File: KGML_parser.py

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# Copyright 2013 by Leighton Pritchard.  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 module provides classes and functions to parse a KGML pathway map.

The KGML pathway map is parsed into the object structure defined in
KGML_Pathway.py in this module.

Classes:

    - KGMLParser             Parses KGML file

Functions:

    - read                   Returns a single Pathway object, using KGMLParser
      internally
"""

from __future__ import print_function

try:
    import xml.etree.cElementTree as ElementTree
except ImportError:
    import xml.etree.ElementTree as ElementTree


from Bio._py3k import StringIO

from Bio.KEGG.KGML.KGML_pathway import *


def read(handle, debug=0):
    """Parses a single KEGG Pathway from given file handle.

    Returns a single Pathway object.  There should be one and only
    one pathway in each file, but there may well be pathological
    examples out there.
    """
    iterator = parse(handle, debug)
    try:
        first = next(iterator)
    except StopIteration:
        first = None
    if first is None:
        raise ValueError("No pathways found in handle")
    try:
        second = next(iterator)
    except StopIteration:
        second = None
    if second is not None:
        raise ValueError("More than one pathway found in handle")
    return first


def parse(handle, debug=0):
    """Returns an iterator over Pathway elements.

    Arguments:
    - handle - file handle to a KGML file for parsing
    - debug - integer for amount of debug information to print

    This is a generator for the return of multiple Pathway objects.
    """
    # Check handle
    if not hasattr(handle, 'read'):
        if isinstance(handle, str):
            handle = StringIO(handle)
        else:
            exc_txt = "An XML-containing handle or an XML string " +\
                "must be provided"
            raise Exception(exc_txt)
    # Parse XML and return each Pathway
    for event, elem in \
            ElementTree.iterparse(handle, events=('start', 'end')):
        if event == "end" and elem.tag == "pathway":
            yield KGMLParser(elem).parse()
            elem.clear()


class KGMLParser(object):
    """Parses a KGML XML Pathway entry into a Pathway object."""

    def __init__(self, elem):
        self.entry = elem

    def parse(self):
        """Parse the input elements."""

        def _parse_pathway(attrib):
            for k, v in attrib.items():
                self.pathway.__setattr__(k, v)

        def _parse_entry(element):
            new_entry = Entry()
            for k, v in element.attrib.items():
                new_entry.__setattr__(k, v)
            for subelement in element.getchildren():
                if subelement.tag == 'graphics':
                    _parse_graphics(subelement, new_entry)
                elif subelement.tag == 'component':
                    _parse_component(subelement, new_entry)
            self.pathway.add_entry(new_entry)

        def _parse_graphics(element, entry):
            new_graphics = Graphics(entry)
            for k, v in element.attrib.items():
                new_graphics.__setattr__(k, v)
            entry.add_graphics(new_graphics)

        def _parse_component(element, entry):
            new_component = Component(entry)
            for k, v in element.attrib.items():
                new_component.__setattr__(k, v)
            entry.add_component(new_component)

        def _parse_reaction(element):
            new_reaction = Reaction()
            for k, v in element.attrib.items():
                new_reaction.__setattr__(k, v)
            for subelement in element.getchildren():
                if subelement.tag == 'substrate':
                    new_reaction.add_substrate(int(subelement.attrib['id']))
                elif subelement.tag == 'product':
                    new_reaction.add_product(int(subelement.attrib['id']))
            self.pathway.add_reaction(new_reaction)

        def _parse_relation(element):
            new_relation = Relation()
            new_relation.entry1 = int(element.attrib['entry1'])
            new_relation.entry2 = int(element.attrib['entry2'])
            new_relation.type = element.attrib['type']
            for subtype in element.getchildren():
                name, value = subtype.attrib['name'], subtype.attrib['value']
                if name in ('compound', 'hidden compound'):
                    new_relation.subtypes.append((name, int(value)))
                else:
                    new_relation.subtypes.append((name, value))
            self.pathway.add_relation(new_relation)

        # ==========
        # Initialise Pathway
        self.pathway = Pathway()
        # Get information about the pathway itself
        _parse_pathway(self.entry.attrib)
        for element in self.entry.getchildren():
            if element.tag == 'entry':
                _parse_entry(element)
            elif element.tag == 'reaction':
                _parse_reaction(element)
            elif element.tag == 'relation':
                _parse_relation(element)
            # Parsing of some elements not implemented - no examples yet
            else:
                # This should warn us of any unimplemented tags
                import warnings
                from Bio import BiopythonParserWarning
                warnings.warn("Warning: tag %s not implemented in parser" %
                              element.tag, BiopythonParserWarning)
        return self.pathway


if __name__ == '__main__':
    # Check large metabolism
    pathway = read(open('ko01100.xml', 'rU'))
    print(pathway)
    for k, v in list(pathway.entries.items())[:20]:
        print(v)
    for r in list(pathway.reactions)[:20]:
        print(r)
    print(len(pathway.maps))

    # Check relations
    pathway = read(open('ko_metabolic/ko00010.xml', 'rU'))
    print(pathway)
    for k, v in list(pathway.entries.items())[:20]:
        print(v)
    for r in list(pathway.reactions[:20]):
        print(r)
    for r in list(pathway.relations[:20]):
        print(r)
    print(len(pathway.maps))

    # Check components
    pathway = read(open('ko_metabolic/ko00253.xml', 'rU'))
    print(pathway)
    for k, v in pathway.entries.items():
        print(v)
    print(len(pathway.maps))

    # Test XML representation
    print(pathway.get_KGML())

    # Test bounds of pathway
    print(pathway.bounds)