Exemple #1
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def subtree_of(subtree, tree, exact=False, tolerance=0):
    '''
    Test to see if `subtree` is included in `tree` anywhere. Returns the
    node id number of the first occurence of `subtree` included in `tree` or |None|
    if it is not found.

    Parameters
    ----------
    subtree: Glycan
        The structure to search for. The search attempts to match the complete structure of subtree.
    tree: Glycan
        The sturcture to search in. The search iterates over each residue in `tree` and calls a comparator
        function, comparing the `subtree` to the substructure rooted at that residue.
    exact: bool
        If |True|, use :func:`exact_ordering_inclusion` to compare nodes. Otherwise use :func:`topological_inclusion`.
        Defaults to |False|.

    Returns
    -------
    |int| or |None| if no match

    '''
    if exact:
        comparator = exact_ordering_inclusion
    else:
        comparator = topological_inclusion
    tree_root = root(subtree)
    for node in tree:
        if comparator(tree_root, node):
            return node.id
    return None
Exemple #2
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 def __init__(self, structure, figure=None, ax=None, layout=buchheim, symbol_nomenclature=cfg_symbols, **kwargs):
     self.structure = structure
     self.root = DrawTreeNode(root(structure))
     self.figure = figure
     self.ax = ax
     self.layout_scheme = layout
     self.symbol_nomenclature = symbol_nomenclature
Exemple #3
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def plot(tree, at=(1, 1), ax=None, orientation='h', center=False, label=False,
         symbol_nomenclature='cfg', layout='balanced', **kwargs):
    '''
    Draw the parent outlink position and the child anomer symbol

    Parameters
    ----------
    tree: Glycan or Monosaccharide
        The saccharide structure to draw.
    orientation: str
        A string corresponding to `h` or `horizontal` will draw the glycan horizontally
        from right to left. `v` or `vertical` will draw the glycan from bottom to top.
        Defaults to `h`
    at: tuple
        The x, y coordinates at which to draw the glycan's reducing_end. Defaults to `(0, 0)`
    ax: :class:`matplotlib.axes.Axis`
        A matplotlib axis on which to draw. Useful for adding glycans to existing figures. If
        an axis is not provided, a new figure will be created and used.
    center: bool
        Should the plot limits be centered around this glycan? Defaults to |False| but will be
        be set to |True| if `ax` is |None|
    label: bool
        Should the bond annotations for `tree` be drawn? Defaults to |False|
    scale: (float, float) or float
        Node scale coefficients. Pass a pair to scale x and y dimensions respectively.
    stretch: (float, float) or float
        Edge length coefficients. Pass a pair to scale x and y dimensions respectively. Order is
        affected by `orientation`
    '''

    scale = kwargs.get("scale", DEFAULT_SYMBOL_SCALE_FACTOR)

    if isinstance(symbol_nomenclature, basestring):
        symbol_nomenclature = nomenclature_map.get(symbol_nomenclature)

    if isinstance(layout, basestring):
        layout = layout_map.get(layout)

    tree_root = root(tree)
    dtree = DrawTreeNode(tree_root)
    if layout == topological:
        for node in breadth_first_traversal(dtree):
            node.mask_special_cases = False

    layout(dtree)
    if layout != topological:
        dtree.fix_special_cases()

    fig = None
    # Create a figure if no axes are provided
    if ax is None:
        fig, ax = plt.subplots()
        at = (0, 0)
        center = True
        ax.axis('off')
    dtree.draw(at=at, ax=ax, scale=scale, label=False,
               symbol_nomenclature=symbol_nomenclature, **kwargs)
    dtree.axes = ax
    dtree.data['orientation'] = orientation
    if label:
        dtree.draw_linkage_annotations(
            at=at, ax=ax, scale=scale,
            symbol_nomenclature=symbol_nomenclature, **kwargs)
    if orientation in {"h", "horizontal"}:
        dtree.transform(mtransforms.Affine2D().rotate_deg(90))
        dtree._rotate_text(-90)
    # If the figure is stand-alone, center it
    if fig is not None or center:
        xmin, xmax, ymin, ymax = dtree.extrema(at=at)
        ax.set_xlim(xmin - 2, xmax + 2)
        ax.set_ylim(ymin - 2, ymax + 2)
        ax.autoscale_view()
        ax.get_xaxis().set_visible(False)
        ax.get_yaxis().set_visible(False)
    return (dtree, ax)
 def pack(self):
     d = self.processor(''.join(self.sequence_chunks))
     name = self.defline
     root_node = root(d)
     return NamedGlycan(name=name, root=root_node, index_method=None)