/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
/*!
* \brief Recipe for a computational workflow.
*
- * Provides a lightweight and portable container defining the nodes and edges in a workflow with enough information for
- * the workflow to be instantiated and run.
+ * Provides a lightweight and portable container defining the nodes and edges in a workflow with
+ * enough information for the workflow to be instantiated and run.
*
* \ingroup gmxapi
*/
class Workflow final
{
- public:
- //! In initial version, Implementation class is just a type alias.
- using Impl = typename std::map< NodeKey, std::unique_ptr<NodeSpecification> >;
+public:
+ //! In initial version, Implementation class is just a type alias.
+ using Impl = typename std::map<NodeKey, std::unique_ptr<NodeSpecification>>;
- /*! \brief Use create() to get Workflow objects.
- *
- * An empty workflow is not meaningful except to a builder, which does not
- * yet exist. Even a builder, though, will probably create the implementation
- * object directly and the Workflow object from that.
- */
- Workflow() = delete;
+ /*! \brief Use create() to get Workflow objects.
+ *
+ * An empty workflow is not meaningful except to a builder, which does not
+ * yet exist. Even a builder, though, will probably create the implementation
+ * object directly and the Workflow object from that.
+ */
+ Workflow() = delete;
- /*!
- * \brief Construct by transfering ownership of an implementation object.
- *
- * \param impl Implementation object to wrap.
- *
- * Usage:
- *
- * gmxapi::Workflow::Impl newGraph;
- * // ...
- * // configure graph...
- * // ...
- * // Create workflow container
- * gmxapi::Workflow work {std::move(newGraph)};
- * gmxapi::launchSession(&context, work);
- *
- */
- explicit Workflow(Impl &&impl);
+ /*!
+ * \brief Construct by transfering ownership of an implementation object.
+ *
+ * \param impl Implementation object to wrap.
+ *
+ * Usage:
+ *
+ * gmxapi::Workflow::Impl newGraph;
+ * // ...
+ * // configure graph...
+ * // ...
+ * // Create workflow container
+ * gmxapi::Workflow work {std::move(newGraph)};
+ * gmxapi::launchSession(&context, work);
+ *
+ */
+ explicit Workflow(Impl&& impl);
- /*!
- * \brief Add a node to the workflow graph.
- *
- * The work specification must already have its inputs assigned to existing
- * nodes. This operation should only be permitted if it does not render a
- * valid workflow invalid.
- *
- * \param spec Operational node to add to the Workflow.
- *
- * \return Key for the new node in the Workflow container.
- *
- * \todo Not yet implemented.
- */
- NodeKey addNode(std::unique_ptr<NodeSpecification> spec);
+ /*!
+ * \brief Add a node to the workflow graph.
+ *
+ * The work specification must already have its inputs assigned to existing
+ * nodes. This operation should only be permitted if it does not render a
+ * valid workflow invalid.
+ *
+ * \param spec Operational node to add to the Workflow.
+ *
+ * \return Key for the new node in the Workflow container.
+ *
+ * \todo Not yet implemented.
+ */
+ NodeKey addNode(std::unique_ptr<NodeSpecification> spec);
- /*!
- * \brief Get the node specification for a provided key.
- *
- * \param key Unique identifier for a node in the graph.
- * \return copy of the node specification.
- */
- std::unique_ptr<NodeSpecification> getNode(const gmxapi::NodeKey &key) const noexcept;
+ /*!
+ * \brief Get the node specification for a provided key.
+ *
+ * \param key Unique identifier for a node in the graph.
+ * \return copy of the node specification.
+ */
+ std::unique_ptr<NodeSpecification> getNode(const gmxapi::NodeKey& key) const noexcept;
- /*!
- * \brief Get an iterator to the node key--value pairs.
- *
- * \return iterator across nodes in container.
- *
- * The order in which the nodes are returned is unspecified. Only forward iterator is provided.
- * \{
- */
- Impl::const_iterator cbegin() const;
- Impl::const_iterator cend() const;
- // Allow range based for loop to work before C++17
- Impl::const_iterator begin() const;
- Impl::const_iterator end() const;
- /*! \} */
+ /*!
+ * \brief Get an iterator to the node key--value pairs.
+ *
+ * \return iterator across nodes in container.
+ *
+ * The order in which the nodes are returned is unspecified. Only forward iterator is provided.
+ * \{
+ */
+ Impl::const_iterator cbegin() const;
+ Impl::const_iterator cend() const;
+ // Allow range based for loop to work before C++17
+ Impl::const_iterator begin() const;
+ Impl::const_iterator end() const;
+ /*! \} */
- /*!
- * \brief Create a new workflow.
- *
- * \param filename TPR filename accessible both to the client and library.
- * \return Ownership of a new Workflow instance.
- */
- static std::unique_ptr<Workflow> create(const std::string &filename);
- private:
- /*!
- * \brief Storage structure.
- */
- Impl graph_;
+ /*!
+ * \brief Create a new workflow.
+ *
+ * \param filename TPR filename accessible both to the client and library.
+ * \return Ownership of a new Workflow instance.
+ */
+ static std::unique_ptr<Workflow> create(const std::string& filename);
+private:
+ /*!
+ * \brief Storage structure.
+ */
+ Impl graph_;
};
/*!
*/
class NodeSpecification
{
- public:
- //! Base class is heritable.
- virtual ~NodeSpecification();
+public:
+ //! Base class is heritable.
+ virtual ~NodeSpecification();
- //! Nodes can use arbitrary param type, but string is default.
- using paramsType = std::string;
+ //! Nodes can use arbitrary param type, but string is default.
+ using paramsType = std::string;
- /*!
- * \brief Get an equivalent node for a new graph.
- *
- * \return ownership of a new node specification
- *
- * Allows a derived class to define its own copy behavior when accessed
- * through a base class pointer.
- *
- * \internal
- * Future versions may use this function to translate a node spec from one
- * context to another, in which case the context would likely be passed
- * as an argument. E.g. clone(&context) or cloneTo(&workspec). It may
- * be confusing for developers to manage the distinction between replicating
- * a node in a graph versus using helper methods to copy the node-specific
- * parameters to a node in a new graph, so it is probably better to
- * reserve copy/move construction/assignment for internal code and use
- * well-named well-documented free functions for such higher level operations.
- * Furthermore, it is not universally intuitive what is meant by copying
- * a node without specifying what happens to edges and connected nodes.
- */
- virtual std::unique_ptr<NodeSpecification> clone() = 0;
+ /*!
+ * \brief Get an equivalent node for a new graph.
+ *
+ * \return ownership of a new node specification
+ *
+ * Allows a derived class to define its own copy behavior when accessed
+ * through a base class pointer.
+ *
+ * \internal
+ * Future versions may use this function to translate a node spec from one
+ * context to another, in which case the context would likely be passed
+ * as an argument. E.g. clone(&context) or cloneTo(&workspec). It may
+ * be confusing for developers to manage the distinction between replicating
+ * a node in a graph versus using helper methods to copy the node-specific
+ * parameters to a node in a new graph, so it is probably better to
+ * reserve copy/move construction/assignment for internal code and use
+ * well-named well-documented free functions for such higher level operations.
+ * Furthermore, it is not universally intuitive what is meant by copying
+ * a node without specifying what happens to edges and connected nodes.
+ */
+ virtual std::unique_ptr<NodeSpecification> clone() = 0;
- /*!
- * \brief Fetch current params value.
- *
- * \return copy of internal params value.
- */
- virtual paramsType params() const noexcept = 0;
-
- //! Parameters for the operation represented by this node.
- paramsType params_ {};
+ /*!
+ * \brief Fetch current params value.
+ *
+ * \return copy of internal params value.
+ */
+ virtual paramsType params() const noexcept = 0;
+ //! Parameters for the operation represented by this node.
+ paramsType params_{};
};
-} //end namespace gmxapi
+} // end namespace gmxapi
-#endif //GMXAPI_WORKFLOW_H
+#endif // GMXAPI_WORKFLOW_H
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff