[FEATURE] Add data_store::validate

include/hibf/layout/data_store.hpp

@@ -44,9 +44,6 @@ struct data_store
     /*!\name References to global instances of the HIBF.
      * \{
      */
-    //!\brief The desired maximum false positive rate of the resulting index.
-    double false_positive_rate{};
-
     //!\brief The layout that is built by layout::hierarchical_binning.
     layout * hibf_layout; // Will be modified by {simple,hierarchical}_binning.
 
@@ -68,6 +65,8 @@ struct data_store
     std::vector<size_t> positions = [this]()
     {
         std::vector<size_t> ps;
+        if (this->kmer_counts == nullptr)
+            return ps; // GCOVR_EXCL_LINE
         ps.resize(this->kmer_counts->size());
         std::iota(ps.begin(), ps.end(), 0);
         return ps;
@@ -93,6 +92,8 @@ struct data_store
     //!\brief Tracks the time the algorithm spends on rearranging user bins (merged bins).
     concurrent_timer rearrangement_timer{};
     //!\}
+
+    void validate() const;
 };
 
 } // namespace seqan::hibf::layout

src/CMakeLists.txt

@@ -11,6 +11,7 @@ set (HIBF_SOURCE_FILES
      layout/compute_fpr_correction.cpp
      layout/compute_layout.cpp
      layout/compute_relaxed_fpr_correction.cpp
+     layout/data_store.cpp
      sketch/compute_sketches.cpp
      layout/graph.cpp
      layout/hierarchical_binning.cpp

src/layout/compute_layout.cpp

@@ -37,8 +37,7 @@ layout compute_layout(config const & config,
 
     layout resulting_layout{};
 
-    data_store store{.false_positive_rate = config.maximum_fpr,
-                     .hibf_layout = &resulting_layout,
+    data_store store{.hibf_layout = &resulting_layout,
                      .kmer_counts = std::addressof(kmer_counts),
                      .sketches = std::addressof(sketches),
                      .positions = std::move(positions)};

src/layout/data_store.cpp

@@ -0,0 +1,33 @@
+// SPDX-FileCopyrightText: 2006-2024, Knut Reinert & Freie Universität Berlin
+// SPDX-FileCopyrightText: 2016-2024, Knut Reinert & MPI für molekulare Genetik
+// SPDX-License-Identifier: BSD-3-Clause
+
+#include <hibf/layout/data_store.hpp> // for data_store
+
+namespace seqan::hibf::layout
+{
+
+void data_store::validate() const
+{
+    if (hibf_layout == nullptr)
+        throw std::invalid_argument{"[HIBF ERROR] data_store::hibf_layout must not be nullptr."};
+
+    if (kmer_counts == nullptr)
+        throw std::invalid_argument{"[HIBF ERROR] data_store::kmer_counts must not be nullptr."};
+
+    if (sketches != nullptr && kmer_counts->size() != sketches->size())
+        throw std::invalid_argument{
+            "[HIBF ERROR] data_store::kmer_counts and data_store::sketches must have the same size."};
+
+    if (positions.size() > kmer_counts->size())
+        throw std::invalid_argument{
+            "[HIBF ERROR] data_store::kmer_counts.size() must not be smaller than data_store::positions.size()."};
+
+    if (fpr_correction.empty())
+        throw std::invalid_argument{"[HIBF ERROR] data_store::fpr_correction must not be empty."};
+
+    if (relaxed_fpr_correction <= 0.0 || relaxed_fpr_correction > 1.0)
+        throw std::invalid_argument{"[HIBF ERROR] data_store::relaxed_fpr_correction must be in (0.0,1.0]."};
+}
+
+} // namespace seqan::hibf::layout

src/layout/hierarchical_binning.cpp

@@ -29,8 +29,7 @@ namespace seqan::hibf::layout
 size_t hierarchical_binning::execute()
 {
     assert(data != nullptr);
-    assert(data->kmer_counts != nullptr);
-    assert(data->positions.size() <= data->kmer_counts->size());
+    data->validate();
 
     static constexpr size_t max_size_t{std::numeric_limits<size_t>::max()};
 
@@ -40,7 +39,9 @@ size_t hierarchical_binning::execute()
 
         if (!config.disable_estimate_union && !config.disable_rearrangement)
         {
-            assert(data->sketches != nullptr);
+            if (data->sketches == nullptr)
+                throw std::invalid_argument{"[HIBF ERROR] data_store::sketches must not be nullptr if union estimation "
+                                            "or rearrangement is enabled."};
             data->rearrangement_timer.start();
             sketch::toolbox::rearrange_bins(*data->sketches,
                                             *data->kmer_counts,
@@ -364,8 +365,7 @@ size_t hierarchical_binning::backtracking(std::vector<std::vector<std::pair<size
 
 data_store hierarchical_binning::initialise_libf_data(size_t const trace_j) const
 {
-    data_store libf_data{.false_positive_rate = data->false_positive_rate,
-                         .hibf_layout = data->hibf_layout,
+    data_store libf_data{.hibf_layout = data->hibf_layout,
                          .kmer_counts = data->kmer_counts,
                          .sketches = data->sketches,
                          .positions = {data->positions[trace_j]},

src/layout/simple_binning.cpp

@@ -19,6 +19,7 @@ namespace seqan::hibf::layout
 size_t simple_binning::execute()
 {
     assert(data != nullptr);
+    data->validate();
     assert(num_technical_bins > 0u);
     assert(num_user_bins > 0u);
 

test/include/hibf/test/expect_throw_msg.hpp

@@ -0,0 +1,56 @@
+// SPDX-FileCopyrightText: 2006-2024, Knut Reinert & Freie Universität Berlin
+// SPDX-FileCopyrightText: 2016-2024, Knut Reinert & MPI für molekulare Genetik
+// SPDX-License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \brief Provides EXPECT_THROW_MSG.
+ * \author Enrico Seiler <enrico.seiler AT fu-berlin.de>
+ */
+
+#pragma once
+
+#include <gtest/gtest.h>
+
+#include <hibf/platform.hpp>
+
+#ifdef EXPECT_THROW_MSG
+#    warning "EXPECT_THROW_MSG is already defined."
+#else
+#    define EXPECT_THROW_MSG(statement, expected_exception, expected_message)                                          \
+        try                                                                                                            \
+        {                                                                                                              \
+            statement;                                                                                                 \
+            std::string const message = "Expected: " #statement " throws an exception of type " #expected_exception    \
+                                        ".\n  Actual: it throws nothing.";                                             \
+            GTEST_NONFATAL_FAILURE_(message.data());                                                                   \
+        }                                                                                                              \
+        catch (expected_exception const & exception)                                                                   \
+        {                                                                                                              \
+            if (auto result = ::testing::internal::EqHelper::Compare("Expected",                                       \
+                                                                     "Actual",                                         \
+                                                                     std::string_view{expected_message},               \
+                                                                     std::string_view{exception.what()});              \
+                !result)                                                                                               \
+            {                                                                                                          \
+                std::string message = #statement " throws the correct exception, but the description is incorrect.\n"; \
+                message += result.failure_message();                                                                   \
+                GTEST_NONFATAL_FAILURE_(message.data());                                                               \
+            }                                                                                                          \
+        }                                                                                                              \
+        catch (std::exception const & exception)                                                                       \
+        {                                                                                                              \
+            std::string message = "Expected: " #statement " throws an exception of type " #expected_exception ".\n  "; \
+            message += "Actual: it throws ";                                                                           \
+            message += ::testing::internal::GetTypeName(typeid(exception));                                            \
+            message += " with description \"";                                                                         \
+            message += exception.what();                                                                               \
+            message += "\".";                                                                                          \
+            GTEST_NONFATAL_FAILURE_(message.data());                                                                   \
+        }                                                                                                              \
+        catch (...)                                                                                                    \
+        {                                                                                                              \
+            std::string message = "Expected: " #statement " throws an exception of type " #expected_exception ".\n  "; \
+            message += "Actual: it throws an unknown exception.";                                                      \
+            GTEST_NONFATAL_FAILURE_(message.data());                                                                   \
+        }
+#endif

test/unit/hibf/config_test.cpp

@@ -14,6 +14,7 @@
 
 #include <hibf/config.hpp>      // for config, insert_iterator
 #include <hibf/test/cereal.hpp> // for test_serialisation
+#include <hibf/test/expect_throw_msg.hpp>
 
 TEST(config_test, write_to)
 {
@@ -139,68 +140,67 @@ TEST(config_test, validate_and_set_defaults)
 {
     auto dummy_input_fn = [](size_t const, seqan::hibf::insert_iterator) {};
 
-    auto check_error_message = [](seqan::hibf::config & configuration, std::string_view const expected_message)
-    {
-        try
-        {
-            configuration.validate_and_set_defaults();
-            FAIL();
-        }
-        catch (std::invalid_argument const & exception)
-        {
-            EXPECT_STREQ(expected_message.data(), exception.what());
-        }
-        catch (...)
-        {
-            FAIL();
-        }
-    };
-
     // input_fn is not set
     {
         seqan::hibf::config configuration{};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] You did not set the required config::input_fn.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] You did not set the required config::input_fn.");
     }
 
     // number_of_user_bins cannot be 0 or bin_kind::merged (18'446'744'073'709'551'615ULL)
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn};
-        check_error_message(configuration,
-                            "[HIBF CONFIG ERROR] You did not set the required config::number_of_user_bins.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] You did not set the required config::number_of_user_bins.");
 
         configuration.number_of_user_bins = 18'446'744'073'709'551'615ULL;
-        check_error_message(configuration,
-                            "[HIBF CONFIG ERROR] The maximum possible config::number_of_user_bins "
-                            "is 18446744073709551614.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] The maximum possible config::number_of_user_bins "
+                         "is 18446744073709551614.");
     }
 
     // number_of_hash_functions must be in [1,5]
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn,
                                           .number_of_user_bins = 1u,
                                           .number_of_hash_functions = 0u};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::number_of_hash_functions must be in [1,5].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::number_of_hash_functions must be in [1,5].");
 
         configuration.number_of_hash_functions = 6u;
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::number_of_hash_functions must be in [1,5].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::number_of_hash_functions must be in [1,5].");
     }
 
     // maximum_fpr must be in (0.0,1.0)
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn, .number_of_user_bins = 1u, .maximum_fpr = 0.0};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::maximum_fpr must be in (0.0,1.0).");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::maximum_fpr must be in (0.0,1.0).");
 
         configuration.maximum_fpr = 1.0;
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::maximum_fpr must be in (0.0,1.0).");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::maximum_fpr must be in (0.0,1.0).");
     }
 
     // relaxed_fpr must be in (0.0,1.0)
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn, .number_of_user_bins = 1u, .relaxed_fpr = 0.0};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::relaxed_fpr must be in (0.0,1.0).");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::relaxed_fpr must be in (0.0,1.0).");
 
         configuration.relaxed_fpr = 1.0;
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::relaxed_fpr must be in (0.0,1.0).");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::relaxed_fpr must be in (0.0,1.0).");
     }
 
     // relaxed_fpr must equal to or greater than maximum_fpr
@@ -209,24 +209,31 @@ TEST(config_test, validate_and_set_defaults)
                                           .number_of_user_bins = 1u,
                                           .maximum_fpr = 0.3,
                                           .relaxed_fpr = 0.2};
-        check_error_message(configuration,
-                            "[HIBF CONFIG ERROR] config::relaxed_fpr must be "
-                            "greater than or equal to config::maximum_fpr.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::relaxed_fpr must be "
+                         "greater than or equal to config::maximum_fpr.");
     }
 
     // threads cannot be 0
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn, .number_of_user_bins = 1u, .threads = 0u};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::threads must be greater than 0.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::threads must be greater than 0.");
     }
 
     // sketch_bits must be in [5,32]
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn, .number_of_user_bins = 1u, .sketch_bits = 4u};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::sketch_bits must be in [5,32].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::sketch_bits must be in [5,32].");
 
         configuration.sketch_bits = 33u;
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::sketch_bits must be in [5,32].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::sketch_bits must be in [5,32].");
     }
 
     // Set default tmax
@@ -260,9 +267,10 @@ TEST(config_test, validate_and_set_defaults)
                                           .number_of_user_bins = 1u,
                                           .tmax = 18'446'744'073'709'551'553ULL};
 
-        check_error_message(configuration,
-                            "[HIBF CONFIG ERROR] The maximum possible config::tmax "
-                            "is 18446744073709551552.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] The maximum possible config::tmax "
+                         "is 18446744073709551552.");
     }
 
     // Given tmax is not a multiple of 64
@@ -282,18 +290,24 @@ TEST(config_test, validate_and_set_defaults)
     // alpha must be positive
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn, .number_of_user_bins = 1u, .alpha = -0.1};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::alpha must be positive.");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::alpha must be positive.");
     }
 
     // max_rearrangement_ratio must be in [0.0,1.0]
     {
         seqan::hibf::config configuration{.input_fn = dummy_input_fn,
                                           .number_of_user_bins = 1u,
                                           .max_rearrangement_ratio = -0.1};
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::max_rearrangement_ratio must be in [0.0,1.0].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::max_rearrangement_ratio must be in [0.0,1.0].");
 
         configuration.max_rearrangement_ratio = 1.1;
-        check_error_message(configuration, "[HIBF CONFIG ERROR] config::max_rearrangement_ratio must be in [0.0,1.0].");
+        EXPECT_THROW_MSG(configuration.validate_and_set_defaults(),
+                         std::invalid_argument,
+                         "[HIBF CONFIG ERROR] config::max_rearrangement_ratio must be in [0.0,1.0].");
     }
 
     // Set disable_rearrangement if disable_estimate_union is set

test/unit/hibf/layout/CMakeLists.txt

@@ -8,3 +8,4 @@ hibf_test (layout_test.cpp)
 hibf_test (fpr_correction_test.cpp)
 hibf_test (graph_test.cpp)
 hibf_test (compute_layout_test.cpp)
+hibf_test (data_store_test.cpp)