* with all matching terms from test within the given tolerances. */
class EnergyComparison
{
- public:
- //! Defaults for energy comparisons
- static const EnergyTermsToCompare s_defaultEnergyTermsToCompare;
- //! Constructor
- EnergyComparison(const EnergyTermsToCompare &energyTermsToCompare);
- /*! \brief Return the names of energies that will be compared
- *
- * This function can be used to provide an input for
- * openEnergyFileToReadTerms().
- *
- * \todo This returns a copy of the keys, which is convenient, but
- * inefficient. Alternatively, this could return a view of the keys
- * from a range rather than a container, but there's no implementation
- * of that in C++11 at the moment. */
- std::vector<std::string> getEnergyNames() const;
- /*! \brief Compare \c reference with \c test within \c
- * energyTermsToCompare_
- *
- * Ignore any key found in either \c reference or \c test that is not
- * found in the other. For all keys found in both frames, compare the
- * values with EXPECT_REAL_EQ_TOL and the given tolerance for that
- * key. */
- void operator()(const EnergyFrame &reference, const EnergyFrame &test) const;
+public:
+ //! Defaults for energy comparisons
+ static const EnergyTermsToCompare s_defaultEnergyTermsToCompare;
+ //! Constructor
+ EnergyComparison(const EnergyTermsToCompare& energyTermsToCompare);
+ /*! \brief Return the names of energies that will be compared
+ *
+ * This function can be used to provide an input for
+ * openEnergyFileToReadTerms().
+ *
+ * \todo This returns a copy of the keys, which is convenient, but
+ * inefficient. Alternatively, this could return a view of the keys
+ * from a range rather than a container, but there's no implementation
+ * of that in C++11 at the moment. */
+ std::vector<std::string> getEnergyNames() const;
+ /*! \brief Compare \c reference with \c test within \c
+ * energyTermsToCompare_
+ *
+ * Ignore any key found in either \c reference or \c test that is not
+ * found in the other. For all keys found in both frames, compare the
+ * values with EXPECT_REAL_EQ_TOL and the given tolerance for that
+ * key. */
+ void operator()(const EnergyFrame& reference, const EnergyFrame& test) const;
- //! Energy terms to match with given tolerances.
- EnergyTermsToCompare energyTermsToCompare_;
+ //! Energy terms to match with given tolerances.
+ EnergyTermsToCompare energyTermsToCompare_;
};
/*! \brief Check a subset of the energies found in an energy file
* \todo This is quite similar to the functionality used in PmeTest,
* and we should consider reducing the duplication.
*/
-void
-checkEnergiesAgainstReferenceData(const std::string &energyFilename,
- const EnergyTermsToCompare &energyTermsToCompare,
- TestReferenceChecker *checker);
+void checkEnergiesAgainstReferenceData(const std::string& energyFilename,
+ const EnergyTermsToCompare& energyTermsToCompare,
+ TestReferenceChecker* checker);
-} // namespace test
-} // namespace gmx
+} // namespace test
+} // namespace gmx
#endif