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37 * Declares gmx::TrajectoryAnalysisCommandLineRunner.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_trajectoryanalysis
43 #ifndef GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
44 #define GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
46 #include "gromacs/trajectoryanalysis/analysismodule.h"
47 #include "gromacs/utility/common.h"
52 class CommandLineModuleManager;
53 class CommandLineHelpContext;
56 * Runner class for command-line analysis tools.
58 * This class implements a command-line analysis program, given a
59 * TrajectoryAnalysisModule object. It takes care of converting command-line
60 * parameters to a form understood by the module, as well as parsing common
61 * options, initializing and evaluating selections, and looping over trajectory
65 * \ingroup module_trajectoryanalysis
67 class TrajectoryAnalysisCommandLineRunner
71 * Factory method type for creating a trajectory analysis module.
73 * This method allows the module creation to be postponed to be inside
74 * the try/catch block in runAsMain()/registerModule() implementation
75 * methods and still keep the implementation out of the header, making
76 * the ABI more stable.
78 typedef TrajectoryAnalysisModulePointer (*ModuleFactoryMethod)();
81 * Implements a main() method that runs a given module.
83 * \tparam ModuleType Trajectory analysis module.
84 * \param argc \c argc passed to main().
85 * \param argv \c argv passed to main().
87 * This method abstracts away all the logic required to implement a
88 * main() method in user tools, allowing that to be changed without
89 * requiring changes to the tools themselves.
91 * \p ModuleType should be default-constructible and derive from
92 * TrajectoryAnalysisModule.
94 * Does not throw. All exceptions are caught and handled internally.
96 template <class ModuleType>
97 static int runAsMain(int argc, char *argv[])
99 return runAsMain(argc, argv, &createModule<ModuleType>);
102 * Registers a command-line module that runs a given module.
104 * \tparam ModuleType Trajectory analysis module.
105 * \param manager Manager to register the module to.
106 * \param name Name of the module to register.
107 * \param description One-line description for the module to register.
109 * \p ModuleType should be default-constructible and derive from
110 * TrajectoryAnalysisModule.
112 * \p name and \p descriptions must be string constants or otherwise
113 * stay valid for the duration of the program execution.
115 template <class ModuleType>
116 static void registerModule(CommandLineModuleManager *manager,
117 const char *name, const char *description)
119 registerModule(manager, name, description, &createModule<ModuleType>);
122 * Registers a command-line module that runs a given module.
124 * \tparam ModuleType Trajectory analysis module.
125 * \param manager Manager to register the module to.
126 * \param name Name of the module to register.
127 * \param description One-line description for the module to register.
128 * \param factory Function that creates the module on demand.
130 * \p name and \p descriptions must be string constants or otherwise
131 * stay valid for the duration of the program execution.
133 * Implements the template registerModule() method, but can also be
134 * used independently.
136 static void registerModule(CommandLineModuleManager *manager,
137 const char *name, const char *description,
138 ModuleFactoryMethod factory);
141 * Create a new runner with the provided module.
143 * \param module Analysis module to run using the runner.
144 * \throws std::bad_alloc if out of memory.
146 * The caller should ensure that the provided module is not destroyed
147 * while the runner exists.
149 TrajectoryAnalysisCommandLineRunner(TrajectoryAnalysisModule *module);
150 ~TrajectoryAnalysisCommandLineRunner();
153 * Sets whether default index groups are initialized.
155 * This is intended only for internal unit testing purposes to avoid
156 * repeated, unnecessary initialization of the default groups, which
157 * can be expensive under, e.g., valgrind.
161 void setUseDefaultGroups(bool bUseDefaults);
163 * Sets the default debugging level for selections.
165 * \param[in] debuglevel Level of debugging verbosity.
167 * This is intended only for use by internal debugging tools.
171 * \see SelectionCollection::setDebugLevel()
173 void setSelectionDebugLevel(int debuglevel);
175 * Parses options from the given command line and runs the analysis.
177 * \throws multiple Exceptions are used to indicate errors.
178 * \returns Zero on success.
180 int run(int argc, char *argv[]);
182 * Prints help for the module, including common options from the runner.
184 * \param[in] context Context object for writing the help.
185 * \throws std::bad_alloc if out of memory.
186 * \throws FileIOError on any I/O error.
188 void writeHelp(const CommandLineHelpContext &context);
192 * Creates a trajectory analysis module of a given type.
194 * \tparam ModuleType Module to create.
196 template <class ModuleType>
197 static TrajectoryAnalysisModulePointer createModule()
199 return TrajectoryAnalysisModulePointer(new ModuleType());
202 //! Implements the template runAsMain() method.
203 static int runAsMain(int argc, char *argv[],
204 ModuleFactoryMethod factory);
208 PrivateImplPointer<Impl> impl_;