cosmetics

maurerben · Oct 5, 2024 · 8c2aaea · 8c2aaea
1 parent 6f505fa
commit 8c2aaea
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Showing 9 changed files with 43 additions and 51 deletions.
diff --git a/.gitignore b/.gitignore
@@ -39,4 +39,5 @@ build/*
 .vscode/
 
 # Test artifacts
-Testing/
+Testing/
+dev/Testing/
diff --git a/dev/app/src/main.cpp b/dev/app/src/main.cpp
@@ -53,5 +53,7 @@ int main(int argc, char* argv[]) {
     auto commandLineArguments = loadCommandLineArguments(argc, argv);
     auto configParameters = setupConfigParameters(commandLineArguments);
 
+
+
     return 0;
 }
diff --git a/dev/libs/data_processing/include/data_processing/config.h b/dev/libs/data_processing/include/data_processing/config.h
@@ -2,19 +2,18 @@
 #define FLASH_CONFIG_H
 
 #include <array>
+#include <cmath>
 #include <iostream>
 #include <string>
 #include <tuple>
 #include <vector>
-#include <cmath>
-
-#include <yaml-cpp/yaml.h>
 
 #include <types/types.h>
+#include <yaml-cpp/yaml.h>
 
 namespace flash {
-namespace data_processing{
-namespace config{
+namespace data_processing {
+namespace config {
 
 /**
  * @brief Throw when an invalid key is detected.

diff --git a/dev/libs/data_processing/include/data_processing/read_hdf5.h b/dev/libs/data_processing/include/data_processing/read_hdf5.h
@@ -6,16 +6,16 @@
 #include <vector>
 
 #include <H5Cpp.h>
+
 #include <types/types.h>
 
 namespace flash {
-namespace data_processing{
+namespace data_processing {
 namespace read_hdf5 {
 
-
 /**
  * @brief Read a \p flash::types::real_dp vector from an HDF5 file
- * 
+ *
  * @param[in] filename Name of the HDF5 file
  * @param[in] datasetName Absolute name of the dataset
  * @return A \p flash::types::DVector initialized with the data from the file
@@ -26,4 +26,4 @@ flash::types::DVector readDoubleVectorHDF5(const std::string &filename, const st
 }  // namespace data_processing
 }  // namespace flash
 
-#endif  // FLASH_READ_H 
+#endif  // FLASH_READ_H
diff --git a/dev/libs/data_processing/src/config.cpp b/dev/libs/data_processing/src/config.cpp
@@ -55,17 +55,14 @@ auto nodeToArray(const YAML::Node &node, bool (*rule)(T value), std::string msg)
 
 Config::Config(const YAML::Node &configYamlNode, const std::vector<std::string> &allowedKeys,
                const std::vector<std::string> &mandatoryKeys, const DefaultConfig &defaults) {
-    // extract keys from yaml node
-
-        std::cout<<configYamlNode["n_k_points"]<<std::endl;
 
+    // extract keys from yaml node
     std::vector<std::string> keysInNode;
     for (auto kv : configYamlNode) {
         auto key = kv.first.as<std::string>();
         keysInNode.push_back(key);
     }
 
-    std::cout<<configYamlNode["n_k_points"]<<std::endl;
     // verify that all keys from keysInNode that are in allowedKeys
     for (auto key : keysInNode) {
         if (std::find(allowedKeys.begin(), allowedKeys.end(), key) == allowedKeys.end()) {
@@ -74,7 +71,6 @@ Config::Config(const YAML::Node &configYamlNode, const std::vector<std::string>
         }
     }
 
-    std::cout<<configYamlNode["n_k_points"]<<std::endl;
     // verify that keys from mandatoryKeys are in keysInNode
     for (auto key : mandatoryKeys) {
         if (std::find(keysInNode.begin(), keysInNode.end(), key) == keysInNode.end()) {
@@ -83,37 +79,36 @@ Config::Config(const YAML::Node &configYamlNode, const std::vector<std::string>
     }
 
     try {
-
         n_k_points = nodeToValue<tp::size>(configYamlNode["n_k_points"], "n_k_points is wrongly initialized.");
         n_occupied_total =
             nodeToValue<tp::size>(configYamlNode["n_occupied_total"], "n_occupied_total is wrongly initialized.");
         n_unoccupied_total =
             nodeToValue<tp::size>(configYamlNode["n_unoccupied_total"], "n_unoccupied_total is wrongly initialized.");
         n_isdf_vexc = nodeToValue<tp::size>(configYamlNode["n_isdf_vexc"], "n_isdf_vexc is wrongly initialized.");
-        n_isdf_wscr_occupied =
-            nodeToValue<tp::size>(configYamlNode["n_isdf_wscr_occupied"], "n_isdf_wscr_occupied is wrongly initialized.");
+        n_isdf_wscr_occupied = nodeToValue<tp::size>(configYamlNode["n_isdf_wscr_occupied"],
+                                                     "n_isdf_wscr_occupied is wrongly initialized.");
         n_isdf_wscr_unoccupied = nodeToValue<tp::size>(configYamlNode["n_isdf_wscr_unoccupied"],
-                                                   "n_isdf_wscr_unoccupied is wrongly initialized.");
+                                                       "n_isdf_wscr_unoccupied is wrongly initialized.");
         max_lanczos_iterations = nodeToValue<tp::size>(configYamlNode["max_lanczos_iterations"],
-                                                   "max_lanczos_iterations is wrongly initialized.");
-        omega_range =
-            nodeToValue<std::array<tp::real_dp, 2>>(configYamlNode["omega_range"], "omega_range is wrongly initialized.");
+                                                       "max_lanczos_iterations is wrongly initialized.");
+        omega_range = nodeToValue<std::array<tp::real_dp, 2>>(configYamlNode["omega_range"],
+                                                              "omega_range is wrongly initialized.");
         n_omega = nodeToValue<tp::size>(configYamlNode["n_omega"], "n_omega is wrongly initialized.");
         max_cvt_iterations =
             nodeToValueWithDefault<tp::size>(configYamlNode, "max_cvt_iterations", defaults.max_cvt_Itereations,
-                                         "max_cvt_iterations is wrongly initialized.");
-        cvt_convergence_criterium = nodeToValueWithDefault<tp::real_dp>(configYamlNode, "cvt_convergence_criterium",
-                                                                 defaults.cvt_convergence_criterium,
-                                                                 "cvt_convergence_criterium is wrongly initialized.");
+                                             "max_cvt_iterations is wrongly initialized.");
+        cvt_convergence_criterium = nodeToValueWithDefault<tp::real_dp>(
+            configYamlNode, "cvt_convergence_criterium", defaults.cvt_convergence_criterium,
+            "cvt_convergence_criterium is wrongly initialized.");
         seed_source = nodeToSeed(configYamlNode, "seed_source", defaults.seed_source);
-        
+
     } catch (const InvalidConfigurationException) {
         throw;
     }
 }
 
-
 void Config::validate() {
+
     // Rule for n_k_points
     if (n_k_points == 0) {
         throw InvalidConfigurationException("n_k_points must be > 0.");
@@ -131,45 +126,45 @@ void Config::validate() {
         throw InvalidConfigurationException("n_occupied_total + n_unoccupied_total must be divisable by n_k_points.");
     }
     // Rules for n_isdf_vexc
-    if (!n_isdf_vexc > 0) {
+    if (n_isdf_vexc == 0) {
         throw InvalidConfigurationException("n_isdf_vexc must be > 0.");
     }
-    if (!n_isdf_vexc <= n_occupied_total * n_unoccupied_total / n_k_points) {
+    if (n_isdf_vexc > n_occupied_total * n_unoccupied_total / n_k_points) {
         throw InvalidConfigurationException(
             "n_isdf_vexc must be <= n_occupied_total * n_unoccupied_total / n_k_points.");
     }
     // Rules for n_isdf_wscr_occupied
-    if (!n_isdf_wscr_occupied > 0) {
+    if (n_isdf_wscr_occupied == 0) {
         throw InvalidConfigurationException("n_isdf_wscr_occupied must be > 0.");
     }
-    if (!n_isdf_wscr_occupied <= std::pow(n_occupied_total, 2)) {
+    if (n_isdf_wscr_occupied > std::pow(n_occupied_total, 2)) {
         throw InvalidConfigurationException("n_isdf_wscr_occupied must be <= n_occupied_total^2.");
     }
     // Rules for n_isdf_wscr_unoccupied
-    if (!n_isdf_wscr_unoccupied > 0) {
+    if (n_isdf_wscr_unoccupied == 0) {
         throw InvalidConfigurationException("n_isdf_wscr_unoccupied must be > 0.");
     }
-    if (!n_isdf_wscr_unoccupied <= std::pow(n_occupied_total, 2)) {
+    if (n_isdf_wscr_unoccupied > std::pow(n_occupied_total, 2)) {
         throw InvalidConfigurationException("n_isdf_wscr_unoccupied must be <= n_occupied_total^2.");
     }
     // Rule for max_lanczos_iterations
-    if (!max_lanczos_iterations > 0) {
+    if (max_lanczos_iterations == 0) {
         throw InvalidConfigurationException("max_lanczos_iterations must be > 0.");
     }
     // Rule for omega_range
-    if (!sizeof(omega_range) == 2) {
+    if (sizeof(omega_range) != 2) {
         throw InvalidConfigurationException("omega_range must contain exactly 2 values.");
     }
-    if (!omega_range[0] < omega_range[1]) {
+    if (omega_range[0] >= omega_range[1]) {
         throw InvalidConfigurationException(
             "Lower limit of omega_range (left value) must be smaller then the upper limit (right value).");
     }
     // Rule for n_omega
-    if (!n_omega > 0) {
+    if (n_omega == 0) {
         throw InvalidConfigurationException("n_omega must be > 0.");
     }
     // Rule for max_cvt_iterations
-    if (!cvt_convergence_criterium > 0) {
+    if (cvt_convergence_criterium == 0) {
         throw InvalidConfigurationException("cvt_convergence_criterium must be > 0.");
     }
 }
diff --git a/dev/libs/data_processing/src/read_hdf5.cpp b/dev/libs/data_processing/src/read_hdf5.cpp
@@ -1,12 +1,10 @@
 #include <data_processing/read_hdf5.h>
 
-
 namespace tp = flash::types;
 using namespace flash::data_processing::read_hdf5;
 
-
 tp::DVector readDoubleVectorHDF5(const std::string &filename, const std::string &datasetName) {
-     try {
+    try {
         // Open the HDF5 file
         H5::H5File file(filename, H5F_ACC_RDONLY);
 
@@ -26,14 +24,11 @@ tp::DVector readDoubleVectorHDF5(const std::string &filename, const std::string
         tp::DVector eigenVector = Eigen::Map<tp::DVector>(buffer.data(), buffer.size());
 
         return eigenVector;
-    }
-    catch (H5::FileIException &error) {
+    } catch (H5::FileIException &error) {
         error.printErrorStack();
-    }
-    catch (H5::DataSetIException &error) {
+    } catch (H5::DataSetIException &error) {
         error.printErrorStack();
-    }
-    catch (H5::DataSpaceIException &error) {
+    } catch (H5::DataSpaceIException &error) {
         error.printErrorStack();
     }
 

diff --git a/dev/libs/types/include/types/types.h b/dev/libs/types/include/types/types.h
@@ -21,7 +21,6 @@ typedef Eigen::Vector<complex_dp, Eigen::Dynamic> CVector;
 typedef Eigen::Matrix<real_dp, Eigen::Dynamic, Eigen::Dynamic> DMatrix;
 typedef Eigen::Matrix<complex_dp, Eigen::Dynamic, Eigen::Dynamic> CMatrix;
 
-
 }  // namespace types
 }  // namespace flash
 

diff --git a/dev/linter/.clang-tidy b/dev/linter/.clang-tidy
@@ -9,6 +9,7 @@ Checks: >
   - bugprone-*
   - misc-*
   - filter-.*
+  - header-filter=.*
   - -* # Disable other checks
 
 WarningsAsErrors: ''

diff --git a/dev/tests/data_processing/src/config_test.cpp b/dev/tests/data_processing/src/config_test.cpp
@@ -1,9 +1,9 @@
 #define CATCH_CONFIG_MAIN
 
-#include <catch2/catch.hpp>
-
 #include <data_processing/config.h>
 
+#include <catch2/catch.hpp>
+
 namespace ftp = flash::types;
 using namespace flash::data_processing::config;