* \throws InconsistentInputError When builder can not create the CoordinateFile.
* \returns unique_ptr to new CoordinateFile object.
*/
-inline TrajectoryFrameWriterPointer
-createMinimalTrajectoryFrameWriter(const std::string &filename,
- const TopologyInformation &topology,
- const Selection &selection,
- OutputRequirements requirements)
+inline TrajectoryFrameWriterPointer createMinimalTrajectoryFrameWriter(const std::string& filename,
+ const TopologyInformation& topology,
+ const Selection& selection,
+ OutputRequirements requirements)
{
- return createTrajectoryFrameWriter(topology.mtop(),
- selection,
- filename,
+ return createTrajectoryFrameWriter(topology.mtop(), selection, filename,
topology.hasTopology() ? topology.copyAtoms() : nullptr,
requirements);
}
*/
class ModuleSelection
{
- public:
- ModuleSelection() : manager_(&sc_)
- {
- options_.addManager(&manager_);
- sc_.setReferencePosType("atom");
- sc_.setOutputPosType("atom");
- top_.fillFromInputFile(TestFileManager::getInputFilePath("lysozyme.pdb"));
- sc_.setTopology(top_.mtop(), 0);
- }
-
- /*! \brief
- * Method to add a valid selection option to the Module, or an invalid
- * one for testing.
- *
- * \param[in] sel Selection to add option to.
- * \param[in] useValid Set if the added selection should be valid for the module.
- */
- void addOptionForSelection(Selection *sel, bool useValid);
-
- /*! \brief
- * Set the actual values for the selection.
- *
- * \param[in] options Option to set values for.
- * \param[in] sel Selection to use.
- * \param[in] useValid Set if the added selection should be valid for the module.
- */
- void setSelectionOptionValues(Options *options, Selection *sel, bool useValid);
-
- /*! \brief
- * Get pointer to options to set values.
- *
- * \returns Pointer to options.
- */
- Options *getOption() { return &options_; }
-
- private:
- //! Selection collection used for handling test selection.
- SelectionCollection sc_;
- //! Selection manager for test selection.
- SelectionOptionManager manager_;
- //! Options manager for test selection input.
- Options options_;
- //! Topology information needed for test selection atoms.
- TopologyInformation top_;
+public:
+ ModuleSelection() : manager_(&sc_)
+ {
+ options_.addManager(&manager_);
+ sc_.setReferencePosType("atom");
+ sc_.setOutputPosType("atom");
+ top_.fillFromInputFile(TestFileManager::getInputFilePath("lysozyme.pdb"));
+ sc_.setTopology(top_.mtop(), 0);
+ }
+ /*! \brief
+ * Method to add a valid selection option to the Module, or an invalid
+ * one for testing.
+ *
+ * \param[in] sel Selection to add option to.
+ * \param[in] useValid Set if the added selection should be valid for the module.
+ */
+ void addOptionForSelection(Selection* sel, bool useValid);
+
+ /*! \brief
+ * Set the actual values for the selection.
+ *
+ * \param[in] options Option to set values for.
+ * \param[in] sel Selection to use.
+ * \param[in] useValid Set if the added selection should be valid for the module.
+ */
+ void setSelectionOptionValues(Options* options, Selection* sel, bool useValid);
+
+ /*! \brief
+ * Get pointer to options to set values.
+ *
+ * \returns Pointer to options.
+ */
+ Options* getOption() { return &options_; }
+
+private:
+ //! Selection collection used for handling test selection.
+ SelectionCollection sc_;
+ //! Selection manager for test selection.
+ SelectionOptionManager manager_;
+ //! Options manager for test selection input.
+ Options options_;
+ //! Topology information needed for test selection atoms.
+ TopologyInformation top_;
};
-inline void
-ModuleSelection::addOptionForSelection(Selection *sel, bool useValid)
+inline void ModuleSelection::addOptionForSelection(Selection* sel, bool useValid)
{
if (useValid)
{
}
}
-inline void
-ModuleSelection::setSelectionOptionValues(Options *options, Selection *sel, bool useValid)
+inline void ModuleSelection::setSelectionOptionValues(Options* options, Selection* sel, bool useValid)
{
OptionsAssigner assigner(options);
assigner.start();
/*! \libinternal \brief
* Test fixture to test matching file types for modules.
*/
-class ModuleTest : public gmx::test::CommandLineTestBase,
- public ::testing::WithParamInterface<const char *>
+class ModuleTest : public gmx::test::CommandLineTestBase, public ::testing::WithParamInterface<const char*>
{
- public:
- /*! \brief
- * Run the builder to create an TrajectoryFrameWriter during tests.
- *
- * \param[in] filename Name for output file, to determine filetype during construction.
- * \param[in] requirements Requirements for adding to the object.
- * \returns The newly created object.
- */
- TrajectoryFrameWriterPointer
- runTest(const char *filename, const OutputRequirements &requirements)
- {
- return createMinimalTrajectoryFrameWriter(filename,
- dummyTopology_,
- dummySelection_,
- requirements);
- }
- //! Add topology information to test if needed.
- void addTopology()
- {
- dummyTopology_.fillFromInputFile(
- TestFileManager::getInputFilePath("lysozyme.pdb"));
- }
- //! Dummy topology to use to create CoordinateFile.
- TopologyInformation dummyTopology_;
- //! Dummy selection.
- Selection dummySelection_;
+public:
+ /*! \brief
+ * Run the builder to create an TrajectoryFrameWriter during tests.
+ *
+ * \param[in] filename Name for output file, to determine filetype during construction.
+ * \param[in] requirements Requirements for adding to the object.
+ * \returns The newly created object.
+ */
+ TrajectoryFrameWriterPointer runTest(const char* filename, const OutputRequirements& requirements)
+ {
+ return createMinimalTrajectoryFrameWriter(filename, dummyTopology_, dummySelection_, requirements);
+ }
+ //! Add topology information to test if needed.
+ void addTopology()
+ {
+ dummyTopology_.fillFromInputFile(TestFileManager::getInputFilePath("lysozyme.pdb"));
+ }
+ //! Dummy topology to use to create CoordinateFile.
+ TopologyInformation dummyTopology_;
+ //! Dummy selection.
+ Selection dummySelection_;
};
} // namespace test
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff