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gmx::test::anonymous_namespace{energyoutput.cpp} Namespace Reference

Classes

struct  EnergyOutputTestParameters
 Test parameters space. More...
 
class  EnergyOutputTest
 Test fixture to test energy output. More...
 

Functions

void fcloseWrapper (FILE *fp)
 Wraps fclose to discard the return value to use it as a deleter with gmx::unique_cptr.
 

Variables

const EnergyOutputTestParameters parametersSets []
 Sets of parameters on which to run the tests. More...
 

Variable Documentation

const EnergyOutputTestParameters gmx::test::anonymous_namespace{energyoutput.cpp}::parametersSets[]
Initial value:
= {
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::MD, 1, false, false },
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::MD, 1, true, false },
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::MD, 1, false, true },
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::MD, 0, false, false },
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::MD, 10, false, false },
{ TemperatureCoupling::VRescale, PressureCoupling::No, IntegrationAlgorithm::MD, 1, false, false },
{ TemperatureCoupling::NoseHoover, PressureCoupling::No, IntegrationAlgorithm::MD, 1, false, false },
{ TemperatureCoupling::No, PressureCoupling::ParrinelloRahman, IntegrationAlgorithm::MD, 1, false, false },
{ TemperatureCoupling::No, PressureCoupling::Mttk, IntegrationAlgorithm::MD, 1, false, false },
{ TemperatureCoupling::No, PressureCoupling::No, IntegrationAlgorithm::VV, 1, false, false },
{ TemperatureCoupling::No, PressureCoupling::Mttk, IntegrationAlgorithm::VV, 1, false, false }
}

Sets of parameters on which to run the tests.

Only several combinations of the parameters are used. Using all possible combinations will require ~10 MB of test data and ~2 sec to run the tests.