src/gromacs/applied_forces/tests/densityfittingoptions.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Tests for density fitting module options.
  38  *
  39  * \author Christian Blau <blau@kth.se>
  40  * \ingroup module_applied_forces
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "gromacs/applied_forces/densityfittingoptions.h"
  45
  46 #include <gtest/gtest.h>
  47
  48 #include "gromacs/options/options.h"
  49 #include "gromacs/options/treesupport.h"
  50 #include "gromacs/utility/keyvaluetreebuilder.h"
  51 #include "gromacs/utility/keyvaluetreemdpwriter.h"
  52 #include "gromacs/utility/keyvaluetreetransform.h"
  53 #include "gromacs/utility/stringcompare.h"
  54 #include "gromacs/utility/stringstream.h"
  55 #include "gromacs/utility/textwriter.h"
  56
  57 #include "testutils/testasserts.h"
  58 #include "testutils/testmatchers.h"
  59
  60
  61 namespace gmx
  62 {
  63
  64 namespace
  65 {
  66
  67 TEST(DensityFittingOptionsTest, DefaultParameters)
  68 {
  69     DensityFittingOptions densityFittingOptions;
  70     EXPECT_FALSE(densityFittingOptions.buildParameters().active_);
  71 }
  72
  73 TEST(DensityFittingOptionsTest, OptionSetsActive)
  74 {
  75     DensityFittingOptions densityFittingOptions;
  76     EXPECT_FALSE(densityFittingOptions.buildParameters().active_);
  77
  78     // Prepare MDP inputs
  79     KeyValueTreeBuilder mdpValueBuilder;
  80     mdpValueBuilder.rootObject().addValue("density-guided-simulation-active",
  81                                           std::string("yes"));
  82     KeyValueTreeObject  densityFittingMdpValues = mdpValueBuilder.build();
  83
  84     // set up options
  85     Options densityFittingModuleOptions;
  86     densityFittingOptions.initMdpOptions(&densityFittingModuleOptions);
  87
  88     // Add rules to transform mdp inputs to densityFittingModule data
  89     KeyValueTreeTransformer transform;
  90     transform.rules()->addRule().keyMatchType("/", StringCompareType::CaseAndDashInsensitive);
  91
  92     densityFittingOptions.initMdpTransform(transform.rules());
  93
  94     // Execute the transform on the mdpValues
  95     auto transformedMdpValues = transform.transform(densityFittingMdpValues, nullptr);
  96     assignOptionsFromKeyValueTree(&densityFittingModuleOptions, transformedMdpValues.object(), nullptr);
  97
  98     EXPECT_TRUE(densityFittingOptions.buildParameters().active_);
  99 }
 100
 101 TEST(DensityFittingOptionsTest, OutputDefaultValues)
 102 {
 103     // Transform module data into a flat key-value tree for output.
 104
 105     StringOutputStream        stream;
 106     KeyValueTreeBuilder       builder;
 107     KeyValueTreeObjectBuilder builderObject = builder.rootObject();
 108
 109     DensityFittingOptions     densityFittingOptions;
 110     densityFittingOptions.buildMdpOutput(&builderObject);
 111
 112     {
 113         TextWriter writer(&stream);
 114         writeKeyValueTreeAsMdp(&writer, builder.build());
 115     }
 116     stream.close();
 117
 118     EXPECT_EQ(stream.toString(), std::string("density-guided-simulation-active = false\n"));
 119 }
 120
 121 } // namespace
 122
 123 } // namespace gmx