2.2.12.4. graph/GraphInterface.hpp¶

This header contains the definitions for the graph interface for graph::Graph.

2.2.12.4.1. Class `graph::Graph::Vertex`¶

class graph::Graph::Vertex¶: A descriptor of either a vertex in a graph, or a null vertex.

2.2.12.4.1.1. Synopsis¶

struct MOD_DECL Graph::Vertex {
    Vertex(std::shared_ptr<Graph> g, std::size_t vId);
public:
    Vertex();
    MOD_DECL friend std::ostream &operator<<(std::ostream &s, const Vertex &v);
    MOD_DECL friend bool operator==(const Vertex &v1, const Vertex &v2);
    MOD_DECL friend bool operator!=(const Vertex &v1, const Vertex &v2);
    MOD_DECL friend bool operator<(const Vertex &v1, const Vertex &v2);
    std::size_t hash() const;
    explicit operator bool() const;
    bool isNull() const;
    std::size_t getId() const;
    std::shared_ptr<Graph> getGraph() const;
    std::size_t getDegree() const;
    IncidentEdgeRange incidentEdges() const;
    const std::string &getStringLabel() const;
    AtomId getAtomId() const;
    Isotope getIsotope() const;
    Charge getCharge() const;
    bool getRadical() const;
    std::string printStereo() const;
    std::string printStereo(const Printer &p) const;
private:
    std::shared_ptr<Graph> g;
    std::size_t vId;
};

2.2.12.4.1.2. Details¶

Vertex()¶: Constructs a null descriptor.

explicit operator bool() const¶

Returns: !isNull()

bool isNull() const¶

Returns: whether this is a null descriptor or not.

std::size_t getId() const¶

Returns: the index of the vertex. It will be in the range \([0, numVertices[\).
Throws: LogicError if it is a null descriptor.

std::shared_ptr<Graph> getGraph() const¶

Returns: the graph the vertex belongs to.
Throws: LogicError if it is a null descriptor.

std::size_t getDegree() const¶

Returns: the degree of the vertex.
Throws: LogicError if it is a null descriptor.

IncidentEdgeRange incidentEdges() const¶

Returns: a range of incident edges to this vertex.
Throws: LogicError if it is a null descriptor.

const std::string &getStringLabel() const¶

Returns: the string label of the vertex.
Throws: LogicError if it is a null descriptor.

AtomId getAtomId() const¶

Returns: the atom id of the vertex.
Throws: LogicError if it is a null descriptor.

Isotope getIsotope() const¶

Returns: the isotope of the vertex.
Throws: LogicError if it is a null descriptor.

Charge getCharge() const¶

Returns: the charge of the vertex.
Throws: LogicError if it is a null descriptor.

bool getRadical() const¶

Returns: the radical status of the vertex.
Throws: LogicError if it is a null descriptor.

std::string printStereo() const¶

std::string printStereo(const Printer &p) const¶

Print the stereo configuration for the vertex.

Returns: the name of the PDF-file that will be compiled in post-processing.
Throws: LogicError if it is a null descriptor.

2.2.12.4.2. Class `graph::Graph::Edge`¶

class graph::Graph::Edge¶: A descriptor of either an edge in a graph, or a null edge.

2.2.12.4.2.1. Synopsis¶

class MOD_DECL Graph::Edge {
    friend class EdgeIterator;
    friend class IncidentEdgeIterator;
    Edge(std::shared_ptr<Graph> g, std::size_t vId, std::size_t eId);
public:
    Edge();
    MOD_DECL friend std::ostream &operator<<(std::ostream &s, const Edge &e);
    MOD_DECL friend bool operator==(const Edge &e1, const Edge &e2);
    MOD_DECL friend bool operator!=(const Edge &e1, const Edge &e2);
    MOD_DECL friend bool operator<(const Edge &e1, const Edge &e2);
    explicit operator bool() const;
    bool isNull() const;
    std::shared_ptr<Graph> getGraph() const;
    Vertex source() const;
    Vertex target() const;
    const std::string &getStringLabel() const;
    BondType getBondType() const;
private:
    std::shared_ptr<Graph> g;
    std::size_t vId, eId;
};

2.2.12.4.2.2. Details¶

Edge()¶: Constructs a null descriptor.

explicit operator bool() const¶

Returns: !isNull()

bool isNull() const¶

Returns: whether this is a null descriptor or not.

std::shared_ptr<Graph> getGraph() const¶

Returns: the graph the edge belongs to.
Throws: LogicError if it is a null descriptor.

Vertex source() const¶

Returns: the source vertex of the edge.
Throws: LogicError if it is a null descriptor.

Vertex target() const¶

Returns: the target vertex of the edge.
Throws: LogicError if it is a null descriptor.

const std::string &getStringLabel() const¶

Returns: the string label of the edge.
Throws: LogicError if it is a null descriptor.

BondType getBondType() const¶

Returns: the bond type of the edge.
Throws: LogicError if it is a null descriptor.

2.2.12.4.3. Class `graph::Graph::VertexIterator`¶

class graph::Graph::VertexIterator¶: An iterator for traversing all vertices in a graph. It models a forward iterator.

2.2.12.4.3.1. Synopsis¶

class MOD_DECL Graph::VertexIterator
        : public boost::iterator_facade<VertexIterator, Vertex, std::forward_iterator_tag, Vertex> {
    friend class Graph;
    VertexIterator(std::shared_ptr<Graph> g);
public:
    VertexIterator();
private:
    friend class boost::iterator_core_access;
    Vertex dereference() const;
    bool equal(const VertexIterator &iter) const;
    void increment();
private:
    std::shared_ptr<Graph> g;
    std::size_t vId;
};

2.2.12.4.3.2. Details¶

VertexIterator()¶: Construct a past-the-end iterator.

2.2.12.4.4. Class `graph::Graph::VertexRange`¶

class graph::Graph::VertexRange¶: A range of all vertices in a graph.

2.2.12.4.4.1. Synopsis¶

struct Graph::VertexRange {
    using iterator = VertexIterator;
    using const_iterator = iterator;
private:
    friend class Graph;
    VertexRange(std::shared_ptr<Graph> g);
public:
    VertexIterator begin() const;
    VertexIterator end() const;
    Vertex operator[](std::size_t i) const;
private:
    std::shared_ptr<Graph> g;
};

2.2.12.4.5. Class `graph::Graph::EdgeIterator`¶

class graph::Graph::EdgeIterator¶: An iterator for traversing all edges in a graph. It models a forward iterator.

2.2.12.4.5.1. Synopsis¶

class MOD_DECL Graph::EdgeIterator
        : public boost::iterator_facade<EdgeIterator, Edge, std::forward_iterator_tag, Edge> {
    friend class Graph;
    EdgeIterator(std::shared_ptr<Graph> g);
public:
    EdgeIterator();
private:
    friend class boost::iterator_core_access;
    Edge dereference() const;
    bool equal(const EdgeIterator &iter) const;
    void increment();
    void advanceToValid();
private:
    std::shared_ptr<Graph> g;
    std::size_t vId, eId;
};

2.2.12.4.5.2. Details¶

EdgeIterator()¶: Construct a past-the-end iterator.

2.2.12.4.6. Class `graph::Graph::EdgeRange`¶

class graph::Graph::EdgeRange¶: A range of all edges in a graph.

2.2.12.4.6.1. Synopsis¶

struct Graph::EdgeRange {
    using iterator = EdgeIterator;
    using const_iterator = iterator;
private:
    friend class Graph;
    EdgeRange(std::shared_ptr<Graph> g);
public:
    EdgeIterator begin() const;
    EdgeIterator end() const;
private:
    std::shared_ptr<Graph> g;
};

2.2.12.4.7. Class `graph::Graph::IncidnetEdgeIterator`¶

class graph::Graph::IncidnetEdgeIterator¶: An iterator for traversing all edges in a graph. It models a forward iterator.

2.2.12.4.7.1. Synopsis¶

class MOD_DECL Graph::IncidentEdgeIterator
        : public boost::iterator_facade<IncidentEdgeIterator, Edge, std::forward_iterator_tag, Edge> {
    friend class Graph;
    IncidentEdgeIterator(std::shared_ptr<Graph> g, std::size_t vId);
public:
    IncidentEdgeIterator();
private:
    friend class boost::iterator_core_access;
    Edge dereference() const;
    bool equal(const IncidentEdgeIterator &iter) const;
    void increment();
private:
    std::shared_ptr<Graph> g;
    std::size_t vId, eId;
};

2.2.12.4.7.2. Details¶

IncidentEdgeIterator()¶: Construct a past-the-end iterator.

2.2.12.4.8. Class `graph::Graph::IncidentEdgeRange`¶

class graph::Graph::IncidentEdgeRange¶: A range of all incident edges to a vertex in a graph.

2.2.12.4.8.1. Synopsis¶

struct Graph::IncidentEdgeRange {
    using iterator = IncidentEdgeIterator;
    using const_iterator = iterator;
private:
    friend class Vertex;
    IncidentEdgeRange(std::shared_ptr<Graph> g, std::size_t vId);
public:
    IncidentEdgeIterator begin() const;
    IncidentEdgeIterator end() const;
private:
    std::shared_ptr<Graph> g;
    std::size_t vId;
};