Update instructions in containers.rst
[gromacs.git] / src / gromacs / commandline / cmdlineinit.h
blobab7cbfa601e0651ba3c18be69a5425d57981bf4f
1 /*
2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2013,2014,2015,2018,2019, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
35 /*! \file
36 * \brief
37 * Declares functions for initializing the \Gromacs library for command line use.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \inpublicapi
41 * \ingroup module_commandline
43 #ifndef GMX_COMMANDLINE_CMDLINEINIT_H
44 #define GMX_COMMANDLINE_CMDLINEINIT_H
46 #include <functional>
47 #include <memory>
49 // Forward declaration of class CommandLineProgramContext is not sufficient for
50 // MSVC if the return value of initForCommandLine() is ignored(!)
51 #include "gromacs/commandline/cmdlineprogramcontext.h"
53 namespace gmx
56 class ICommandLineModule;
57 class ICommandLineOptionsModule;
59 /*! \brief
60 * Initializes the \Gromacs library for command-line use.
62 * \param[in] argc argc value passed to main().
63 * \param[in] argv argv array passed to main().
64 * \returns Reference to initialized program context object.
66 * This function is tailored for use in command line applications.
67 * For other usage, combination of gmx::init() and gmx::setProgramContext()
68 * provides more flexible initialization alternatives.
69 * Unlike gmx::init(), calls to this method cannot be nested.
71 * The command line arguments are communicated so that they can be
72 * parsed on each processor.
73 * \p argc and \p argv are passed to gmx::init(); see there for additional
74 * discussion. This method does not place any additional limitations, but
75 * generally there should be no need to pass NULL values.
77 * Does not throw. Terminates the program on out-of-memory error.
79 * This method is not thread-safe, since it is intended to be the first method
80 * called. See setProgramContext() for additional discussion.
82 * \see gmx::init()
83 * \see setProgramContext()
84 * \ingroup module_commandline
86 CommandLineProgramContext& initForCommandLine(int* argc, char*** argv);
87 /*! \brief
88 * Deinitializes the \Gromacs library after initForCommandLine().
90 * Calls gmx::finalize() and additionally undoes the work done by
91 * initForCommandLine().
93 * \see gmx::finalize()
94 * \ingroup module_commandline
96 void finalizeForCommandLine();
97 /*! \brief
98 * Handles an exception and deinitializes after initForCommandLine.
100 * \param[in] ex Exception that is the cause for terminating the program.
101 * \returns Return code to return from main().
103 * This method should be called as the last thing before terminating the
104 * program because of an exception. See processExceptionAtExit() for details.
105 * Additionally this method undoes the work done by initForCommandLine.
107 * Does not throw.
109 int processExceptionAtExitForCommandLine(const std::exception& ex);
110 /*! \brief
111 * Implements a main() method that runs a single module.
113 * \param argc \c argc passed to main().
114 * \param argv \c argv passed to main().
115 * \param module Module to run.
117 * This method allows for uniform behavior for binaries that only
118 * contain a single module without duplicating any of the
119 * implementation from CommandLineModuleManager (startup headers,
120 * common options etc.).
122 * The signature assumes that \p module construction does not throw
123 * (because otherwise the caller would need to duplicate all the
124 * exception handling code). It is possible to move the construction
125 * inside the try/catch in this method using an indirection similar to
126 * TrajectoryAnalysisCommandLineRunner::runAsMain(), but until that is
127 * necessary, the current approach leads to simpler code.
129 * Usage:
130 * \code
131 int main(int argc, char *argv[])
133 CustomCommandLineModule module;
134 return gmx::runCommandLineModule(argc, argv, &module);
136 \endcode
138 * Does not throw. All exceptions are caught and handled internally.
140 int runCommandLineModule(int argc, char* argv[], ICommandLineModule* module);
141 /*! \brief
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.).
155 * Usage:
156 * \code
157 class CustomCommandLineOptionsModule : public ICommandLineOptionsModule
159 // <...>
162 static ICommandLineOptionsModule *create()
164 return new CustomCommandLineOptionsModule();
167 int main(int argc, char *argv[])
169 return gmx::runCommandLineModule(
170 argc, argv, "mymodule", "short description", &create);
172 \endcode
174 * Does not throw. All exceptions are caught and handled internally.
176 int runCommandLineModule(int argc,
177 char* argv[],
178 const char* name,
179 const char* description,
180 std::function<std::unique_ptr<ICommandLineOptionsModule>()> factory);
182 } // namespace gmx
184 /*! \brief
185 * Implements a main() method that runs a given C main function.
187 * \param argc \c argc passed to main().
188 * \param argv \c argv passed to main().
189 * \param mainFunction The main()-like method to wrap.
191 * This method creates a dummy command line module that does its
192 * processing by calling \p mainFunction. It then runs this module as with
193 * gmx::runCommandLineModule().
194 * This allows the resulting executable to handle common options and do
195 * other common actions (e.g., startup headers) without duplicate code
196 * in the main methods.
198 * \p mainFunction should call parse_common_args() to process its command-line
199 * arguments.
201 * Usage:
202 * \code
203 int my_main(int argc, char *argv[])
205 // <...>
208 int main(int argc, char *argv[])
210 return gmx_run_cmain(argc, argv, &my_main);
212 \endcode
214 * Does not throw. All exceptions are caught and handled internally.
216 int gmx_run_cmain(int argc, char* argv[], int (*mainFunction)(int, char*[]));
218 #endif