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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
48 // Forward declaration of class CommandLineProgramContext is not sufficient for
49 // MSVC if the return value of initForCommandLine() is ignored(!)
50 #include "gromacs/commandline/cmdlineprogramcontext.h"
55 class CommandLineModuleInterface;
58 * Initializes the \Gromacs library for command-line use.
60 * \param[in] argc argc value passed to main().
61 * \param[in] argv argv array passed to main().
62 * \returns Reference to initialized program context object.
64 * This function is tailored for use in command line applications.
65 * For other usage, combination of gmx::init() and gmx::setProgramContext()
66 * provides more flexible initialization alternatives.
67 * Unlike gmx::init(), calls to this method cannot be nested.
69 * The command line arguments are communicated so that they can be
70 * parsed on each processor.
71 * \p argc and \p argv are passed to gmx::init(); see there for additional
72 * discussion. This method does not place any additional limitations, but
73 * generally there should be no need to pass NULL values.
75 * Does not throw. Terminates the program on out-of-memory error.
77 * This method is not thread-safe, since it is intended to be the first method
78 * called. See setProgramContext() for additional discussion.
81 * \see setProgramContext()
82 * \ingroup module_commandline
84 CommandLineProgramContext &initForCommandLine(int *argc, char ***argv);
86 * Deinitializes the \Gromacs library after initForCommandLine().
88 * Calls gmx::finalize() and additionally undoes the work done by
89 * initForCommandLine().
91 * \see gmx::finalize()
92 * \ingroup module_commandline
94 void finalizeForCommandLine();
96 * Handles an exception and deinitializes after initForCommandLine.
98 * \param[in] ex Exception that is the cause for terminating the program.
99 * \returns Return code to return from main().
101 * This method should be called as the last thing before terminating the
102 * program because of an exception. See processExceptionAtExit() for details.
103 * Additionally this method undoes the work done by initForCommandLine.
107 int processExceptionAtExitForCommandLine(const std::exception &ex);
109 * Implements a main() method that runs a single module.
111 * \param argc \c argc passed to main().
112 * \param argv \c argv passed to main().
113 * \param module Module to run.
115 * This method allows for uniform behavior for binaries that only
116 * contain a single module without duplicating any of the
117 * implementation from CommandLineModuleManager (startup headers,
118 * common options etc.).
120 * The signature assumes that \p module construction does not throw
121 * (because otherwise the caller would need to duplicate all the
122 * exception handling code). It is possible to move the construction
123 * inside the try/catch in this method using an indirection similar to
124 * TrajectoryAnalysisCommandLineRunner::runAsMain(), but until that is
125 * necessary, the current approach leads to simpler code.
129 int main(int argc, char *argv[])
131 CustomCommandLineModule module;
132 return gmx::runCommandLineModule(argc, argv, &module);
136 * Does not throw. All exceptions are caught and handled internally.
138 int runCommandLineModule(int argc, char *argv[],
139 CommandLineModuleInterface *module);
148 * Implements a main() method that runs a given C main function.
150 * \param argc \c argc passed to main().
151 * \param argv \c argv passed to main().
152 * \param mainFunction The main()-like method to wrap.
154 * This method creates a dummy command line module that does its
155 * processing by calling \p mainFunction. It then runs this module as with
156 * gmx::runCommandLineModule().
157 * This allows the resulting executable to handle common options and do
158 * other common actions (e.g., startup headers) without duplicate code
159 * in the main methods.
161 * \p mainFunction should call parse_common_args() to process its command-line
166 int my_main(int argc, char *argv[])
171 int main(int argc, char *argv[])
173 return gmx_run_cmain(argc, argv, &my_main);
177 * Does not throw. All exceptions are caught and handled internally.
179 int gmx_run_cmain(int argc, char *argv[], int (*mainFunction)(int, char *[]));