Commit 01ce0f82 authored by M. Eric Irrgang's avatar M. Eric Irrgang Committed by Mark Abraham
Browse files

Rearrange mdrun/runner.h

Swap the public and private sections of Mdrunner. Improves readability
and reduces noise / conflicts for other changes under review. This
commit is only reorganization.

Refs #2605

Change-Id: Ibb9a24a588afd90c7199f77e80aa2a3f2d2e7339
parent 9e5656e3
......@@ -83,6 +83,26 @@ namespace gmx
*/
class Mdrunner
{
public:
/*! \brief Defaulted constructor.
*
* Note that when member variables are not present in the constructor
* member initialization list (which is true for the default constructor),
* then they are initialized with any default member initializer specified
* when they were declared, or default initialized. */
Mdrunner() = default;
//! Start running mdrun by calling its C-style main function.
int mainFunction(int argc, char *argv[]);
/*! \brief Driver routine, that calls the different simulation methods. */
int mdrunner();
//! Called when thread-MPI spawns threads.
t_commrec *spawnThreads(int numThreadsToLaunch) const;
/*! \brief Re-initializes the object after threads spawn.
*
* \todo Can this be refactored so that the Mdrunner on a spawned thread is
* constructed ready to use? */
void reinitializeOnSpawnedThread();
private:
//! Parallelism-related user options.
gmx_hw_opt_t hw_opt;
......@@ -156,26 +176,6 @@ class Mdrunner
t_commrec *cr;
//! Handle to multi-simulation handler.
gmx_multisim_t *ms;
public:
/*! \brief Defaulted constructor.
*
* Note that when member variables are not present in the constructor
* member initialization list (which is true for the default constructor),
* then they are initialized with any default member initializer specified
* when they were declared, or default initialized. */
Mdrunner() = default;
//! Start running mdrun by calling its C-style main function.
int mainFunction(int argc, char *argv[]);
/*! \brief Driver routine, that calls the different simulation methods. */
int mdrunner();
//! Called when thread-MPI spawns threads.
t_commrec *spawnThreads(int numThreadsToLaunch) const;
/*! \brief Re-initializes the object after threads spawn.
*
* \todo Can this be refactored so that the Mdrunner on a spawned thread is
* constructed ready to use? */
void reinitializeOnSpawnedThread();
};
} // namespace gmx
......
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