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Adds missing test for validating Species and Phase #228

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Merged
merged 5 commits into from
Oct 29, 2025
Merged

Adds missing test for validating Species and Phase #228

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498f4d4
use parse reaction component function
boulderdaze Oct 28, 2025
e5e79c9
include tylor series reaction to the full config
boulderdaze Oct 28, 2025
238c03a
add missing tests and update the test names
boulderdaze Oct 28, 2025
a963ea0
Merge branch 'main' into 170-add-validation-tests
boulderdaze Oct 28, 2025
b510b5f
use set to check the error type
boulderdaze Oct 28, 2025
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2 changes: 1 addition & 1 deletion include/mechanism_configuration/development/reaction_types.hpp
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Expand Up @@ -102,7 +102,7 @@ namespace mechanism_configuration
/// @brief A list of products
std::vector<ReactionComponent> products;
/// @brief An identifier, optional, uniqueness not enforced
std::string name;
std::string name;
/// @brief An identifier for the condensed phase where this reaction occurs
std::string condensed_phase;
/// @brief Unknown properties, prefixed with two underscores (__)
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10 changes: 6 additions & 4 deletions test/integration/test_development_parser.cpp
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Expand Up @@ -5,7 +5,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, ParsesFullDevelopmentConfiguration)
TEST(ParseDevFullConfig, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -34,10 +34,12 @@ TEST(ParserBase, ParsesFullDevelopmentConfiguration)
EXPECT_EQ(mechanism.reactions.photolysis.size(), 1);
EXPECT_EQ(mechanism.reactions.simpol_phase_transfer.size(), 1);
EXPECT_EQ(mechanism.reactions.surface.size(), 1);
EXPECT_EQ(mechanism.reactions.troe.size(), 1);
EXPECT_EQ(mechanism.reactions.taylor_series.size(), 1);
EXPECT_EQ(mechanism.reactions.ternary_chemical_activation.size(), 1);
EXPECT_EQ(mechanism.reactions.troe.size(), 1);
EXPECT_EQ(mechanism.reactions.tunneling.size(), 1);
EXPECT_EQ(mechanism.reactions.user_defined.size(), 1);
EXPECT_EQ(mechanism.reactions.wet_deposition.size(), 1);

EXPECT_EQ(mechanism.species[1].constant_concentration.has_value(), true);
EXPECT_EQ(mechanism.species[1].constant_concentration.value(), 1.0e19);
Expand All @@ -52,7 +54,7 @@ TEST(ParserBase, ParsesFullDevelopmentConfiguration)
}
}

TEST(ParserBase, ParserReportsBadFiles)
TEST(ParseDevFullConfig, ReportsBadFiles)
{
development::Parser parser;
std::vector<std::string> extensions = { ".yaml", ".json" };
Expand All @@ -66,7 +68,7 @@ TEST(ParserBase, ParserReportsBadFiles)
}
}

TEST(ParserBase, ParserReportsDirectory)
TEST(ParseDevFullConfig, ReportsDirectory)
{
development::Parser parser;
std::string path = "examples/";
Expand Down
6 changes: 3 additions & 3 deletions test/unit/development/models/test_parse_gas_model.cpp
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Expand Up @@ -4,7 +4,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidGasModel)
TEST(ParseGas, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -20,7 +20,7 @@ TEST(ParserBase, CanParseValidGasModel)
}
}

TEST(ParserBase, GasModelMissingPhase)
TEST(ParseGas, MissingPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -41,7 +41,7 @@ TEST(ParserBase, GasModelMissingPhase)
}
}

TEST(ParserBase, GasModelPhaseNotFoundInRegisteredPhases)
TEST(ParseGas, PhaseNotFoundInRegisteredPhases)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down
45 changes: 25 additions & 20 deletions test/unit/development/models/test_parse_modal.cpp
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Expand Up @@ -4,7 +4,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidModalModel)
TEST(ParseModal, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -37,47 +37,50 @@ TEST(ParserBase, CanParseValidModalModel)
}
}

TEST(ParserBase, MissingModes)
TEST(ParseModal, MissingModes)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
for (auto& extension : extensions)
{
auto parsed = parser.Parse(std::string("development_unit_configs/models/modal/missing_modes") + extension);
EXPECT_FALSE(parsed);
development::types::Mechanism mechanism = *parsed;

EXPECT_EQ(parsed.errors.size(), 1);
EXPECT_EQ(parsed.errors[0].first, ConfigParseStatus::RequiredKeyNotFound);

for (auto& error : parsed.errors)
std::multiset<ConfigParseStatus> expected = { ConfigParseStatus::RequiredKeyNotFound };
std::multiset<ConfigParseStatus> actual;
for (const auto& [status, message] : parsed.errors)
{
std::cout << error.second << " " << configParseStatusToString(error.first) << std::endl;
actual.insert(status);
std::cout << message << " " << configParseStatusToString(status) << std::endl;
}
EXPECT_EQ(actual, expected);
}
}

TEST(ParserBase, MissingModalMemberData)
TEST(ParseModal, MissingModalMemberData)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
for (auto& extension : extensions)
{
auto parsed = parser.Parse(std::string("development_unit_configs/models/modal/missing_modal_variable") + extension);
EXPECT_FALSE(parsed);
development::types::Mechanism mechanism = *parsed;

EXPECT_EQ(parsed.errors.size(), 2);
EXPECT_EQ(parsed.errors[0].first, ConfigParseStatus::RequiredKeyNotFound);
EXPECT_EQ(parsed.errors[1].first, ConfigParseStatus::RequiredKeyNotFound);
for (auto& error : parsed.errors)

std::multiset<ConfigParseStatus> expected = { ConfigParseStatus::RequiredKeyNotFound,
ConfigParseStatus::RequiredKeyNotFound };
std::multiset<ConfigParseStatus> actual;
for (const auto& [status, message] : parsed.errors)
{
std::cout << error.second << " " << configParseStatusToString(error.first) << std::endl;
actual.insert(status);
std::cout << message << " " << configParseStatusToString(status) << std::endl;
}
EXPECT_EQ(actual, expected);
}
}

TEST(ParserBase, PhaseInModeNotFoundInRegisteredPhase)
TEST(ParseModal, PhaseInModeNotFoundInRegisteredPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -86,13 +89,15 @@ TEST(ParserBase, PhaseInModeNotFoundInRegisteredPhase)
auto parsed =
parser.Parse(std::string("development_unit_configs/models/modal/mode_phase_not_found_in_phases") + extension);
EXPECT_FALSE(parsed);
development::types::Mechanism mechanism = *parsed;

EXPECT_EQ(parsed.errors.size(), 1);
EXPECT_EQ(parsed.errors[0].first, ConfigParseStatus::UnknownPhase);
for (auto& error : parsed.errors)

std::multiset<ConfigParseStatus> expected = { ConfigParseStatus::UnknownPhase };
std::multiset<ConfigParseStatus> actual;
for (const auto& [status, message] : parsed.errors)
{
std::cout << error.second << " " << configParseStatusToString(error.first) << std::endl;
actual.insert(status);
std::cout << message << " " << configParseStatusToString(status) << std::endl;
}
EXPECT_EQ(actual, expected);
}
}
10 changes: 5 additions & 5 deletions test/unit/development/reactions/test_parse_aqueous_equilibrium.cpp
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Expand Up @@ -7,7 +7,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidAqueousEquilibriumReaction)
TEST(ParseAqueousEquilibrium, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -52,7 +52,7 @@ TEST(ParserBase, CanParseValidAqueousEquilibriumReaction)
}
}

TEST(ParserBase, AqueousEquilibriumDetectsUnknownSpecies)
TEST(ParseAqueousEquilibrium, DetectsUnknownSpecies)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -75,7 +75,7 @@ TEST(ParserBase, AqueousEquilibriumDetectsUnknownSpecies)
}
}

TEST(ParserBase, AqueousEquilibriumDetectsBadReactionComponent)
TEST(ParseAqueousEquilibrium, DetectsBadReactionComponent)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -98,7 +98,7 @@ TEST(ParserBase, AqueousEquilibriumDetectsBadReactionComponent)
}
}

TEST(ParserBase, AqueousEquilibriumDetectsUnknownPhase)
TEST(ParseAqueousEquilibrium, DetectsUnknownPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -120,7 +120,7 @@ TEST(ParserBase, AqueousEquilibriumDetectsUnknownPhase)
}
}

TEST(ParserBase, AqueousEquilibriumUnknownSpeciesUnknownPhaseFailsValidation)
TEST(ValidateAqueousEquilibrium, UnknownSpeciesUnknownPhaseFailsValidation)
{
using namespace development;

Expand Down
12 changes: 6 additions & 6 deletions test/unit/development/reactions/test_parse_arrhenius.cpp
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Expand Up @@ -7,7 +7,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidArrheniusReaction)
TEST(ParseArrhenius, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -71,7 +71,7 @@ TEST(ParserBase, CanParseValidArrheniusReaction)
}
}

TEST(ParserBase, ArrheniusDetectsUnknownSpecies)
TEST(ParseArrhenius, DetectsUnknownSpecies)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -96,7 +96,7 @@ TEST(ParserBase, ArrheniusDetectsUnknownSpecies)
}
}

TEST(ParserBase, ArrheniusDetectsMutuallyExclusiveOptions)
TEST(ParseArrhenius, DetectsMutuallyExclusiveOptions)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -118,7 +118,7 @@ TEST(ParserBase, ArrheniusDetectsMutuallyExclusiveOptions)
}
}

TEST(ParserBase, ArrheniusDetectsBadReactionComponent)
TEST(ParseArrhenius, DetectsBadReactionComponent)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -140,7 +140,7 @@ TEST(ParserBase, ArrheniusDetectsBadReactionComponent)
}
}

TEST(ParserBase, ArrheniusDetectsUnknownPhase)
TEST(ParseArrhenius, DetectsUnknownPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -162,7 +162,7 @@ TEST(ParserBase, ArrheniusDetectsUnknownPhase)
}
}

TEST(ParserBase, ArrheniusMutuallyExclusiveEaAndCFailsValidation)
TEST(ValidateArrhenius, MutuallyExclusiveEaAndCFailsValidation)
{
using namespace development;

Expand Down
12 changes: 6 additions & 6 deletions test/unit/development/reactions/test_parse_branched.cpp
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Expand Up @@ -7,7 +7,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidBranchedReaction)
TEST(ParseBranched, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -43,7 +43,7 @@ TEST(ParserBase, CanParseValidBranchedReaction)
}
}

TEST(ParserBase, BranchedDetectsUnknownSpecies)
TEST(ParseBranched, DetectsUnknownSpecies)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -66,7 +66,7 @@ TEST(ParserBase, BranchedDetectsUnknownSpecies)
}
}

TEST(ParserBase, BranchedDetectsBadReactionComponent)
TEST(ParseBranched, DetectsBadReactionComponent)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -88,7 +88,7 @@ TEST(ParserBase, BranchedDetectsBadReactionComponent)
}
}

TEST(ParserBase, BranchedDetectsUnknownPhase)
TEST(ParseBranched, DetectsUnknownPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -110,7 +110,7 @@ TEST(ParserBase, BranchedDetectsUnknownPhase)
}
}

TEST(ParserBase, BranchedMissingRequiredKeyFailsValidation)
TEST(ParseBranched, MissingRequiredKeyFailsValidation)
{
using namespace development;

Expand Down Expand Up @@ -142,7 +142,7 @@ TEST(ParserBase, BranchedMissingRequiredKeyFailsValidation)
EXPECT_EQ(actual, expected);
}

TEST(ParserBase, BranchedUnknownSpeciesAndUnknownPhaseFailsValidation)
TEST(ValidateBranched, UnknownSpeciesAndUnknownPhaseFailsValidation)
{
using namespace development;

Expand Down
14 changes: 7 additions & 7 deletions test/unit/development/reactions/test_parse_condensed_phase_arrhenius.cpp
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Expand Up @@ -7,7 +7,7 @@

using namespace mechanism_configuration;

TEST(ParserBase, CanParseValidCondensedPhaseArrheniusReaction)
TEST(ParseCondensedPhaseArrhenius, ParseValidConfig)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand Down Expand Up @@ -72,7 +72,7 @@ TEST(ParserBase, CanParseValidCondensedPhaseArrheniusReaction)
}
}

TEST(ParserBase, CondensedPhaseArrheniusDetectsUnknownSpecies)
TEST(ParseCondensedPhaseArrhenius, DetectsUnknownSpecies)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -96,7 +96,7 @@ TEST(ParserBase, CondensedPhaseArrheniusDetectsUnknownSpecies)
}
}

TEST(ParserBase, CondensedPhaseArrheniusDetectsMutuallyExclusiveOptions)
TEST(ParseCondensedPhaseArrhenius, DetectsMutuallyExclusiveOptions)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -119,7 +119,7 @@ TEST(ParserBase, CondensedPhaseArrheniusDetectsMutuallyExclusiveOptions)
}
}

TEST(ParserBase, CondensedPhaseArrheniusDetectsBadReactionComponent)
TEST(ParseCondensedPhaseArrhenius, DetectsBadReactionComponent)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -142,7 +142,7 @@ TEST(ParserBase, CondensedPhaseArrheniusDetectsBadReactionComponent)
}
}

TEST(ParserBase, CondensedPhaseArrheniusDetectsWhenRequestedSpeciesAreNotInAqueousPhase)
TEST(ParseCondensedPhaseArrhenius, DetectsWhenRequestedSpeciesAreNotInAqueousPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -165,7 +165,7 @@ TEST(ParserBase, CondensedPhaseArrheniusDetectsWhenRequestedSpeciesAreNotInAqueo
}
}

TEST(ParserBase, CondensedPhaseArrheniusDetectsMissingPhase)
TEST(ParseCondensedPhaseArrhenius, DetectsMissingPhase)
{
development::Parser parser;
std::vector<std::string> extensions = { ".json", ".yaml" };
Expand All @@ -187,7 +187,7 @@ TEST(ParserBase, CondensedPhaseArrheniusDetectsMissingPhase)
}
}

TEST(ParserBase, CondensedPhaseArrheniusMutuallyExclusiveEaAndCFailsValidation)
TEST(ValidateCondensedPhaseArrhenius, MutuallyExclusiveEaAndCFailsValidation)
{
using namespace development;

Expand Down
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