.. _py-rule/GraphInterface:

**********************************************************
rule/GraphInterface
**********************************************************
.. default-domain:: py

.. py:currentmodule:: mod
.. cpp:namespace:: mod


Class ``RuleLeftGraph``
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.. py:class:: RuleLeftGraph

    A proxy object representing the left graph of the rule.

    .. py:attribute:: rule

        (Read-only) The rule the graph belongs to.

        :type: Rule
    .. py:attribute:: numVertices

        (Read-only) The number of vertices in the graph.

        :type: int
    .. py:attribute:: vertices

        (Read-only) An iterable of all vertices in the graph.

        :type: RuleLeftGraphVertexRange
    .. py:attribute:: numEdges

        (Read-only) The number of edges in the graph.

        :type: int
    .. py:attribute:: edges

        (Read-only) An iterable of all edges in the graph.

        :type: RuleLeftGraphEdgeRange

Class ``RuleLeftGraphVertex``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleLeftGraphVertex

    A descriptor of either a vertex in a left side, or a null vertex.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: id

        (Read-only) The index of the vertex. It will be in the range :math:`[0, numCoreVertices[`.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: rule

        (Read-only) The rule the vertex belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this vertex in the core graph.

        :type: RuleVertex
    .. py:attribute:: degree

        (Read-only) The degree of the vertex.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: incidentEdges

        (Read-only) A range of incident edges to this vertex.

        :type: RuleLeftGraphIncidentEdgeRange
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: stringLabel

        (Read-only) The string label of the vertex.

        :type: str
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: atomId

        (Read-only) The atom id of the vertex.

        :type: AtomId
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: isotope

        (Read-only) The isotope of the vertex.

        :type: Isotope
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: charge

        (Read-only) The charge of the vertex.

        :type: Charge
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: radical

        (Read-only) The radical status of the vertex.

        :type: bool
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:method:: printStereo()
                   printStereo(p)

        Print the stereo configuration for the vertex.

        :param GraphPrinter p: the printing options used for the depiction.
        :returns: the name of the PDF-file that will be compiled in post-processing.
        :rtype: str
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleLeftGraphEdge``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleLeftGraphEdge

    A descriptor of either an edge in a left side, or a null edge.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: graph

        (Read-only) The rule the edge belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this edge in the core graph.

        :type: RuleEdge
    .. py:attribute:: source

        (Read-only) The source vertex of the edge.

        :type: RuleLeftGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. attribute:: target

        (Read-only) The target vertex of the edge.

        :type: RuleLeftGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: stringLabel

        (Read-only) The string label of the edge.

        :type: str
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: bondType

        (Read-only) The bond type of the edge.

        :type: BondType
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleContextGraph``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleContextGraph

    A proxy object representing the context graph of the rule.

    .. py:attribute:: rule

        (Read-only) The rule the graph belongs to.

        :type: Rule
    .. py:attribute:: numVertices

        (Read-only) The number of vertices in the graph.

        :type: int
    .. py:attribute:: vertices

        (Read-only) An iterable of all vertices in the graph.

        :type: RuleContextGraphVertexRange
    .. py:attribute:: numEdges

        (Read-only) The number of edges in the graph.

        :type: int
    .. py:attribute:: edges

        (Read-only) An iterable of all edges in the graph.

        :type: RuleContextGraphEdgeRange

Class ``RuleContextGraphVertex``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleContextGraphVertex

    A descriptor of either a vertex in a context, or a null vertex.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: id

        (Read-only) The index of the vertex. It will be in the range :math:`[0, numCoreVertices[`.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: rule

        (Read-only) The rule the vertex belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this vertex in the core graph.

        :type: RuleVertex
    .. py:attribute:: degree

        (Read-only) The degree of the vertex.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: incidentEdges

        (Read-only) A range of incident edges to this vertex.

        :type: RuleContextGraphIncidentEdgeRange
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleContextGraphEdge``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleContextGraphEdge

    A descriptor of either an edge in a context, or a null edge.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: graph

        (Read-only) The rule the edge belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this edge in the core graph.

        :type: RuleEdge
    .. py:attribute:: source

        (Read-only) The source vertex of the edge.

        :type: RuleContextGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. attribute:: target

        (Read-only) The target vertex of the edge.

        :type: RuleContextGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleRightGraph``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleRightGraph

    A proxy object representing the right graph of the rule.

    .. py:attribute:: rule

        (Read-only) The rule the graph belongs to.

        :type: Rule
    .. py:attribute:: numVertices

        (Read-only) The number of vertices in the graph.

        :type: int
    .. py:attribute:: vertices

        (Read-only) An iterable of all vertices in the graph.

        :type: RuleRightGraphVertexRange
    .. py:attribute:: numEdges

        (Read-only) The number of edges in the graph.

        :type: int
    .. py:attribute:: edges

        (Read-only) An iterable of all edges in the graph.

        :type: RuleRightGraphEdgeRange

Class ``RuleRightGraphVertex``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleRightGraphVertex

    A descriptor of either a vertex in a right side, or a null vertex.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: id

        (Read-only) The index of the vertex. It will be in the range :math:`[0, numCoreVertices[`.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: rule

        (Read-only) The rule the vertex belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this vertex in the core graph.

        :type: RuleVertex
    .. py:attribute:: degree

        (Read-only) The degree of the vertex.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: incidentEdges

        (Read-only) A range of incident edges to this vertex.

        :type: RuleRightGraphIncidentEdgeRange
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: stringLabel

        (Read-only) The string label of the vertex.

        :type: str
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: atomId

        (Read-only) The atom id of the vertex.

        :type: AtomId
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: isotope

        (Read-only) The isotope of the vertex.

        :type: Isotope
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: charge

        (Read-only) The charge of the vertex.

        :type: Charge
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: radical

        (Read-only) The radical status of the vertex.

        :type: bool
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:method:: printStereo()
                 printStereo(p)

        Print the stereo configuration for the vertex.

        :param GraphPrinter p: the printing options used for the depiction.
        :returns: the name of the PDF-file that will be compiled in post-processing.
        :rtype: str
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleRightGraphEdge``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleRightGraphEdge

    A descriptor of either an edge in a right side, or a null edge.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: graph

        (Read-only) The rule the edge belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: core

        (Read-only) The descriptor for this edge in the core graph.

        :type: RuleEdge
    .. py:attribute:: source

        (Read-only) The source vertex of the edge.

        :type: RuleRightGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. attribute:: target

        (Read-only) The target vertex of the edge.

        :type: RuleRightGraphVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: stringLabel

        (Read-only) The string label of the edge.

        :type: str
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: bondType

        (Read-only) The bond type of the edge.

        :type: BondType
        :raises: :py:class:`LogicError` if it is a null descriptor.

Class ``RuleVertex``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleVertex

    A descriptor of either a vertex in a rule, or a null vertex.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: id

        (Read-only) The index of the vertex. It will be in the range :math:`[0, numVertices[`.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: rule

        (Read-only) The rule the vertex belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: left

        (Read-only) A null descriptor if this vertex is not in the left graph,
        otherwise the descriptor of this vertex in the left graph.
    .. py:attribute:: context

        (Read-only) A null descriptor if this vertex is not in the context graph,
        otherwise the descriptor of this vertex in the context graph.
    .. py:attribute:: right

        (Read-only) A null descriptor if this vertex is not in the right graph,
        otherwise the descriptor of this vertex in the right graph.
    .. py:attribute:: degree

        (Read-only) The degree of the vertex.

        :type: int
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: incidentEdges

        (Read-only) A range of incident edges to this vertex.

        :type: RuleIncidentEdgeRange
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:method:: get2DX(withHydrogens=True)

        :returns: the x-coordinate in a 2D depiction of the rule.
            Different sets of coordinates exists for rendering with and wihout certain hydrogens.
        :rtype: float
        :raises: :py:class:`LogicError` if it is a null descriptor, or
            if ``withHydrogens`` is ``True`` and the vertex is a "clean" hydrogen.
    .. py:method:: get2DY(withHydrogens=True)

        :returns: the y-coordinate in a 2D depiction of the rule.
            Different sets of coordinates exists for rendering with and wihout certain hydrogens.
        :rtype: float
        :raises: :py:class:`LogicError` if it is a null descriptor, or
            if ``withHydrogens`` is ``True`` and the vertex is a "clean" hydrogen.

Class ``RuleEdge``
--------------------------------------------------------------------------------------------------------------------------------

.. py:class:: RuleEdge

    A descriptor of either an edge in a rule, or a null edge.

    .. py:function:: __init__(self)

        Constructs a null descriptor.
    .. py::method:: __bool__(self)

        :returns: ``not isNull()``
        :rtype: bool
    .. py:method:: isNull()

        :returns: whether this is a null descriptor or not.
        :rtype: bool
    .. py:attribute:: rule

        (Read-only) The rule the edge belongs to.

        :type: Rule
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. py:attribute:: left

        (Read-only) A null descriptor if this edge is not in the left graph,
        otherwise the descriptor of this edge in the left graph.
    .. py:attribute:: context

        (Read-only) A null descriptor if this edge is not in the context graph,
        otherwise the descriptor of this edge in the context graph.
    .. py:attribute:: right

        (Read-only) A null descriptor if this edge is not in the right graph,
        otherwise the descriptor of this edge in the right graph.
    .. py:attribute:: source

        (Read-only) The source vertex of the edge.

        :type: RuleVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.
    .. attribute:: target

        (Read-only) The target vertex of the edge.

        :type: RuleVertex
        :raises: :py:class:`LogicError` if it is a null descriptor.