = MacsyDefaults()
self.args = argparse.Namespace()
self.args.sequence_db = self.find_data("base", "test_1.fasta")
self.args.db_type = 'gembase'
self.args.models_dir = self.find_data('models')
self.args.res_search_dir = tempfile.gettempdir()
self.cfg = Config(defaults, self.args)
self.model_bank = ModelBank()
self.gene_bank = GeneBank()
self.profile_factory = ProfileFactory(self.cfg)
self.model_registry = ModelRegistry()
models_location = scan_models_dir(self.args.models_dir)
for ml in models_location:
self.model_registry.add(ml)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
def test_max_nb_genes_cfg(self):
self.model_bank = ModelBank()
self.gene_bank = GeneBank()
self.model_registry = ModelRegistry()
models_location = scan_models_dir(self.args.models_dir)
for ml in models_location:
self.model_registry.add(ml)
# max_nb_genes is specified in xml
# no user configuration on this
self.cfg = Config(MacsyDefaults(), self.args)
model_fqn = 'foo/model_6' # 4 genes in this model but xml specify 3
self.cfg = Config(MacsyDefaults(), self.args)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
models_2_detect = [
self.model_registry['foo'].get_definition(model_fqn)
]
self.parser.parse(models_2_detect)
m = self.model_bank[model_fqn]
self.assertEqual(m.max_nb_genes, 3)
# max_nb_genes is specified from configuration
# so this value must overload the value read from xml
model_fqn = 'foo/model_5' # 4 genes in this model
max_nb_genes = [[model_fqn, '6']]
self.args.max_nb_genes = max_nb_genes
self.cfg = Config(MacsyDefaults(), self.args)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
models_2_detect = [
self.model_registry['foo'].get_definition(model_fqn)
]
self.parser.parse(models_2_detect)
m = self.model_bank[model_fqn]
self.assertEqual(m.max_nb_genes, 6)
def test_multi_loci_cfg(self):
# test multi_loci is specified from configuration
# so this value must overload the value read from xml
model_fqn = 'foo/model_5'
self.args.multi_loci = model_fqn
self.cfg = Config(MacsyDefaults(), self.args)
self.model_bank = ModelBank()
self.gene_bank = GeneBank()
self.model_registry = ModelRegistry()
models_location = scan_models_dir(self.args.models_dir)
for ml in models_location:
self.model_registry.add(ml)
self.parser = DefinitionParser(self.cfg, self.model_bank,
self.gene_bank, self.model_registry,
self.profile_factory)
models_2_detect = [
self.model_registry['foo'].get_definition(model_fqn)
]
self.parser.parse(models_2_detect)
m = self.model_bank[model_fqn]
self.assertTrue(m.multi_loci)
def test_search_systems(self):
logger = logging.getLogger('macsypy.macsyfinder')
macsypy.logger_set_level(level='ERROR')
defaults = MacsyDefaults()
out_dir = os.path.join(self.tmp_dir, 'macsyfinder_test_search_systems')
os.mkdir(out_dir)
# test gembase replicon
seq_db = self.find_data('base', 'VICH001.B.00001.C001.prt')
model_dir = self.find_data('data_set', 'models')
args = f"--sequence-db {seq_db} --db-type=gembase --models-dir {model_dir} --models set_1 all -w 4 -o {out_dir}"
_, parsed_args = parse_args(args.split())
config = Config(defaults, parsed_args)
model_bank = ModelBank()
gene_bank = GeneBank()
profile_factory = ProfileFactory(config)
systems, rejected_clst = search_systems(config, model_bank, gene_bank,
profile_factory, logger)
expected_sys_id = [
'VICH001.B.00001.C001_MSH_5', 'VICH001.B.00001.C001_MSH_7',
'VICH001.B.00001.C001_T4P_25', 'VICH001.B.00001.C001_T4P_23',
'VICH001.B.00001.C001_T4P_21', 'VICH001.B.00001.C001_T4P_22',
'VICH001.B.00001.C001_T4P_17', 'VICH001.B.00001.C001_T4P_16',
'VICH001.B.00001.C001_T4bP_26', 'VICH001.B.00001.C001_T4P_24',
'VICH001.B.00001.C001_T4P_18', 'VICH001.B.00001.C001_T4P_19',
'VICH001.B.00001.C001_T4P_20', 'VICH001.B.00001.C001_T2SS_10',
'VICH001.B.00001.C001_T2SS_9'
]
self.assertListEqual([s.id for s in systems], expected_sys_id)
expected_scores = [
10.5, 10.0, 12.0, 9.5, 9.0, 8.5, 6.0, 5.0, 5.5, 10.5, 7.5, 7.0,
8.0, 8.3, 7.5
]
self.assertListEqual([s.score for s in systems], expected_scores)
self.assertEqual(len(rejected_clst), 11)
# test hits but No Systems
args = f"--sequence-db {seq_db} --db-type=gembase --models-dir {model_dir} --models set_1 Tad -w 4 -o {out_dir}"
_, parsed_args = parse_args(args.split())
config = Config(defaults, parsed_args)
model_bank = ModelBank()
gene_bank = GeneBank()
profile_factory = ProfileFactory(config)
systems, rejected_clst = search_systems(config, model_bank, gene_bank,
profile_factory, logger)
self.assertEqual(systems, [])
# test No hits
seq_db = self.find_data('base', 'test_1.fasta')
args = f"--sequence-db {seq_db} --db-type=gembase --models-dir {model_dir} --models set_1 T4bP -w 4 -o {out_dir}"
_, parsed_args = parse_args(args.split())
config = Config(defaults, parsed_args)
model_bank = ModelBank()
gene_bank = GeneBank()
profile_factory = ProfileFactory(config)
systems, rejected_clst = search_systems(config, model_bank, gene_bank,
profile_factory, logger)
self.assertEqual(systems, [])
self.assertEqual(rejected_clst, [])
def main(args=None, loglevel=None):
"""
main entry point to MacSyFinder do some check before to launch :func:`main_search_systems` which is
the real function that perform a search
:param args: the arguments passed on the command line without the program name
:type args: List of string
:param loglevel: the output verbosity
:type loglevel: a positive int or a string among 'DEBUG', 'INFO', 'WARNING', 'ERROR', 'CRITICAL'
"""
args = sys.argv[1:] if args is None else args
parser, parsed_args = parse_args(args)
defaults = MacsyDefaults()
config = Config(defaults, parsed_args)
###########################
# creation of working dir
###########################
working_dir = config.working_dir()
if not os.path.exists(working_dir):
os.makedirs(working_dir)
else:
if os.path.isdir(working_dir):
if os.listdir(working_dir):
raise ValueError(
f"'{working_dir}' already exists and is not a empty")
else:
raise ValueError(
f"'{working_dir}' already exists and is not a directory")
################
# init loggers #
################
macsypy.init_logger(log_file=os.path.join(config.working_dir(),
config.log_file()),
out=not config.mute())
if not loglevel:
# logs are specify from args options
macsypy.logger_set_level(level=config.log_level())
else:
# used by unit tests to mute or unmute logs
macsypy.logger_set_level(level=loglevel)
logger = logging.getLogger('macsypy.macsyfinder')
if parsed_args.list_models:
print(list_models(parsed_args), file=sys.stdout)
sys.exit(0)
else:
if not parsed_args.previous_run and not parsed_args.models:
parser.print_help()
print()
sys.tracebacklimit = 0
raise OptionError(
"argument --models or --previous-run is required.")
elif not parsed_args.previous_run and not parsed_args.sequence_db:
parser.print_help()
print()
sys.tracebacklimit = 0
raise OptionError(
"argument --sequence-db or --previous-run is required.")
elif not parsed_args.previous_run and not parsed_args.db_type:
parser.print_help()
print()
sys.tracebacklimit = 0
raise OptionError(
"argument --db-type or --previous-run is required.")
_log.info(f"command used: {' '.join(sys.argv)}")
models = ModelBank()
genes = GeneBank()
profile_factory = ProfileFactory(config)
macsypy.hit.hit_weight = macsypy.hit.HitWeight(itself=3,
exchangeable=.75,
mandatory=2,
accessory=.25,
neutral=1.5)
logger.info("\n{:#^70}".format(" Searching systems "))
all_systems, rejected_clusters = search_systems(
config, models, genes, profile_factory, logger)
track_multi_systems_hit = HitSystemTracker(all_systems)
if config.db_type() in ('gembase', 'ordered_replicon'):
#############################
# Ordered/Gembase replicons #
#############################
###########################
# select the best systems #
###########################
logger.info("\n{:#^70}".format(" Computing best solutions "))
best_solutions = []
one_best_solution = []
# group systems found by replicon
# before to search best system combination
import time
for rep_name, syst_group in itertools.groupby(
all_systems, key=lambda s: s.replicon_name):
syst_group = list(syst_group)
logger.info(
f"Computing best solutions for {rep_name} (nb of systems {len(syst_group)})"
)
t0 = time.time()
best_sol_4_1_replicon, score = find_best_solutions(syst_group)
t1 = time.time()
logger.info(
f"It took {t1 - t0:.2f}sec to find best solution ({score:.2f}) for replicon {rep_name}"
)
# if several solutions are equivalent same number of system and score is same
# store all equivalent solution in best_solution => all_best_systems
# pick one in one_best_solution => best_systems
best_solutions.extend(best_sol_4_1_replicon)
one_best_solution.append(best_sol_4_1_replicon[0])
##############################
# Write the results in files #
##############################
logger.info("\n{:#^70}".format(" Writing down results "))
system_filename = os.path.join(config.working_dir(),
"all_systems.txt")
tsv_filename = os.path.join(config.working_dir(),
"all_systems.tsv")
with open(system_filename, "w") as sys_file:
systems_to_txt(all_systems, track_multi_systems_hit, sys_file)
with open(tsv_filename, "w") as tsv_file:
systems_to_tsv(all_systems, track_multi_systems_hit, tsv_file)
cluster_filename = os.path.join(config.working_dir(),
"rejected_clusters.txt")
with open(cluster_filename, "w") as clst_file:
rejected_clusters.sort(key=lambda clst: (
clst.replicon_name, clst.model, clst.hits))
rejected_clst_to_txt(rejected_clusters, clst_file)
if not (all_systems or rejected_clusters):
logger.info("No Systems found in this dataset.")
tsv_filename = os.path.join(config.working_dir(),
"all_best_solutions.tsv")
with open(tsv_filename, "w") as tsv_file:
solutions_to_tsv(best_solutions, track_multi_systems_hit,
tsv_file)
tsv_filename = os.path.join(config.working_dir(),
"best_solution.tsv")
with open(tsv_filename, "w") as tsv_file:
# flattern the list and sort it
one_best_solution = [
syst for sol in one_best_solution for syst in sol
]
one_best_solution.sort(
key=lambda syst: (syst.replicon_name, syst.position[0],
syst.model.fqn, -syst.score))
systems_to_tsv(one_best_solution, track_multi_systems_hit,
tsv_file)
else:
#######################
# Unordered replicons #
#######################
##############################
# Write the results in files #
##############################
logger.info("\n{:#^70}".format(" Writing down results "))
system_filename = os.path.join(config.working_dir(),
"all_systems.txt")
with open(system_filename, "w") as sys_file:
likely_systems_to_txt(all_systems, track_multi_systems_hit,
sys_file)
# forbidden = [s for s in all_systems if s.forbidden_occ]
# system_filename = os.path.join(config.working_dir(), "forbidden_components.tsv")
# with open(system_filename, "w") as sys_file:
# likely_systems_to_tsv(forbidden, track_multi_systems_hit, sys_file)
system_filename = os.path.join(config.working_dir(),
"all_systems.tsv")
with open(system_filename, "w") as sys_file:
likely_systems_to_tsv(all_systems, track_multi_systems_hit,
sys_file)
cluster_filename = os.path.join(config.working_dir(),
"uncomplete_systems.txt")
with open(cluster_filename, "w") as clst_file:
unlikely_systems_to_txt(rejected_clusters, clst_file)
if not (all_systems or rejected_clusters):
logger.info("No Systems found in this dataset.")
logger.info("END")