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37 * Declares functions for initializing the \Gromacs library for command-line use.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_commandline
43 #ifndef GMX_COMMANDLINE_CMDLINEINIT_H
44 #define GMX_COMMANDLINE_CMDLINEINIT_H
46 // Forward declaration of class ProgramInfo is not sufficient for MSVC if
47 // the return value of initForCommandLine() is ignored(!)
48 #include "cmdlineprogramcontext.h"
54 * Initializes the \Gromacs library for command-line use.
56 * \param[in] argc argc value passed to main().
57 * \param[in] argv argv array passed to main().
58 * \returns Reference to initialized program context object.
60 * This function is tailored for use in command line applications.
61 * For other usage, combination of gmx::init() and gmx::setProgramContext()
62 * provides more flexible initialization alternatives.
63 * Unlike gmx::init(), calls to this method cannot be nested.
65 * The command line arguments are communicated so that they can be
66 * parsed on each processor.
67 * \p argc and \p argv are passed to gmx::init(); see there for additional
68 * discussion. This method does not place any additional limitations, but
69 * generally there should be no need to pass NULL values.
71 * Does not throw. Terminates the program on out-of-memory error.
73 * This method is not thread-safe, since it is intended to be the first method
74 * called. See setProgramContext() for additional discussion.
77 * \see setProgramContext()
78 * \ingroup module_commandline
80 ProgramInfo &initForCommandLine(int *argc, char ***argv);
82 * Deinitializes the \Gromacs library after initForCommandLine().
84 * Calls gmx::finalize() and additionally undoes the work done by
85 * initForCommandLine().
87 * \see gmx::finalize()
88 * \ingroup module_commandline
90 void finalizeForCommandLine();