def __init__(self,
dbhandle,
alignator,
table_scop_test,
min_profile_size=20,
min_level=30,
max_level=90,
neighbours="pairsdb_90x90"):
self.mMinProfileSize = min_profile_size
self.mMinLevel = min_level
self.mMaxLevel = max_level
self.mTableNameNeighbours = neighbours
ScopTester.__init__(self, dbhandle, alignator, table_scop_test)
self.mTableNeighbours = TablePairsdbNeighbours(self.dbhandle)
self.mTableNeighbours.SetName(self.mTableNameNeighbours)
self.mBlastL = 0.3 # lambda
self.mLogOddorScaleFactor = self.mBlastL
self.mLogOddor = alignlib.makeLogOddorDirichlet(
self.mLogOddorScaleFactor)
self.mMaxLinesMali = 1000
self.mRegularizor = alignlib.makeRegularizorDirichletPrecomputed()
def startUp( self ):
if self.isComplete(): return
if self.mAppend:
self.mProfileLibrary = ProfileLibrary.ProfileLibrary( self.mFilenameProfile + self.getSlice(),
"a" )
self.mContinueAt = self.mProfileLibrary.getLastInsertedKey()
self.info("processing will continue after %s" % (str( self.mContinueAt ) ) )
else:
self.mProfileLibrary = ProfileLibrary.ProfileLibrary( self.mFilenameProfile + self.getSlice(),
"w",
force=self.mForce )
# set default values
self.mProfileLibrary.setLogOddor( alignlib.makeLogOddorDirichlet( self.mScaleFactor ) )
self.mProfileLibrary.setRegularizor( alignlib.makeRegularizorDirichletPrecomputed() )
self.mProfileLibrary.setWeightor( alignlib.makeWeightor() )
alignlib.setDefaultEncoder( alignlib.getEncoder( alignlib.Protein20 ) )
def startUp(self):
if self.isComplete(): return
if self.mAppend:
self.mProfileLibrary = ProfileLibrary.ProfileLibrary(
self.mFilenameProfile + self.getSlice(), "a")
self.mContinueAt = self.mProfileLibrary.getLastInsertedKey()
self.info("processing will continue after %s" %
(str(self.mContinueAt)))
else:
self.mProfileLibrary = ProfileLibrary.ProfileLibrary(
self.mFilenameProfile + self.getSlice(),
"w",
force=self.mForce)
# set default values
self.mProfileLibrary.setLogOddor(
alignlib.makeLogOddorDirichlet(self.mScaleFactor))
self.mProfileLibrary.setRegularizor(
alignlib.makeRegularizorDirichletPrecomputed())
self.mProfileLibrary.setWeightor(alignlib.makeWeightor())
alignlib.setDefaultEncoder(alignlib.getEncoder(alignlib.Protein20))
def __init__(self,
dbhandle,
alignator,
table_scop_test,
min_profile_size = 20,
min_level = 30,
max_level = 90,
neighbours = "pairsdb_90x90"):
self.mMinProfileSize = min_profile_size
self.mMinLevel = min_level
self.mMaxLevel = max_level
self.mTableNameNeighbours = neighbours
ScopTester.__init__( self, dbhandle, alignator, table_scop_test )
self.mTableNeighbours = TablePairsdbNeighbours( self.dbhandle )
self.mTableNeighbours.SetName( self.mTableNameNeighbours)
self.mBlastL = 0.3 # lambda
self.mLogOddorScaleFactor = self.mBlastL
self.mLogOddor = alignlib.makeLogOddorDirichlet( self.mLogOddorScaleFactor )
self.mMaxLinesMali = 1000
self.mRegularizor = alignlib.makeRegularizorDirichletPrecomputed()
def startUp( self ):
if self.isComplete(): return
###############################################
# create objects for algorithm
alignlib.getDefaultToolkit().setEncoder( alignlib.getEncoder( alignlib.Protein20 ) )
self.mLogOddor = alignlib.makeLogOddorDirichlet( self.mScaleFactor )
self.mRegularizor = alignlib.makeRegularizorDirichletPrecomputed()
self.mWeightor = alignlib.makeWeightor()
alignlib.getDefaultToolkit().setRegularizor( self.mRegularizor )
alignlib.getDefaultToolkit().setLogOddor( self.mLogOddor )
alignlib.getDefaultToolkit().setWeightor( self.mWeightor )
if self.mUsePrebuiltProfiles:
self.mProfileLibrary = ProfileLibrary.ProfileLibrary( self.mFilenameProfiles, "r" )
self.mProfileLibrary.setWeightor( self.mWeightor )
self.mProfileLibrary.setLogOddor( self.mLogOddor )
self.mProfileLibrary.setRegularizor( self.mRegularizor )
else:
self.mProfileLibrary = None
self.mIndexedNeighbours = cadda.IndexedNeighbours( self.mFilenameGraph, self.mFilenameIndex )
self.mChecker = self.checkLinkZScore
self.mHeader = ("qdomain",
"sdomain",
"weight",
"passed",
"qstart",
"qend",
"qali",
"sstart",
"send",
"sali",
"score",
"naligned",
"ngaps",
"zscore" )
self.mAlignator = alignlib.makeAlignatorDPFull( alignlib.ALIGNMENT_LOCAL,
self.mGop,
self.mGep )
# the cache to store alignandum objects
self.mCache = {}
alignlib.setDefaultEncoder( alignlib.getEncoder( alignlib.Protein20 ) )
## initialize counters
self.mNPassed, self.mNFailed, self.mNNotFound = 0, 0, 0
self.mOutfile = self.openOutputStream( self.mFilenameAlignments )
if self.mContinueAt == None:
self.mOutfile.write( "\t".join( self.mHeader ) + "\n" )
self.mOutfile.flush()
self.mStartTime = time.time()
def main():
parser = optparse.OptionParser(version="%prog version: $Id$", usage=USAGE)
parser.add_option(
"--method",
dest="method",
type="choice",
choices=("view", "align", "pileup", "profile"),
help="method to perform [default=%default].",
)
parser.add_option(
"--mode", dest="mode", type="choice", choices=("global", "local"), help="alignment mode [default=%default]."
)
parser.add_option("--gop", dest="gop", type="float", help="gap opening penalty [default=%default].")
parser.add_option("--gep", dest="gep", type="float", help="gap extension penalty [default=%default].")
parser.set_defaults(
filename_graph="adda.graph",
filename_index="adda.graph.idx",
method="view",
filename_fasta="adda",
filename_config="adda.ini",
append=False,
force=False,
mode="local",
gop=-10.0,
gep=-1.0,
)
(options, args) = E.Start(parser)
config = AddaIO.ConfigParser()
config.read(os.path.expanduser(options.filename_config))
index = cadda.IndexedNeighbours(options.filename_graph, options.filename_index)
alignlib.getDefaultToolkit().setEncoder(alignlib.getEncoder(alignlib.Protein20))
alignlib.getDefaultToolkit().setRegularizor(alignlib.makeRegularizorDirichletPrecomputed())
alignlib.getDefaultToolkit().setLogOddor(alignlib.makeLogOddorDirichlet(0.3))
alignlib.getDefaultToolkit().setWeightor(alignlib.makeWeightor())
fasta = IndexedFasta.IndexedFasta(options.filename_fasta)
align = AddaProfiles.AddaProfiles(config, fasta=fasta)
if options.method == "view":
for nid in args:
nid = int(args[0])
neighbours = index.getNeighbours(nid)
for n in neighbours:
print str(n)
elif options.method == "pileup":
if "_" in args[0]:
nid, start, end = AddaIO.toTuple(args[0])
else:
nid = int(args[0])
start, end = None, None
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
options.stdout.write("%s\n" % str(mali))
elif options.method == "profile":
if "_" in args[0]:
nid, start, end = AddaIO.toTuple(args[0])
else:
nid = int(args[0])
start, end = None, None
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
prof = alignlib.makeProfile(mali)
E.info("nid: %i, neighours=%i" % (nid, len(neighbours)))
if start != None:
prof.useSegment(start, end)
prof.prepare()
options.stdout.write("%s\n" % str(prof))
elif options.method == "align":
nid1, start1, end1 = AddaIO.toTuple(args[0])
nid2, start2, end2 = AddaIO.toTuple(args[1])
align = AddaProfiles.AddaProfiles(config, fasta=fasta)
if options.mode == "local":
mode = alignlib.ALIGNMENT_LOCAL
else:
mode = alignlib.ALIGNMENT_GLOBAL
alignator = alignlib.makeAlignatorDPFull(mode, options.gop, options.gep)
def _buildProfile(nid, start, end):
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
prof = alignlib.makeProfile(mali)
E.info("nid: %i, neighours=%i" % (nid, len(neighbours)))
prof.useSegment(start, end)
prof.prepare()
seq = fasta.getSequence(nid)
return alignlib.makeSequence(seq), prof
seq1, prof1 = _buildProfile(nid1, start1, end1)
seq2, prof2 = _buildProfile(nid2, start2, end2)
result = alignlib.makeAlignmentVector()
alignator.align(result, prof1, prof2)
E.debug("%s\n" % str(result))
options.stdout.write(
"%s vs %s: score=%5.2f, length=%i, numgaps=%i, row_from=%i, row_to=%i, col_from=%i, col_to=%i\n"
% (
nid1,
nid2,
result.getScore(),
result.getLength(),
result.getNumGaps(),
result.getRowFrom(),
result.getRowTo(),
result.getColFrom(),
result.getColTo(),
)
)
f = alignlib.AlignmentFormatExplicit(result, seq1, seq2)
options.stdout.write("%s\n" % str(f))
E.Stop()
class Checker:
mShortOptions = "t:D:V:n:c:"
mLongOptions = [
"table=", "Database=", "Verbose=", "neighbours=", "no_cache", "masks=",
"table_masks="
]
def __init__(self):
self.mTableNameDomains = None
self.mDatabase = "pairsdb"
self.mMinOverlapResidues = 20
self.mMinCoverage = 0.2
self.mMinOverlap = 0.2
self.mDbhandle = Pairsdb()
self.mLogLevel = 2
self.mMask = 1
self.mMethodsMask = (3, 4)
self.mTableNameMasks = "nrdb90_masks"
self.mTableNameSource = "pairsdb_90x90"
self.mCache = 1
if not self.mDbhandle.Connect():
print "Connection failed"
sys.exit(1)
try:
optlist, args = getopt.getopt(sys.argv[1:], self.mShortOptions,
self.mLongOptions)
except getopt.error, msg:
print USAGE
sys.exit(2)
for o, a in optlist:
if o in ("-t", "--table"):
self.mTableNameDomains = a
elif o in ("-D", "--Database"):
self.mDatabase = a
elif o in ("-V", "--Verbose"):
self.mLogLevel = string.atoi(a)
elif o in ("-n", "--neighbours"):
self.mTableNameSource = a
elif o in ("-c", "--no_cache"):
self.mCache = 0
elif o in ("-m", "--masks"):
self.mMethodsMask = map(string.atoi, string.split(a, ","))
elif o == "--table_masks":
self.mTableNameMasks = a
self.mProfiles = {}
self.mIsProfile = {}
self.mDbhandle.UseDatabase(self.mDatabase)
# alignment parameters
self.mGop = -10.0
self.mGep = -1.0
self.mLogOddorType = "Rescaled"
self.mBlastL = 0.3 # lambda
self.mLogOddorScaleFactor = self.mBlastL
self.mLogOddor = alignlib.makeLogOddorDirichlet(
self.mLogOddorScaleFactor)
self.mMaxLinesMali = 1000
self.mRegularizor = alignlib.makeRegularizorDirichletPrecomputed()
self.mWeightor = alignlib.makeNoWeightor()
self.mFilter = None
# minimum size for using a profile for alignments
self.mMinProfileSize = 0
# threshold parameters for significance check
self.mMinAlignmentScore = 83.0
self.mMinAlignmentMotifLength = 10
self.mTableSource = TablePairsdbNeighbours(self.mDbhandle)
self.mTableSource.SetName(self.mTableNameSource)
self.mTableMasks = Table_nrdb90_masks(self.mDbhandle)
self.mTableMasks.SetName(self.mTableNameMasks)
self.mTableNrdb = Table_nrdb(self.mDbhandle)
self.mConnectionPairsdb = pairsdblib.Connection(
self.mDbhandle.GetHost(), self.mDbhandle.GetUser(),
self.mDbhandle.GetPassword(), self.mDbhandle.GetPort())
self.mConnectionPairsdb.Connect(self.mDatabase)
def main( argv = None ):
"""script main.
parses command line options in sys.argv, unless *argv* is given.
"""
if not argv: argv = sys.argv
# setup command line parser
parser = E.OptionParser( version = "%prog version: $Id: cgat_script_template.py 2871 2010-03-03 10:20:44Z andreas $",
usage = globals()["__doc__"] )
parser.add_option("-o", "--gop", dest="gop", type="float",
help="gap opening penalty [default=%default]." )
parser.add_option("-e", "--gep", dest="gep", type="float",
help="gap extension penalty [default=%default]." )
parser.add_option("-m", "--mode", dest="mode", type="choice",
choices = ("global", "local" ),
help="alignment mode, global=nw, local=sw [default=%default]." )
parser.set_defaults(
gop = -12.0,
gep = -2.0,
format= "fasta",
mode = "local",
)
## add common options (-h/--help, ...) and parse command line
(options, args) = E.Start( parser, argv = argv )
if len(args) != 2: raise ValueError("please supply two multiple alignments in FASTA format.")
mali1 = Mali.Mali()
mali2 = Mali.Mali()
E.info( "read 2 multiple alignments" )
mali1.readFromFile( IOTools.openFile( args[0], "r" ), format=options.format )
mali2.readFromFile( IOTools.openFile( args[1], "r" ), format=options.format )
cmali1 = Mali.convertMali2Alignlib( mali1 )
cmali2 = Mali.convertMali2Alignlib( mali2 )
if options.mode == "local":
mode = alignlib.ALIGNMENT_LOCAL
elif options.mode == "global":
mode = alignlib.ALIGNMENT_GLOBAL
alignator = alignlib.makeAlignatorDPFull( mode,
options.gop, options.gep )
alignlib.setDefaultEncoder( alignlib.getEncoder( alignlib.Protein20) )
alignlib.setDefaultLogOddor( alignlib.makeLogOddorDirichlet( 0.3 ) )
alignlib.setDefaultRegularizor( alignlib.makeRegularizorDirichletPrecomputed() )
cprofile1 = alignlib.makeProfile( cmali1 )
cprofile2 = alignlib.makeProfile( cmali2 )
result = alignlib.makeAlignmentVector()
alignator.align( result, cprofile1, cprofile2 )
E.debug( "result=\n%s" % alignlib.AlignmentFormatEmissions( result) )
cmali1.add( cmali2, result )
outmali = Mali.convertAlignlib2Mali( cmali1,
identifiers = mali1.getIdentifiers() + mali2.getIdentifiers() )
outmali.writeToFile( options.stdout, format=options.format)
## write footer and output benchmark information.
E.Stop()
def main():
parser = optparse.OptionParser(version="%prog version: $Id$", usage=USAGE)
parser.add_option("--method",
dest="method",
type="choice",
choices=("view", "align", "pileup", "profile"),
help="method to perform [default=%default].")
parser.add_option("--mode",
dest="mode",
type="choice",
choices=("global", "local"),
help="alignment mode [default=%default].")
parser.add_option("--gop",
dest="gop",
type="float",
help="gap opening penalty [default=%default].")
parser.add_option("--gep",
dest="gep",
type="float",
help="gap extension penalty [default=%default].")
parser.set_defaults(
filename_graph="adda.graph",
filename_index="adda.graph.idx",
method="view",
filename_fasta="adda",
filename_config="adda.ini",
append=False,
force=False,
mode="local",
gop=-10.0,
gep=-1.0,
)
(options, args) = E.Start(parser)
config = AddaIO.ConfigParser()
config.read(os.path.expanduser(options.filename_config))
index = cadda.IndexedNeighbours(options.filename_graph,
options.filename_index)
alignlib.getDefaultToolkit().setEncoder(
alignlib.getEncoder(alignlib.Protein20))
alignlib.getDefaultToolkit().setRegularizor(
alignlib.makeRegularizorDirichletPrecomputed())
alignlib.getDefaultToolkit().setLogOddor(
alignlib.makeLogOddorDirichlet(0.3))
alignlib.getDefaultToolkit().setWeightor(alignlib.makeWeightor())
fasta = IndexedFasta.IndexedFasta(options.filename_fasta)
align = AddaProfiles.AddaProfiles(config, fasta=fasta)
if options.method == "view":
for nid in args:
nid = int(args[0])
neighbours = index.getNeighbours(nid)
for n in neighbours:
print str(n)
elif options.method == "pileup":
if "_" in args[0]:
nid, start, end = AddaIO.toTuple(args[0])
else:
nid = int(args[0])
start, end = None, None
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
options.stdout.write("%s\n" % str(mali))
elif options.method == "profile":
if "_" in args[0]:
nid, start, end = AddaIO.toTuple(args[0])
else:
nid = int(args[0])
start, end = None, None
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
prof = alignlib.makeProfile(mali)
E.info("nid: %i, neighours=%i" % (nid, len(neighbours)))
if start != None:
prof.useSegment(start, end)
prof.prepare()
options.stdout.write("%s\n" % str(prof))
elif options.method == "align":
nid1, start1, end1 = AddaIO.toTuple(args[0])
nid2, start2, end2 = AddaIO.toTuple(args[1])
align = AddaProfiles.AddaProfiles(config, fasta=fasta)
if options.mode == "local":
mode = alignlib.ALIGNMENT_LOCAL
else:
mode = alignlib.ALIGNMENT_GLOBAL
alignator = alignlib.makeAlignatorDPFull(mode, options.gop,
options.gep)
def _buildProfile(nid, start, end):
neighbours = index.getNeighbours(nid)
mali = align.buildMali(nid, neighbours)
prof = alignlib.makeProfile(mali)
E.info("nid: %i, neighours=%i" % (nid, len(neighbours)))
prof.useSegment(start, end)
prof.prepare()
seq = fasta.getSequence(nid)
return alignlib.makeSequence(seq), prof
seq1, prof1 = _buildProfile(nid1, start1, end1)
seq2, prof2 = _buildProfile(nid2, start2, end2)
result = alignlib.makeAlignmentVector()
alignator.align(result, prof1, prof2)
E.debug("%s\n" % str(result))
options.stdout.write( "%s vs %s: score=%5.2f, length=%i, numgaps=%i, row_from=%i, row_to=%i, col_from=%i, col_to=%i\n" %\
(nid1, nid2,
result.getScore(),
result.getLength(),
result.getNumGaps(),
result.getRowFrom(), result.getRowTo(),
result.getColFrom(), result.getColTo()))
f = alignlib.AlignmentFormatExplicit(result, seq1, seq2)
options.stdout.write("%s\n" % str(f))
E.Stop()
