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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;
56 class CommandLineOptionsModuleInterface;
59 * Initializes the \Gromacs library for command-line use.
61 * \param[in] argc argc value passed to main().
62 * \param[in] argv argv array passed to main().
63 * \returns Reference to initialized program context object.
65 * This function is tailored for use in command line applications.
66 * For other usage, combination of gmx::init() and gmx::setProgramContext()
67 * provides more flexible initialization alternatives.
68 * Unlike gmx::init(), calls to this method cannot be nested.
70 * The command line arguments are communicated so that they can be
71 * parsed on each processor.
72 * \p argc and \p argv are passed to gmx::init(); see there for additional
73 * discussion. This method does not place any additional limitations, but
74 * generally there should be no need to pass NULL values.
76 * Does not throw. Terminates the program on out-of-memory error.
78 * This method is not thread-safe, since it is intended to be the first method
79 * called. See setProgramContext() for additional discussion.
82 * \see setProgramContext()
83 * \ingroup module_commandline
85 CommandLineProgramContext &initForCommandLine(int *argc, char ***argv);
87 * Deinitializes the \Gromacs library after initForCommandLine().
89 * Calls gmx::finalize() and additionally undoes the work done by
90 * initForCommandLine().
92 * \see gmx::finalize()
93 * \ingroup module_commandline
95 void finalizeForCommandLine();
97 * Handles an exception and deinitializes after initForCommandLine.
99 * \param[in] ex Exception that is the cause for terminating the program.
100 * \returns Return code to return from main().
102 * This method should be called as the last thing before terminating the
103 * program because of an exception. See processExceptionAtExit() for details.
104 * Additionally this method undoes the work done by initForCommandLine.
108 int processExceptionAtExitForCommandLine(const std::exception &ex);
110 * Implements a main() method that runs a single module.
112 * \param argc \c argc passed to main().
113 * \param argv \c argv passed to main().
114 * \param module Module to run.
116 * This method allows for uniform behavior for binaries that only
117 * contain a single module without duplicating any of the
118 * implementation from CommandLineModuleManager (startup headers,
119 * common options etc.).
121 * The signature assumes that \p module construction does not throw
122 * (because otherwise the caller would need to duplicate all the
123 * exception handling code). It is possible to move the construction
124 * inside the try/catch in this method using an indirection similar to
125 * TrajectoryAnalysisCommandLineRunner::runAsMain(), but until that is
126 * necessary, the current approach leads to simpler code.
130 int main(int argc, char *argv[])
132 CustomCommandLineModule module;
133 return gmx::runCommandLineModule(argc, argv, &module);
137 * Does not throw. All exceptions are caught and handled internally.
139 int runCommandLineModule(int argc, char *argv[],
140 CommandLineModuleInterface *module);
142 * Implements a main() method that runs a single module.
144 * \param argc \c argc passed to main().
145 * \param argv \c argv passed to main().
146 * \param[in] name Name for the module.
147 * \param[in] description Short description for the module.
148 * \param factory Factory method that creates the module to run.
150 * This method allows for uniform behavior for binaries that only
151 * contain a single module without duplicating any of the
152 * implementation from CommandLineModuleManager (startup headers,
153 * common options etc.).
157 class CustomCommandLineOptionsModule : public CommandLineOptionsModuleInterface
162 static CommandLineOptionsModuleInterface *create()
164 return new CustomCommandLineOptionsModule();
167 int main(int argc, char *argv[])
169 return gmx::runCommandLineModule(
170 argc, argv, "mymodule", "short description", &create);
174 * Does not throw. All exceptions are caught and handled internally.
176 int runCommandLineModule(int argc, char *argv[],
177 const char *name, const char *description,
178 CommandLineOptionsModuleInterface *(*factory)());
187 * Implements a main() method that runs a given C main function.
189 * \param argc \c argc passed to main().
190 * \param argv \c argv passed to main().
191 * \param mainFunction The main()-like method to wrap.
193 * This method creates a dummy command line module that does its
194 * processing by calling \p mainFunction. It then runs this module as with
195 * gmx::runCommandLineModule().
196 * This allows the resulting executable to handle common options and do
197 * other common actions (e.g., startup headers) without duplicate code
198 * in the main methods.
200 * \p mainFunction should call parse_common_args() to process its command-line
205 int my_main(int argc, char *argv[])
210 int main(int argc, char *argv[])
212 return gmx_run_cmain(argc, argv, &my_main);
216 * Does not throw. All exceptions are caught and handled internally.
218 int gmx_run_cmain(int argc, char *argv[], int (*mainFunction)(int, char *[]));