def genelist2fs(gl):
qid2cds = ids2cds(gl)
fs = {
"description": "Feature set generated by " + ",".join(gl),
"elements": {}
}
cdmie = CDMI_EntityAPI(URLS.cdmi)
cdmic = CDMI_API(URLS.cdmi)
cds_ids = qid2cds.values()
cds2l = cds2locus(cds_ids)
lfunc = cdmic.fids_to_functions(cds2l.values())
fm = cdmie.get_entity_Feature(
cds_ids,
['feature_type', 'source_id', 'sequence_length', 'function', 'alias'])
for i in cds_ids:
if i in fm:
if not fm[i]['function'] and cds2l[i] in lfunc:
fm[i]['function'] = lfunc[cds2l[i]]
fs['elements'][i] = {
"data": {
'type': fm[i]['feature_type'],
'id': i,
'dna_sequence_length': int(fm[i]['sequence_length']),
'function': fm[i]['function'],
'aliases': fm[i]['alias']
}
}
return fs
def getOtuGenomeIds(count, config):
''' Query the CDMI for a list of OTU genome IDs.
@param count Number of entities to retrieve in each function call
@param config Dictionary of configuration variables
@return List of all OTU genome IDs, list of only prokaryote OTUs
'''
# Get the complete list of OTUs.
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
otudict = dict()
start = 0
done = False
while not done:
subdict = cdmi_entity.all_entities_OTU(start, count, ["id"])
otudict.update(subdict)
start += count
if len(subdict) < count:
done = True
# Find out if a OTU is marked as representative and if it is prokaryotic.
otuids = getFieldFromEntity(otudict, "id")
gendict = cdmi_entity.get_relationship_IsCollectionOf(otuids, [], ["representative"], ["id", "prokaryotic"])
isrep = getFieldFromRelationship(gendict, "representative", "rel")
isprok = getFieldFromRelationship(gendict, "prokaryotic", "to")
genomeid = getFieldFromRelationship(gendict, "id", "to")
prokotus = []
otus = []
for ii in range(len(genomeid)):
if int(isrep[ii]) == 1 and int(isprok[ii]) == 1:
prokotus.append(genomeid[ii])
if int(isrep[ii]) == 1:
otus.append(genomeid[ii])
return otus, prokotus
def getDlitFids(count, config):
''' Query the CDMI for a list of feature IDs with direct literature evidence (dlits).
@param count Number of entities to retrieve in each function call
@param config Dictionary of configuration variables
@return List of literature feature IDs
'''
cdmi = CDMI_API(config["cdmi_url"])
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
pubdict = dict()
start = 0
done = False
while not done:
subdict = cdmi_entity.all_entities_Publication(start, count, ["id"])
pubdict.update(subdict)
start += count
if len(subdict) < count:
done = True
pubids = getFieldFromEntity(pubdict, "id")
sys.stderr.write("Found %d publication IDs\n" %(len(pubids)))
pub2seq = cdmi_entity.get_relationship_Concerns(pubids, [], [], ["id"])
pubseqs = getFieldFromRelationship(pub2seq, "id", "to")
sys.stderr.write("Found %d protein sequences from publications\n" %(len(pubseqs)))
seq2fids = cdmi_entity.get_relationship_IsProteinFor(pubseqs, [], [], ["id"])
fids = getFieldFromRelationship(seq2fids, "id", "to")
return fids
def getGenomeNeighborhoodsAndRoles(genomes, config):
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
pegs = genomesToPegs(genomes)
# Get contigs
fidlocdict = cdmi_entity.get_relationship_IsLocatedIn(pegs, [], ["begin", "dir"], ["id"])
fids = getFieldFromRelationship(fidlocdict, "from_link", "rel")
begins = getFieldFromRelationship(fidlocdict, "begin", "rel")
dirs = getFieldFromRelationship(fidlocdict, "dir", "rel")
cids = getFieldFromRelationship(fidlocdict, "id", "to")
tuplist = []
for ii in range(len(cids)):
tuplist.append( (cids[ii], fids[ii], int(begins[ii]), dirs[ii]) )
# Sort by contig first, then by start location.
tuplist = sorted(tuplist, key=operator.itemgetter(0,2))
# Now lets get the role for all of these IDs
# Note that a single protein can have multiple roles.
roledict = cdmi_entity.get_relationship_HasFunctional(fids, [], [], ["id"])
fids = getFieldFromRelationship(roledict, "from_link", "rel")
roles = getFieldFromRelationship(roledict, "id", "to")
fidToRoles = {}
rolesToFids = {}
for ii in range(len(fids)):
if fids[ii] in fidToRoles:
fidToRoles[fids[ii]].append(roles[ii])
else:
fidToRoles[fids[ii]] = [ roles[ii] ]
if roles[ii] in rolesToFids:
rolesToFids[roles[ii]].append(fids[ii])
else:
rolesToFids[roles[ii]] = [ fids[ii] ]
return tuplist, fidToRoles
def cds2locus(gids):
cdmie = CDMI_EntityAPI(URLS.cdmi)
mrnas_l = cdmie.get_relationship_IsEncompassedIn(gids, [], ['to_link'], [])
mrnas = dict((i[1]['from_link'], i[1]['to_link']) for i in mrnas_l)
locus_l = cdmie.get_relationship_IsEncompassedIn(mrnas.values(), [], ['to_link'], [])
locus = dict((i[1]['from_link'], i[1]['to_link']) for i in locus_l)
lgids = dict((i,locus[mrnas[i]]) for i in gids if i in mrnas and mrnas[i] in locus)
return lgids
def subsystemFids(count, config):
''' Query the CDMI for a list of feature IDs in the subsystems.
@param count Number of entities to retrieve in each function call
@param config Dictionary of configuration variables
@return List of subsystem feature IDs
'''
cdmi = CDMI_API(config["cdmi_url"])
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# Get the genes that are in subsystems and in OTUs.
ssdict = dict()
start = 0
done = False
while not done:
subdict = cdmi_entity.all_entities_Subsystem(start, count, ["id"])
ssdict.update(subdict)
start += count
if len(subdict) < count:
done = True
ssids = getFieldFromEntity(ssdict, "id")
sys.stderr.write('Found %d subsystems\n' %(len(ssids)))
# Now lets get a list of FIDs within those subsystems
# Break the complete list into smaller sub-lists to avoid timeouts
start = 0
increment = 10
end = start + increment
counter = len(ssids)
ssfids = []
while counter > 0:
try:
ssfiddict = cdmi.subsystems_to_fids(ssids[start:end], [])
except HTTPError as e:
if increment > 1:
increment = increment / 2
end = start + increment
sys.stderr.write("caught '%s' error, increment is now %d\n" %(e.reason, increment))
continue
for key in ssfiddict:
for ssfid in ssfiddict[key]:
ls = ssfiddict[key][ssfid]
for arr in ls:
if len(arr) > 1:
gl = arr[1]
for l in gl:
ssfids.append(l)
# Move to next sub-list
start += increment
end += increment
if end >= len(ssids):
end = len(ssids)
counter -= increment
# Uniquify!
return list(set(ssfids))
def fidsToRoles(fidlist, config):
''' Given a list of feature IDs return a dictionary from FID to the list of roles the encoding gene
performs and a dictionary from roles to the FIDs performing them.
@param fidlist List of feature IDs
@param config Dictionary of configuration variables
@return Dictionary keyed by feature ID of list of roles encoding gene performs, dictionary
keyed by role of list of feature IDs performing the role
'''
cdmi = CDMI_API(config["cdmi_url"])
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# Break the complete list into smaller sub-lists to avoid timeouts
start = 0
increment = 1000
end = start + increment
counter = len(fidlist)
fidsToRoles = {}
rolesToFids = {}
while counter > 0:
try:
roledict = cdmi_entity.get_relationship_HasFunctional(fidlist[start:end], [], [], ["id"])
except HTTPError as e:
if increment > 1:
increment = increment / 2
end = start + increment
sys.stderr.write("caught '%s' error, increment is now %d\n" %(e.reason, increment))
continue
flist = getFieldFromRelationship(roledict, "from_link", "rel")
rolelist = getFieldFromRelationship(roledict, "id", "to")
for ii in range(len(flist)):
# We have to use sets here because a bug(?) in get_relationship_HasFunctional allows multiple identical
# links between fids and roles.
# See for example what happens when you call it on g.9647.peg.2332
if flist[ii] in fidsToRoles:
fidsToRoles[flist[ii]].add(rolelist[ii])
else:
fidsToRoles[flist[ii]] = set([rolelist[ii]])
if rolelist[ii] in rolesToFids:
rolesToFids[rolelist[ii]].add(flist[ii])
else:
rolesToFids[rolelist[ii]] = set([flist[ii]])
# Move to next sub-list
start += increment
end += increment
if end >= len(fidlist):
end = len(fidlist)
counter -= increment
# Convert back to lists to not break other functions.
for f in fidsToRoles:
fidsToRoles[f] = list(fidsToRoles[f])
for r in rolesToFids:
rolesToFids[r] = list(rolesToFids[r])
return fidsToRoles, rolesToFids
def cds2locus(gids):
cdmie = CDMI_EntityAPI(URLS.cdmi)
mrnas_l = cdmie.get_relationship_IsEncompassedIn(gids, [], ['to_link'], [])
mrnas = dict((i[1]['from_link'], i[1]['to_link']) for i in mrnas_l)
locus_l = cdmie.get_relationship_IsEncompassedIn(mrnas.values(), [],
['to_link'], [])
locus = dict((i[1]['from_link'], i[1]['to_link']) for i in locus_l)
lgids = dict(
(i, locus[mrnas[i]]) for i in gids if i in mrnas and mrnas[i] in locus)
return lgids
def complexRoleLinks(count, config):
''' Query the CDM for a list of links from complexes to roles.
Only roles listed as "required" are included in the links.
@note OBSOLETE - will be replaced by Chris's roles_to_reactions() function
@param count Number of entities to retrieve in each function call
@param config Dictionary of configuration variables
@return Dictionary keyed by role of a list of complex IDs, dictionary keyed by
complex ID to a list of roles.
'''
# Get a list of complexes
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
cplxdict = dict()
start = 0
done = False
while not done:
subdict = cdmi_entity.all_entities_Complex(start, count, ["id"])
cplxdict.update(subdict)
start += count
if len(subdict) < count:
done = True
cplxlist = getFieldFromEntity(cplxdict, "id")
# Get a list of roles linked to those complexes
roledict = cdmi_entity.get_relationship_IsTriggeredBy(cplxlist, [], ["optional"], ["id"])
cplx = getFieldFromRelationship(roledict, "from_link", "rel")
opt = getFieldFromRelationship(roledict, "optional", "rel")
role = getFieldFromRelationship(roledict, "id", "to")
complexToRequiredRoles = {}
requiredRolesToComplex = {}
for ii in range(len(cplx)):
# For now - we don't want to deal with the "optional" components. I'm not sure how I'd incorporate them into a likelihood calculation anyway.
if int(opt[ii]) == 1:
continue
# Note - this becomes an all-AND GPR - (role1 AND role2 AND ... )
if cplx[ii] in complexToRequiredRoles:
complexToRequiredRoles[cplx[ii]].append(role[ii])
else:
complexToRequiredRoles[cplx[ii]] = [ role[ii] ]
if role[ii] in requiredRolesToComplex:
requiredRolesToComplex[role[ii]].append(cplx[ii])
else:
requiredRolesToComplex[role[ii]] = [ cplx[ii] ]
return complexToRequiredRoles, requiredRolesToComplex
def genelist2fs(gl):
qid2cds = ids2cds(gl)
fs = {"description" : "Feature set generated by " + ",".join(gl),
"elements" : {}
}
cdmie = CDMI_EntityAPI(URLS.cdmi)
cdmic = CDMI_API(URLS.cdmi)
cds_ids = qid2cds.values()
cds2l = cds2locus(cds_ids);
lfunc = cdmic.fids_to_functions(cds2l.values())
fm = cdmie.get_entity_Feature(cds_ids,['feature_type', 'source_id', 'sequence_length', 'function', 'alias'])
for i in cds_ids:
if i in fm:
if not fm[i]['function'] and cds2l[i] in lfunc:
fm[i]['function'] = lfunc[cds2l[i]]
fs['elements'][i] = {"data" : { 'type' : fm[i]['feature_type'], 'id' : i, 'dna_sequence_length' : int(fm[i]['sequence_length']), 'function' : fm[i]['function'], 'aliases' : fm[i]['alias']}}
return fs
def genomesToPegs(genomes, config):
''' Given a list of genome IDs, returns a list of feature IDs for protein-encoding genes in the specified genomes.
@param genomes List of genome IDs
@param config Dictionary of configuration variables
@return List of feature IDs for protein-encoding genes in specified genomes
'''
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
fiddict = cdmi_entity.get_relationship_IsOwnerOf(genomes, [], [], ["id", "feature_type"])
fidlist = getFieldFromRelationship(fiddict, "id", "to")
typelist = getFieldFromRelationship(fiddict, "feature_type", "to")
# We want protein-encoding genes only (not e.g. operons, operators, etc...)
# The type of protein-encoding genes is CDS now but will possibly be changed to peg later...
pegs = []
for ii in range(len(fidlist)):
if typelist[ii] == "peg" or typelist[ii] == "CDS":
pegs.append(fidlist[ii])
return pegs
def reactionComplexLinks(count, config):
''' Query the CDM for a list of links from reactions to complexes.
@note OBSOLETE - will be replaced by Chris's roles_to_reactions() function
@param count Number of entities to retrieve in each function call
@param config Dictionary of configuration variables
@return Dictionary keyed by reaction ID to lists of complexes performing them,
dictionary keyed by complex ID to list of reactions they perform.
'''
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# The API was recently changed to use model IDs and to not use the reactions_to_complexes
# but use the ER model instead.
# I reflect that here...
rxndict = dict()
start = 0
done = False
while not done:
subdict = cdmi_entity.all_entities_Reaction(start, count, ['id'])
rxndict.update(subdict)
start += count
if len(subdict) < count:
done = True
rxns = getFieldFromEntity(rxndict, "id")
cplxdict = cdmi_entity.get_relationship_IsStepOf(rxns, [], [], ["id"])
rxnlist = getFieldFromRelationship(cplxdict, "from_link", "rel")
cplxlist = getFieldFromRelationship(cplxdict, "id", "to")
rxnToComplex = {}
complexToRxn = {}
for ii in range(len(rxnlist)):
if rxnlist[ii] in rxnToComplex:
rxnToComplex[rxnlist[ii]].append(cplxlist[ii])
else:
rxnToComplex[rxnlist[ii]] = [ cplxlist[ii] ]
if cplxlist[ii] in complexToRxn:
complexToRxn[cplxlist[ii]].append(rxnlist[ii])
else:
complexToRxn[cplxlist[ii]] = [ rxnlist[ii] ]
return rxnToComplex, complexToRxn
def filterFidsByOtus(fidlist, otus, config):
'''
Obsolete (I think this isn't used any more)
Given a list of representative organism IDs (OTUs) and a list of
FIDs, returns only those FIDs found in an OTU.'''
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# Identify the organism belonging to each fid
# If this fails to find an organism we don't want it anyway...
orgdict = cdmi_entity.get_relationship_IsOwnedBy(fidlist, [], [], ["id"])
flist = getFieldFromRelationship(orgdict, "from_link", "rel")
olist = getFieldFromRelationship(orgdict, "id", "to")
fids = []
for ii in range(len(olist)):
if olist[ii] in otus:
fids.append(flist[ii])
return fids
def addRxnProbabilitiesToBiochemistryJson(reaction_probability_file, biochemistry_json_file, output_file):
'''Searches the biochemistry JSON for reaction UUIDs.
A dictionary is created (using the alias table for 'modelSEED' from reaction UUID
to modelSEED ID, and another from modelSEED IDs to KBase reaction IDs.
If we managed to get a probability for that reaction, we print that (even if it is 0 - which
means that the complex was defined but not found in the organism) along with the proposed GPR
which is just a string.
The probability of the reaction is in the 'probability' field while the GPR is in the 'GPR' field in
the modified biochemistry json file.
If we did NOT calculate a probability for a particular reaction that means no complexes are defined
for it and we print -5 to indicate that those have '0 probability' but due to database limitations
rather than due to lack of genetic evidence...'''
if os.path.exists(output_file):
sys.stderr.write("Modified biochemistry JSON file %s already exists!\n" %(output_file))
exit(2)
# KBase ID --> (probability, complex_info, GPR)
kbaseIdToInfo = {}
for line in open(reaction_probability_file, "r"):
spl = line.strip("\r\n").split("\t")
kbaseIdToInfo[spl[0]] = ( spl[1], spl[3], spl[4] )
# Model ID --> Kbase ID
cdmi_entity = CDMI_EntityAPI(CDMI_URL)
rxniddict = cdmi_entity.all_entities_Reaction(MINN, COUNT, ["source_id"])
kbaseIds = getFieldFromEntity(rxniddict, "id")
modelIds = getFieldFromEntity(rxniddict, "source_id")
modelToKbase = {}
for ii in range(len(modelIds)):
modelToKbase[modelIds[ii]] = kbaseIds[ii]
# Different biochemistries will (I think?) have different UUIDs
# for all the reactions in them... but they will have links set up
# to the model IDs. At least, I HOPE so.
resp = json.load(open(biochemistry_json_file, "r"))
# UUID --> Model ID
aliasSetList = resp["aliasSets"]
uuidToModelId = {}
for aliasSet in aliasSetList:
if aliasSet["source"] == "ModelSEED" and aliasSet["attribute"] == "reactions":
aliasDict = aliasSet["aliases"]
for k in aliasDict:
# aliasDict is really a dict from reaction id to a LIST of UUIDs, implying that
# it is possible that more than one UUID goes with the same reaction ID.
# If that happens (WHY?????) then I'll just assign all of them the probability
# of that reaction.
for uuid in aliasDict[k]:
uuidToModelId[uuid] = k
# We found the one we need, no need to go through the rest of them...
break
# Now we need to iterate over all of the reactions and add the appropriate probabilities
# to each of these.
rxnList = resp["reactions"]
for ii in range(len(rxnList)):
myuuid = rxnList[ii]["uuid"]
myProbability = 0
myComplexInfo = ""
myGPR = ""
# These flags indicate database issues that could bias the probabilities.
#
# If all of them are FALSE or if only reactionHasComplex is true, the probability will be 0
# but it is due to missing data.
#
# If only allComplexesHaveRepresentativeRoles is false, that only means there is some missing data
# but still enough to test presence of some subunits of some complexes.
reactionHasComplex = False
oneComplexHasRepresentativeRoles = False
allComplexesHaveRepresentativeRoles = False
# If the database versions are consistent this should always be the case
if myuuid in uuidToModelId:
modelId = uuidToModelId[myuuid]
if modelId in modelToKbase:
kbaseId = modelToKbase[modelId]
# This one is only the case if there are complexes associated with the reaction
if kbaseId in kbaseIdToInfo:
reactionHasComplex = True
''' There are three possibilities for each complex.
1: The roles attached to the complex had no representatives in our BLAST db (BAD)
2: The roles attached to the complex had representatives, but they were not found in
our BLAST search (OK)
3: The roles attached were all found with some probability in the BLAST search (OK)
Since there are multiple possibilities for complexes we need to decide when we should
call it OK and when we can't.
For now I will set separate flags for the occasion when one complex has roles and one doesn't
(and the calculated probability is for the complex with a probability)
and the occasion when NONE of the complexes have representeatives of their roles
(and the calculated probability is artificially 0)
PARTIAL cases are treated as "has representatives" for this purpose.
Therefore, if only allComplexesHaveRepresentativeRoles is false, that means
there is incomplete information, but at least one subunit of one complex attached
to the reaction had a representative that we could use to calculate a probability.
'''
# CPLX_FULL [ok]
# CPLX_NOTTHERE [ok]
# CPLX_PARTIAL [sort of ok - treated as OK for this purpose]
# CPLX_NOREPS [bad]
myProbability = kbaseIdToInfo[kbaseId][0]
myGPR = kbaseIdToInfo[kbaseId][2]
myComplexInfo = kbaseIdToInfo[kbaseId][1]
if "CPLX_NOREPS" in myComplexInfo:
if "CPLX_FULL" in myComplexInfo or "CPLX_NOTTHERE" in myComplexInfo or "CPLX_PARTIAL" in myComplexInfo:
oneComplexHasRepresentativeRoles = True
else:
# No complexes have representative roles.
pass
else:
# All of them are either CPLX_FULL or CPLX_NOTTHERE
oneComplexHasRepresentativeRoles = True
allComplexesHaveRepresentativeRoles = True
resp["reactions"][ii]["probability"] = myProbability
resp["reactions"][ii]["complexinfo"] = myComplexInfo
resp["reactions"][ii]["GPR"] = myGPR
resp["reactions"][ii]["reactionHasComplex"] = reactionHasComplex
resp["reactions"][ii]["oneComplexHasRepresentativeRoles"] = oneComplexHasRepresentativeRoles
resp["reactions"][ii]["allComplexesHaveRepresentativeRoles"] = allComplexesHaveRepresentativeRoles
json.dump(resp, open(output_file, "w"), indent=4)
def calculate(self, ctx, input):
# ctx is the context object
# return variables are: output
#BEGIN calculate
''' Compute reaction probabilities from a probabilistic annotation.
The input dictionary must contain the following keys:
probanno: Name of ProbAnno object to input
probanno_workspace: Workspace from which to grab the ProbAnno object
rxnprobs: Name of RxnProbs object
rxnprobs_workspace: Workspace to which to save the RxnProbs object
The following keys are optional:
verbose: Print lots of messages on the progress of the algorithm
template_model: Name of TemplateModel object
template_workspace: Workspace from which to grab TemplateModel object
@param ctx Current context object
@param input Dictionary with input parameters for function
@return Object info for RxnProbs object
@raise WrongVersionError when ProbAnno object version number is invalid
@raise ValueError when template_workspace input argument is not specified
'''
# Sanity check on input arguments
input = self._checkInputArguments(ctx, input,
["probanno", "probanno_workspace", "rxnprobs", "rxnprobs_workspace"],
{ "verbose" : False ,
"template_model" : None,
"template_workspace" : None
}
)
# Make sure the static database files are ready.
self._checkDatabaseFiles(ctx)
# Set log level to INFO when verbose parameter is enabled.
if input['verbose']:
ctx.set_log_level(log.DEBUG)
# Create a workspace client.
wsClient = Workspace(self.config["workspace_url"], token=ctx['token'])
# Get the ProbAnno object from the specified workspace.
probannoObjectId = make_object_identity(input["probanno_workspace"], input["probanno"])
objectList = wsClient.get_objects( [ probannoObjectId ] )
probannoObject = objectList[0]
if probannoObject['info'][2] != ProbAnnoType:
message = "ProbAnno object type %s is not %s for object %s" %(probannoObject['info'][2], ProbAnnoType, probannoObject['info'][1])
ctx.log_err(message)
raise WrongVersionError(message)
genome = probannoObject["data"]["genome"]
# Create a temporary directory for storing intermediate files when debug is turned on.
if ctx.get_log_level() >= log.DEBUG2:
workFolder = tempfile.mkdtemp("", "calculate-%s-" %(genome), self.config["work_folder_path"])
ctx.log_debug('Intermediate files saved in '+workFolder)
else:
workFolder = None
# When a template model is specified, use it to build dictionaries for roles,
# complexes, and reactions instead of retrieving from static database files.
complexesToRoles = None
reactionsToComplexes = None
if input["template_model"] is not None or input["template_workspace"] is not None:
if not(input["template_model"] is not None and input["template_workspace"] is not None) :
message = "Template model workspace is required if template model ID is provided"
ctx.log_err(message)
raise ValueError(message)
# Create a dictionary to map a complex to a list of roles and a dictionary
# to map a reaction to a list of complexes. The dictionaries are specific to
# the specified template model instead of covering everything in the central
# data model.
complexesToRoles = dict()
reactionsToComplexes = dict()
# Get the list of RoleComplexReactions for the template model from the
# fba modeling service. The RoleComplexReactions structure has a list
# of ComplexReactions structures for the given role. And each ComplexReactions
# structure has a list of reactions for the given complex.
fbaClient = fbaModelServices(self.config['fbamodeling_url'], token=ctx['token'])
roleComplexReactionsList = fbaClient.role_to_reactions( { 'templateModel': input['template_model'], 'workspace': input['template_workspace'] } )
# Build the two dictionaries from the returned list.
for rcr in roleComplexReactionsList:
for complex in rcr['complexes']:
complexId = re.sub(r'cpx0*(\d+)', r'kb|cpx.\1', complex['name']) # Convert ModelSEED format to KBase format
if complexId in complexesToRoles:
complexesToRoles[complexId].append(rcr['name'])
else:
complexesToRoles[complexId] = [ rcr['name'] ]
for reaction in complex['reactions']:
reactionId = reaction['reaction']
if reactionId in reactionsToComplexes:
reactionsToComplexes[reactionId].append(complexId)
else:
reactionsToComplexes[reactionId] = [ complexId ]
# Calculate per-gene role probabilities.
roleProbs = self._rolesetProbabilitiesToRoleProbabilities(ctx, input, genome, probannoObject["data"]["roleset_probabilities"], workFolder)
# Calculate whole cell role probabilities.
# Note - eventually workFolder will be replaced with a rolesToReactions call
totalRoleProbs = self._totalRoleProbabilities(ctx, input, genome, roleProbs, workFolder)
# Calculate complex probabilities.
complexProbs = self._complexProbabilities(ctx, input, genome, totalRoleProbs, workFolder, complexesToRequiredRoles = complexesToRoles)
# Calculate reaction probabilities.
reactionProbs = self._reactionProbabilities(ctx, input, genome, complexProbs, workFolder, rxnsToComplexes = reactionsToComplexes)
# If the reaction probabilities were not calculated using the data from the fba modeling service
# via the template model, we need to convert from the KBase ID format to the ModelSEED format.
if input["template_model"] is None:
reactionList = list()
for index in range(len(reactionProbs)):
reactionList.append(reactionProbs[index][0])
EntityAPI = CDMI_EntityAPI(self.config["cdmi_url"])
numAttempts = 4
while numAttempts > 0:
try:
numAttempts -= 1
reactionData = EntityAPI.get_entity_Reaction( reactionList, [ "source_id" ] )
if len(reactionList) == len(reactionData):
numAttempts = 0
except HTTPError as e:
pass
for index in range(len(reactionProbs)):
rxnId = reactionProbs[index][0]
reactionProbs[index][0] = reactionData[rxnId]['source_id']
# Create a reaction probability object
objectData = dict()
objectData["genome"] = probannoObject["data"]["genome"]
objectData['genome_workspace'] = probannoObject['data']['genome_workspace']
if input["template_model"] is None:
objectData['template_model'] = 'None'
else:
objectData["template_model"] = input["template_model"]
if input["template_workspace"] is None:
objectData['template_workspace'] = 'None'
else:
objectData["template_workspace"] = input["template_workspace"]
objectData["probanno"] = input['probanno']
objectData['probanno_workspace'] = input['probanno_workspace']
objectData["id"] = input["rxnprobs"]
objectData["reaction_probabilities"] = reactionProbs
objectMetaData = { "num_reaction_probs": len(objectData["reaction_probabilities"]) }
objectProvData = dict()
objectProvData['time'] = timestamp(0)
objectProvData['service'] = os.environ['KB_SERVICE_NAME']
objectProvData['service_ver'] = ServiceVersion
objectProvData['method'] = 'calculate'
objectProvData['method_params'] = input.items()
objectProvData['input_ws_objects'] = [ '%s/%s/%d' %(probannoObject['info'][7], probannoObject['info'][1], probannoObject['info'][4]) ]
objectSaveData = dict();
objectSaveData['type'] = RxnProbsType
objectSaveData['name'] = input["rxnprobs"]
objectSaveData['data'] = objectData
objectSaveData['meta'] = objectMetaData
objectSaveData['provenance'] = [ objectProvData ]
objectInfo = wsClient.save_objects( { 'workspace': input["rxnprobs_workspace"], 'objects': [ objectSaveData ] } )
output = objectInfo[0]
#END calculate
# At some point might do deeper type checking...
if not isinstance(output, list):
raise ValueError('Method calculate return value ' +
'output is not type list as required.')
# return the results
return [output]
def go_anno_net(meth, net_obj_id=None):
"""Add Gene Ontology annotation to network gene nodes
:param net_obj_id: Network object id
:type net_obj_id: kbtypes.KBaseNetworks.Network
:return: Workspace id
:rtype: kbtypes.Unicode
:output_widget: ValueListWidget
"""
meth.stages = 5
meth.advance("Prepare annotation service")
#gc = GWAS(URLS.gwas, token=meth.token)
# load from current or other workspace
wsid = meth.workspace_id
# save to current workspace
ws_save_id = meth.workspace_id
meth.advance("Load network object")
wsd = Workspace2(token=meth.token, wsid=wsid)
oc = Ontology(url=URLS.ontology)
net_object = wsd.get(net_obj_id)
nc = Node(net_object['nodes'], net_object['edges'])
idc = IDServerAPI(URLS.ids)
cdmic = CDMI_API(URLS.cdmi)
cdmie = CDMI_EntityAPI(URLS.cdmi)
#idm = IdMap(URLS.idmap)
gids = [
i for i in sorted(nc.ugids.keys()) if 'CDS' in i or 'locus' in i or (
not 'clst' in i and not i.startswith('cluster') and 'ps.' not in i)
]
meth.advance("Get relationships from central data model")
#eids = idc.kbase_ids_to_external_ids(gids)
eids = kb_id2ext_id(idc, gids, 100)
gids2cds = ids2cds(gids)
cgids = gids2cds.values()
cds2l = cds2locus(cgids)
#mrnas_l = cdmie.get_relationship_Encompasses(gids, [], ['to_link'], [])
#mrnas = dict((i[1]['from_link'], i[1]['to_link']) for i in mrnas_l)
#locus_l = cdmie.get_relationship_Encompasses(mrnas.values(), [], ['to_link'], [])
#locus = dict((i[1]['from_link'], i[1]['to_link']) for i in locus_l)
#lgids = [locus[mrnas[i]] for i in gids if i in mrnas.keys()] # ignore original locus ids in gids
lgids = cds2l.values()
meth.advance("Annotate ({:d} nodes, {:d} edges)".format(
len(net_object['nodes']), len(net_object['edges'])))
#ots = oc.get_goidlist(lgids, ['biological_process'], ['IEA'])
ots = oc.get_goidlist(cgids, [], [])
oan = () #oc.get_go_annotation(lgids)
funcs = cdmic.fids_to_functions(lgids)
funcs_org = cdmic.fids_to_functions(cgids)
annotate_nodes(net_object,
ots=ots,
oan=oan,
funcs=funcs,
funcs_org=funcs_org,
eids=eids,
gids2cds=gids2cds,
cds2l=cds2l)
meth.advance("Save annotated object to workspace {}".format(ws_save_id))
obj = {
'type': 'KBaseNetworks.Network',
'data': net_object,
'name': net_obj_id + ".ano",
'meta': {
'original': net_obj_id
}
}
wsd.save_objects({'workspace': ws_save_id, 'objects': [obj]})
return _workspace_output(net_obj_id + ".ano")
def filterFidsByOtusBetter(fidsToRoles, rolesToFids, oturepsToMembers, config):
'''Attempt to do a more intelligent filtering of FIDs by OTU.
Given all FIDs attached to a role in the unfiltered set we do the following:
Initialize KEEP
For each OTU and each role:
If role is found in the representative, add to KEEP and continue;
Otherwise, iterate over other genomes.
If role is found in one other genome, add to KEEP and continue;
This process should make our calculation less sensitive to the choice of OTUs...
'''
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# Identify the organism belonging to each fid
# If this fails to find an organism we don't want it anyway...
fidlist = fidsToRoles.keys()
orgdict = []
# Break the complete list into smaller sub-lists to avoid timeouts
start = 0
increment = 5000
end = start + increment
counter = len(fidlist)
while counter > 0:
try:
od = cdmi_entity.get_relationship_IsOwnedBy(fidlist[start:end], [], [], ["id"])
except HTTPError as e:
if increment > 1:
increment = increment / 2
end = start + increment
sys.stderr.write("caught '%s' error, increment is now %d\n" %(e.reason, increment))
continue
orgdict.extend(od)
start += increment
end += increment
if end >= len(fidlist):
end = len(fidlist)
counter -= increment
fidlist = getFieldFromRelationship(orgdict, "from_link", "rel")
orglist = getFieldFromRelationship(orgdict, "id", "to")
fidToOrg = {}
for ii in range(len(fidlist)):
fidToOrg[fidlist[ii]] = orglist[ii]
keptFidsToRoles = {}
keptRolesToFids = {}
# If the OTUs are comprehensive this should be empty.
missingRoles = []
# For each OTU
for oturep in oturepsToMembers:
# for each role
for role in rolesToFids:
fidlist = rolesToFids[role]
keepFid = None
keepRole = None
for fid in fidlist:
# This can happen due to MOL issues
if fid not in fidToOrg:
continue
org = fidToOrg[fid]
# If the organism is the representative we keep it and go to the next role
if org == oturep:
keepFid = fid
keepRole = role
break
# Otherwise look at the rest of the list (note that I just pick one without really paying
# attention to WHICH one...). We save them in case there are no examples of the role in the
# representative organism, but continue on anyway.
if org in oturepsToMembers[oturep]:
keepFid = fid
keepRole = role
if keepFid is not None:
if keepFid in keptFidsToRoles:
keptFidsToRoles[keepFid].append(keepRole)
else:
keptFidsToRoles[keepFid] = [ keepRole ]
if keepRole in keptRolesToFids:
keptRolesToFids[keepRole].append(keepFid)
else:
keptRolesToFids[keepRole] = [ keepFid ]
missingRoles = list(set(rolesToFids.keys()) - set(keptRolesToFids.keys()))
# print oturepsToMembers
# print missingRoles
# print keptRolesToFids
return keptFidsToRoles, keptRolesToFids, missingRoles
def filterFidsByOtusOptimized(featureIdList, rolesToFids, otuRepsToMembers, config):
''' Filter feature IDs by OTU (optimized version).
To minimize the amount of redundancy in the list of target proteins, filter
the feature IDs so there is at most one protein from each OTU for each
functional role.
@param featureIdList List of unfiltered feature IDs
@param rolesToFids Dictionary keyed by role of list of feature IDs
@param otuRepsToMembers Dictionary keyed by OTU representative to list of OTU members
@param config Dictionary of configuration variables
@return Dictionary keyed by feature ID of list of roles, dictionary keyed by role
of list of feature IDs
'''
cdmi_entity = CDMI_EntityAPI(config["cdmi_url"])
# Identify the organism belonging to each feature ID.
# If this fails to find an organism we don't want it anyway...
fidToOrganism = dict() # Map feature IDs to organisms
# Break the complete list into smaller sub-lists to avoid timeouts
start = 0
increment = 100000
end = start + increment
counter = len(featureIdList)
while counter > 0:
try:
ownedBy = cdmi_entity.get_relationship_IsOwnedBy(featureIdList[start:end], [], ['from_link'], ['id'])
except HTTPError as e:
if increment > 1:
increment = increment / 2
end = start + increment
sys.stderr.write("caught '%s' error, increment is now %d\n" %(e.reason, increment))
continue
# just build the dictionary here, run the list of ob, extracting fid from from_link and organism from id
fidList = getFieldFromRelationship(ownedBy, "from_link", "rel")
organismList = getFieldFromRelationship(ownedBy, "id", "to")
for index in range(len(fidList)):
fidToOrganism[fidList[index]] = organismList[index]
start += increment
end += increment
if end >= len(featureIdList):
end = len(featureIdList)
counter -= increment
# Add all possible keys to the dictionaries and initialize the value.
# Then we don't have to check if the key exists in the main loop below.
keptFidsToRoles = dict()
for index in range(len(featureIdList)):
keptFidsToRoles[featureIdList[index]] = list()
keptRolesToFids = dict()
for role in rolesToFids:
keptRolesToFids[role] = list()
# Find the feature ID (protein) from each OTU for each functional role.
otuCounter = 0
for otuRepresentative in otuRepsToMembers:
# This loop takes a very long time so print a message every so often
# to track progress.
otuCounter += 1
if otuCounter % 10 == 0:
sys.stderr.write('Processed %d OTUs at %s\n' %(otuCounter, now()))
# Check every functional role.
for role in rolesToFids:
keepFid = None
keepRole = None
for fid in rolesToFids[role]:
# This can happen due to MOL issues
if fid not in fidToOrganism:
continue
organism = fidToOrganism[fid]
# If the organism is the representative we keep it and go to the next role
if organism == otuRepresentative:
keepFid = fid
keepRole = role
break
# Otherwise look at the rest of the list (note that I just pick one without really paying
# attention to WHICH one...). We save them in case there are no examples of the role in the
# representative organism, but continue on anyway.
if organism in otuRepsToMembers[otuRepresentative]:
keepFid = fid
keepRole = role
# Add to the dictionaries if we are keeping the feature ID.
if keepFid is not None:
keptFidsToRoles[keepFid].append(keepRole)
keptRolesToFids[keepRole].append(keepFid)
# Look for any empty lists and remove them.
keysToRemove = list()
for fid in keptFidsToRoles:
if len(keptFidsToRoles[fid]) == 0:
keysToRemove.append(fid)
for key in keysToRemove:
del keptFidsToRoles[key]
keysToRemove = list()
for role in keptRolesToFids:
if len(keptRolesToFids[role]) == 0:
keysToRemove.append(role)
for key in keysToRemove:
del keptRolesToFids[key]
return keptFidsToRoles, keptRolesToFids
