class PathwayCommons():
"""Interface to the `PathwayCommons <http://www.pathwaycommons.org/about>`_ service
>>> from bioservices import *
>>> pc2 = PathwayCommons(verbose=False)
>>> res = pc2.get("http://identifiers.org/uniprot/Q06609")
.. todo:: traverse() method not implemented.
"""
#: valid formats
_valid_format = ["GSEA", "SBGN", "BIOPAX", "SIF", "TXT", "JSONLD"]
_valid_directions = ["BOTHSTREAM", "UPSTREAM", "DOWNSTREAM", "UNDIRECTED"]
_valid_patterns = [
"CONTROLS_STATE_CHANGE_OF", "CONTROLS_PHOSPHORYLATION_OF",
"CONTROLS_TRANSPORT_OF", "CONTROLS_EXPRESSION_OF",
"IN_COMPLEX_WITH", "INTERACTS_WITH", "CATALYSIS_PRECEDES", "NEIGHBOR_OF",
"CONSUMPTION_CONTROLLED_BY", "CONTROLS_TRANSPORT_OF_CHEMICAL",
"CONTROLS_PRODUCTION_OF",
"CHEMICAL_AFFECTS", "REACTS_WITH", "USED_TO_PRODUCE"]
_url = "https://www.pathwaycommons.org"
def __init__(self, verbose=True, cache=False):
""".. rubric:: Constructor
:param bool verbose: prints informative messages
"""
self.easyXMLConversion = False
self._default_extension = "json"
self.services = REST(name='PathwayCommons', url=PathwayCommons._url,
verbose=verbose, cache=cache)
# just a get/set to the default extension
def _set_default_ext(self, ext):
self.services.devtools.check_param_in_list(ext, ["json", "xml"])
self._default_extension = ext
def _get_default_ext(self):
return self._default_extension
default_extension = property(_get_default_ext, _set_default_ext,
doc="set extension of the requests (default is json). Can be 'json' or 'xml'")
def search(self, q, page=0, datasource=None, organism=None, type=None):
"""Text search in PathwayCommons using Lucene query syntax
Some of the parameters are BioPAX properties, others are composite
relationships.
All index fields are (case-sensitive): comment, ecnumber,
keyword, name, pathway, term, xrefdb, xrefid, dataSource, and organism.
The pathway field maps to all participants of pathways that contain
the keyword(s) in any of its text fields.
Finally, keyword is a transitive aggregate field that includes all
searchable keywords of that element and its child elements.
All searches can also be filtered by data source and organism.
It is also possible to restrict the domain class using the
'type' parameter.
This query can be used standalone or to retrieve starting points
for graph searches.
:param str q: requires a keyword , name, external identifier, or a
Lucene query string.
:param int page: (N>=0, default is 0), search result page number.
:param str datasource: filter by data source (use names or URIs of
pathway data sources or of any existing Provenance object). If
multiple data source values are specified, a union of hits from
specified sources is returned. datasource=[reactome,pid] returns
hits associated with Reactome or PID.
:param str organism: The organism can be specified either by
official name, e.g. "h**o sapiens" or by NCBI taxonomy id,
e.g. "9606". Similar to data sources, if multiple organisms
are declared a union of all hits from specified organisms
is returned. For example organism=[9606, 10016] returns results
for both human and mice.
:param str type: BioPAX class filter. (e.g., 'pathway', 'proteinreference')
.. doctest::
>>> from bioservices import PathwayCommons
>>> pc2 = PathwayCommons(vverbose=False)
>>> pc2.search("Q06609")
>>> pc2.search("brca2", type="proteinreference",
organism="h**o sapiens", datasource="pid")
>>> pc2.search("name:'col5a1'", type="proteinreference", organism=9606)
>>> pc2.search("a*", page=3)
Find the FGFR2 keyword::
pc2.search("FGFR2")
Find pathways by FGFR2 keyword in any index field.::
pc2.search("FGFR2", type="pathway")
Finds control interactions that contain the word binding but not
transcription in their indexed fields::
pc2.search("binding NOT transcription", type="control")
Find all interactions that directly or indirectly participate
in a pathway that has a keyword match for "immune" (Note the star after
immune):
pc.search("pathway:immune*", type="conversion")
Find all Reactome pathways::
pc.search("*", type="pathway", datasource="reactome")
"""
if self.default_extension == "xml":
url = "pc2/search.xml?q=%s" % q
elif self.default_extension == "json":
url = "pc2/search.json?q=%s" % q
params = {}
if page>=0:
params['page'] = page
else:
self.services.logging.warning("page should be >=0")
if datasource:
params['datasource'] = datasource
if type:
params['type'] = type
if organism:
params['organism'] = organism
res = self.services.http_get(url, frmt=self.default_extension,
params=params)
#if self.default_extension == "json":
# res = json.loads(res)
if self.default_extension == "xml":
res = self.easyXML(res)
return res
def get(self, uri, frmt="BIOPAX"):
"""Retrieves full pathway information for a set of elements
elements can be for example pathway, interaction or physical
entity given the RDF IDs. Get commands only
retrieve the BioPAX elements that are directly mapped to the ID.
Use the :meth:`traverse` query to traverse BioPAX graph and
obtain child/owner elements.
:param str uri: valid/existing BioPAX element's URI (RDF ID; for
utility classes that were "normalized", such as entity refereneces
and controlled vocabularies, it is usually a Identifiers.org URL.
Multiple IDs can be provided using list
uri=[http://identifiers.org/uniprot/Q06609,
http://identifiers.org/uniprot/Q549Z0']
See also about MIRIAM and Identifiers.org.
:param str format: output format (values)
:return: a complete BioPAX representation for the record
pointed to by the given URI is returned. Other output
formats are produced by converting the BioPAX record on
demand and can be specified by the optional format
parameter. Please be advised that with some output formats
it might return "no result found" error if the conversion is
not applicable for the BioPAX result. For example,
BINARY_SIF output usually works if there are some
interactions, complexes, or pathways in the retrieved set
and not only physical entities.
.. doctest::
>>> from bioservices import PathwayCommons
>>> pc2 = PathwayCommons(verbose=False)
>>> res = pc2.get("col5a1")
>>> res = pc2.get("http://identifiers.org/uniprot/Q06609")
"""
self.services.devtools.check_param_in_list(frmt, self._valid_format)
# validates the URIs
if isinstance(uri, str):
url = "pc2/get?uri=" +uri
elif instance(uri, list):
url = "pc2/get?uri=" +uri[0]
if len(uri)>1:
for u in uri[1:]:
url += "&uri=" + u
# ?uri=http://identifiers.org/uniprot/Q06609
# http://www.pathwaycommons.org/pc2/get?uri=COL5A1
if frmt != "BIOPAX":
url += "&format=%s" % frmt
if frmt.lower() in ["biopax", "sbgn"]:
frmt = "xml"
else:
frmt = "txt"
res = self.services.http_get(url, frmt=frmt)
return res
def top_pathways(self, query="*", datasource=None, organism=None):
"""This command returns all *top* pathways
Pathways can be top or pathways that are neither
'controlled' nor 'pathwayComponent' of another process.
:param query: a keyword, name, external identifier or lucene query
string like in 'search'. Default is "*"
:param str datasource: filter by data source (same as search)
:param str organism: organism filter. 9606 for human.
:return: dictionary with information about top pathways. Check the
"searchHit" key for information about "dataSource" for instance
.. doctest::
>>> from bioservices import PathwayCommons
>>> pc2 = PathwayCommons(verbose=False)
>>> res = pc2.top_pathways()
https://www.pathwaycommons.org/pc2/top_pathways?q=TP53
"""
if self.default_extension == "json":
url = "pc2/top_pathways.json"
else:
url = "pc2/top_pathways"
params = {}
if datasource:
params['datasource'] = datasource
if organism:
params['organism'] = organism
params['q'] = query
res = self.services.http_get(url, frmt=self.default_extension,
params=params)
if self.default_extension == "xml":
res = self.easyXML(res)
return res
def graph(self, kind, source, target=None, direction=None, limit=1,
frmt=None, datasource=None, organism=None):
"""Finds connections and neighborhoods of elements
Connections can be for example the shortest path between two proteins
or the neighborhood for a particular protein state or all states.
Graph searches take detailed BioPAX semantics such as generics or
nested complexes into account and traverse the graph accordingly.
The starting points can be either physical entites or entity references.
In the case of the latter the graph search starts from ALL
the physical entities that belong to that particular entity references,
i.e. all of its states. Note that we integrate BioPAX data from
multiple databases based on our proteins and small molecules data
warehouse and consistently normalize UnificationXref, EntityReference,
Provenance, BioSource, and ControlledVocabulary objects when we are
absolutely sure that two objects of the same type are equivalent. We,
however, do not merge physical entities and reactions from different
sources as matching and aligning pathways at that level is still an
open research problem. As a result, graph searches can return
several similar but disconnected sub-networks that correspond to
the pathway data from different providers (though some physical
entities often refer to the same small molecule or protein reference
or controlled vocabulary).
:param str kind: graph query
:param str source: source object's URI/ID. Multiple source URIs/IDs
must be encoded as list of valid URI
**source=['http://identifiers.org/uniprot/Q06609',
'http://identifiers.org/uniprot/Q549Z0']**.
:param str target: required for PATHSFROMTO graph query. target
URI/ID. Multiple target URIs must be encoded as list (see source
parameter).
:param str direction: graph search direction in [BOTHSTREAM,
DOWNSTREAM, UPSTREAM] see :attr:`_valid_directions` attribute.
:param int limit: graph query search distance limit (default = 1).
:param str format: output format. see :attr:`_valid-format`
:param str datasource: datasource filter (same as for 'search').
:param str organism: organism filter (same as for 'search').
:return: By default, graph queries return a complete BioPAX
representation of the subnetwork matched by the algorithm.
Other output formats are available as specified by the optional
format parameter. Please be advised that some output format
choices might cause "no result found" error if the conversion
is not applicable for the BioPAX result (e.g., BINARY_SIF output
fails if there are no interactions, complexes, nor pathways
in the retrieved set).
.. doctest::
>>> from bioservices import PathwayCommons
>>> pc2 = PathwayCommons(verbose=False)
>>> res = pc2.graph(source="http://identifiers.org/uniprot/P20908",
kind="neighborhood", format="EXTENDED_BINARY_SIF")
"""
url = "pc2/graph"
params = {}
params['source'] = source
params['kind'] = kind
params['limit'] = limit
params = {}
if target:
params['target'] = target
if frmt:
params['format'] = frmt
if datasource:
params['datasource'] = datasource
if organism:
params['organism'] = organism
res = self.services.http_get(url, frmt="txt", params=params)
return res
def traverse(self, uri, path):
"""Provides XPath-like access to the PC.
The format of the path query is in the form::
[InitialClass]/[property1]:[classRestriction(optional)]/[property2]... A "*"
sign after the property instructs path accessor to transitively traverse
that property. For example, the following path accessor will traverse
through all physical entity components within a complex::
"Complex/component*/entityReference/xref:UnificationXref"
The following will list display names of all participants of
interactions, which are components (pathwayComponent) of a pathway
(note: pathwayOrder property, where same or other interactions can be
reached, is not considered here)::
"Pathway/pathwayComponent:Interaction/participant*/displayName"
The optional parameter classRestriction allows to restrict/filter the
returned property values to a certain subclass of the range of that
property. In the first example above, this is used to get only the
Unification Xrefs. Path accessors can use all the official BioPAX
properties as well as additional derived classes and parameters in
paxtools such as inverse parameters and interfaces that represent
anonymous union classes in OWL. (See Paxtools documentation for more
details).
:param str uri: a biopax element URI - specified similar to the 'GET'
command. multiple IDs are allowed as a list of strings.
:param str path: a BioPAX propery path in the form of
property1[:type1]/property2[:type2]; see above, inverse
properties, Paxtools,
org.biopax.paxtools.controller.PathAccessor.
.. seealso:: `properties
<http://www.pathwaycommons.org/pc2/#biopax_properties>`_
:return: XML result that follows the Search Response XML Schema
(TraverseResponse type; pagination is disabled: returns all values at
once)
::
from bioservices import PathwayCommons
pc2 = PathwayCommons(verbose=False)
res = pc2.traverse(uri=['http://identifiers.org/uniprot/P38398','http://identifiers.org/uniprot/Q06609'], path="ProteinReference/organism")
res = pc2.traverse(uri="http://identifiers.org/uniprot/Q06609",
path="ProteinReference/entityReferenceOf:Protein/name")
res = pc2.traverse("http://identifiers.org/uniprot/P38398",
path="ProteinReference/entityReferenceOf:Protein")
res = pc2.traverse(uri=["http://identifiers.org/uniprot/P38398",
"http://identifiers.org/taxonomy/9606"], path="Named/name")
"""
url = "pc2/traverse?"
if isinstance(uri, str):
url += "?uri=" + uri
elif isinstance(uri, list):
url += "?uri=" + uri[0]
for u in uri[1:]:
url += "&uri=" + u
url += "&path=" + path
res = self.services.http_get(url, frmt="json")
return res
def get_sifgraph_neighborhood(self, source, limit=1, direction="BOTHSTREAM", pattern=None):
"""finds the neighborhood sub-network in the Pathway Commons Simple Interaction
Format (extented SIF) graph (see http://www.pathwaycommons.org/pc2/formats#sif)
:param source: set of gene identifiers (HGNC symbol). Can be a list of
identifiers or just one string(if only one identifier)
:param int limit: Graph traversal depth. Limit > 1 value can result
in very large data or error.
:param str direction: Graph traversal direction. Use UNDIRECTED if you want
to see interacts-with relationships too.
:param str pattern: Filter by binary relationship (SIF edge) type(s).
one of "BOTHSTREAM", "UPSTREAM", "DOWNSTREAM", "UNDIRECTED".
returns: the graph in SIF format. The output must be stripped and
returns one line per relation. In each line, items are separated by
a tabulation. You can save the text with .sif extensions and it
should be ready to use e.g. in cytoscape viewer.
::
res = pc.get_sifgraph_neighborhood('BRD4')
"""
self.services.devtools.check_param_in_list(direction, self._valid_directions)
if pattern:
self.services.devtools.check_param_in_list(pattern, self._valid_patterns)
assert limit>=1
if isinstance(source, str):
source = [source]
assert isinstance(source, list)
source = ",".join(source)
params = { "source": source,
"limit": limit,
"direction": direction}
if pattern:
params['pattern'] = pattern
res = self.services.http_get("sifgraph/v1/neighborhood", params=params,
headers=self.services.get_headers(content="text"))
return res.content
def get_sifgraph_common_stream(self, source, limit=1, direction="DOWNSTREAM", pattern=None):
"""finds the common stream for them; extracts a sub-network from the loaded
Pathway Commons SIF model.
:param source: set of gene identifiers (HGNC symbol). Can be a list of
identifiers or just one string(if only one identifier)
:param int limit: Graph traversal depth. Limit > 1 value can result
in very large data or error.
:param str direction: Graph traversal direction. Use UNDIRECTED if you want
to see interacts-with relationships too.
:param str pattern: Filter by binary relationship (SIF edge) type(s).
one of "BOTHSTREAM", "UPSTREAM", "DOWNSTREAM", "UNDIRECTED".
returns: the graph in SIF format. The output must be stripped and
returns one line per relation. In each line, items are separated by
a tabulation. You can save the text with .sif extensions and it
should be ready to use e.g. in cytoscape viewer.
::
res = pc.get_sifgraph_common_stream(['BRD4', 'MYC'])
"""
self.services.devtools.check_param_in_list(direction, self._valid_directions)
if pattern:
self.services.devtools.check_param_in_list(pattern, self._valid_patterns)
assert limit>=1
if isinstance(source, str):
source = [source]
assert isinstance(source, list)
source = ",".join(source)
params = { "source": source,
"limit": limit,
"direction": direction}
if pattern:
params['pattern'] = pattern
res = self.services.http_get("sifgraph/v1/commonstream", params=params,
headers=self.services.get_headers(content="text"))
try:
return res.content
except:
# if no match, returns code 406 and ""
return None
def get_sifgraph_pathsbetween(self, source, limit=1, directed=False, pattern=None):
"""finds the paths between them; extracts a sub-network from the Pathway Commons SIF graph.
:param source: set of gene identifiers (HGNC symbol). Can be a list of
identifiers or just one string(if only one identifier)
:param int limit: Graph traversal depth. Limit > 1 value can result
in very large data or error.
:param bool directed: Directionality: 'true' is for DOWNSTREAM/UPSTREAM, 'false' - UNDIRECTED
:param str pattern: Filter by binary relationship (SIF edge) type(s).
one of "BOTHSTREAM", "UPSTREAM", "DOWNSTREAM", "UNDIRECTED".
returns: the graph in SIF format. The output must be stripped and
returns one line per relation. In each line, items are separated by
a tabulation. You can save the text with .sif extensions and it
should be ready to use e.g. in cytoscape viewer.
"""
if pattern:
self.services.devtools.check_param_in_list(pattern, self._valid_patterns)
assert limit>=1
if isinstance(source, str):
source = [source]
assert isinstance(source, list)
source = ",".join(source)
params = { "source": source,
"limit": limit,
"directed": directed}
if pattern:
params['pattern'] = pattern
res = self.services.http_get("sifgraph/v1/pathsbetween", params=params,
headers=self.services.get_headers(content="text"))
return res.content
def get_sifgraph_pathsfromto(self, source, target, limit=1, pattern=None):
"""finds the paths between them; extracts a sub-network from the Pathway Commons SIF graph.
:param source: set of gene identifiers (HGNC symbol). Can be a list of
identifiers or just one string(if only one identifier)
param target: A target set of gene identifiers.
:param int limit: Graph traversal depth. Limit > 1 value can result
in very large data or error.
:param str pattern: Filter by binary relationship (SIF edge) type(s).
one of "BOTHSTREAM", "UPSTREAM", "DOWNSTREAM", "UNDIRECTED".
returns: the graph in SIF format. The output must be stripped and
returns one line per relation. In each line, items are separated by
a tabulation. You can save the text with .sif extensions and it
should be ready to use e.g. in cytoscape viewer.
"""
if pattern:
self.services.devtools.check_param_in_list(pattern, self._valid_patterns)
assert limit>=1
if isinstance(source, str):
source = [source]
assert isinstance(source, list)
source = ",".join(source)
if isinstance(target, str):
target = [target]
assert isinstance(target, list)
target = ",".join(target)
params = { "source": source,
"target": target,
"limit": limit}
if pattern:
params['pattern'] = pattern
res = self.services.http_get("sifgraph/v1/pathsfromto", params=params,
headers=self.services.get_headers(content="text"))
return res.content
class PDB():
"""Interface to part of the `PDB <http://www.rcsb.org/pdb>`_ service
:Status: in progress not for production. You can get all ID and retrieve
uncompressed file in PDB/FASTA formats for now. New features will be
added on request.
.. doctest::
>>> from bioservices import PDB
>>> s = PDB()
>>> res = s.get_file("1FBV", "pdb")
"""
def __init__(self, verbose=False, cache=False):
""".. rubric:: Constructor
:param bool verbose: prints informative messages (default is off)
"""
url = "http://www.rcsb.org/pdb/rest"
self.services = REST(name="PDB", url=url, verbose=verbose, cache=cache)
def search(self, query):
"""
<?xml version="1.0" encoding="UTF-8"?>
<orgPdbQuery>
<version>B0907</version>
<queryType>org.pdb.query.simple.ExpTypeQuery</queryType>
<description>Experimental Method Search : Experimental Method=SOLID-STATE NMR</description>
<mvStructure.expMethod.value>SOLID-STATE NMR</mvStructure.expMethod.value>
</orgPdbQuery>
"""
res = self.http_post("search", frmt="xml", data=query)
return res
def get_current_ids(self):
"""Get a list of all current PDB IDs."""
res = self.services.http_get("getCurrent", frmt="xml")
res = self.services.easyXML(res)
res = [x.attrib['structureId'] for x in res.getchildren()]
return res
def get_file(self, identifier, frmt, compression=False, headerOnly=False):
"""Download a file in a specified format
:param int identifier: a valid Identifier. See :meth:`get_current_ids`.
:param str fileFormat: a valid format in "pdb", "cif", "xml"
.. doctest::
>>> from bioservices import PDB
>>> s = PDB()
>>> res = s.get_file("1FBV", "pdb")
>>> import tempfile
>>> fh = tempfile.NamedTemporaryFile()
>>> fh.write(res)
>>> # manipulate the PDB file with your favorite tool
>>> # close the file ONLY when finished (this is temporary file)
>>> # fh.close()
reference: http://www.rcsb.org/pdb/static.do?p=download/http/index.html
"""
valid_formats = ["pdb", "cif", "xml"]
self.services.devtools.check_param_in_list(frmt, valid_formats)
self.services.devtools.check_param_in_list(headerOnly, [True, False])
if headerOnly is True:
headerOnly = "YES"
else:
headerOnly = "NO"
query = "files/" + identifier + "." + frmt
if compression is True:
query += ".gz"
params = {'headerOnly': headerOnly}
if frmt == "xml":
res = self.services.http_get(query, frmt=frmt, params=params)
if compression is False:
res = self.easyXML(res)
else:
res = self.services.http_get(query, frmt="txt", params=params)
return res
def get_ligands(self, identifier):
"""List the ligands that can be found in a PDB entry
:param identifier: a valid PDB identifier (e.g., 4HHB)
:return: xml document
>>> from bioservices import PDB
>>> s = PDB()
>>> s.get_ligands("4HHB")
Then, ::
x = s.get_ligands("4HHB")
from pyquery import PyQuery as pq
d = pq(x)
"""
res = self.services.http_get("rest/ligandInfo",
frmt='xml',
params={'structureId': identifier})
return res
def get_xml_query(self, query):
"""Send an XML query
query = '<?xml version="1.0" encoding="UTF-8"?>
<orgPdbQuery>
<version>B0907</version>
<queryType>org.pdb.query.simple.ExpTypeQuery</queryType>
<description>Experimental Method Search : Experimental Method=SOLID-STATE NMR</description>
<mvStructure.expMethod.value>SOLID-STATE NMR</mvStructure.expMethod.value>
</orgPdbQuery>
'
"""
res = self.services.http_post(
"query/post",
data=query,
headers=self.services.get_headers(content='default'))
return res
def get_go_terms(self, query):
res = self.services.http_get("goTerms",
params={"structureId": query},
frmt="xml")
res = self.services.easyXML(res)
try:
return res.content
except:
return res
def get_ligand_info(self, query):
res = self.services.http_get("ligandInfo",
params={"structureId": query},
frmt="xml")
res = self.services.easyXML(res)
try:
return res.content
except:
return res