feat: use timerId instead of raw strings for timer identification

.cmake/testing.cmake

@@ -1,21 +1,3 @@
-find_package(Git QUIET)
-
-if(Git_FOUND AND EXISTS "${PROJECT_SOURCE_DIR}/.git")
-    # Update submodules as needed
-    option(GIT_SUBMODULE "Check submodules during build" ON)
-
-    if(GIT_SUBMODULE)
-        message(STATUS "Submodule update")
-        execute_process(COMMAND ${GIT_EXECUTABLE} submodule update --init --recursive
-            WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
-            RESULT_VARIABLE GIT_SUBMOD_RESULT)
-
-        if(NOT GIT_SUBMOD_RESULT EQUAL "0")
-            message(FATAL_ERROR "git submodule update --init failed with ${GIT_SUBMOD_RESULT}, please checkout submodules")
-        endif()
-    endif()
-endif()
-
 set(gtest_force_shared_crt ON CACHE BOOL "" FORCE)
 
 # Suppress project warning policy for googletest library
@@ -80,4 +62,4 @@ if(${BUILD_WITH_GCOVR})
     )
 endif()
 
-add_definitions(-DWITH_TESTS)
+add_definitions(-DWITH_TESTS)

CMakeLists.txt

@@ -165,6 +165,24 @@ endif()
 # ************************
 set(CODE_INCLUDE_DIR ${PROJECT_SOURCE_DIR}/include)
 
+find_package(Git QUIET)
+
+if(Git_FOUND AND EXISTS "${PROJECT_SOURCE_DIR}/.git")
+    # Update submodules as needed
+    option(GIT_SUBMODULE "Check submodules during build" ON)
+
+    if(GIT_SUBMODULE)
+        message(STATUS "Submodule update")
+        execute_process(COMMAND ${GIT_EXECUTABLE} submodule update --init --recursive
+            WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
+            RESULT_VARIABLE GIT_SUBMOD_RESULT)
+
+        if(NOT GIT_SUBMOD_RESULT EQUAL "0")
+            message(FATAL_ERROR "git submodule update --init failed with ${GIT_SUBMOD_RESULT}, please checkout submodules")
+        endif()
+    endif()
+endif()
+
 include(eigen)
 
 if(BUILD_WITH_MPI)
@@ -184,6 +202,9 @@ if(BUILD_WITH_TESTS)
     include(testing)
 endif()
 
+add_library(mstd INTERFACE)
+target_include_directories(mstd INTERFACE ${PROJECT_SOURCE_DIR}/external/mstd/include)
+
 add_subdirectory(src)
 
 if(BUILD_WITH_TESTS)

changes/developer/enhancement.timer.md

@@ -1 +1,2 @@
 - add guarded RAII approach for starting and automatically stopping a timings section with its destructor
+- use a dedicated enum class for timers to make it less error prone

include/timings/timer.hpp

@@ -28,6 +28,7 @@
 #include <string>    // for string
 #include <vector>    // for vector
 
+#include "timerId.hpp"
 #include "timingsSection.hpp"   // for TimingsManager
 #include "timingsSectionGuard.hpp"
 
@@ -48,12 +49,12 @@ namespace timings
     class Timer
     {
        protected:
-        std::string _name = "DefaultTimings";
+        TimerId _id = TimerId::DefaultTimings;
 
         std::vector<TimingsSection> _timingDetails;
 
        public:
-        explicit Timer(const std::string_view);
+        explicit Timer(TimerId id);
         Timer() = default;
 
         [[nodiscard]]
@@ -75,7 +76,7 @@ namespace timings
          * standard setters *
          ********************/
 
-        void setTimerName(const std::string_view name);
+        void setTimerId(TimerId id);
 
         /********************
          * standard getters *

include/timings/timerId.hpp

@@ -0,0 +1,56 @@
+/*****************************************************************************
+<GPL_HEADER>
+
+    PQ
+    Copyright (C) 2023-now  Jakob Gamper
+
+    This program is free software: you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+<GPL_HEADER>
+******************************************************************************/
+
+#ifndef _TIMER_ID_HPP_
+#define _TIMER_ID_HPP_
+
+#include <cstdint>
+#include <mstd/enum.hpp>
+#include <string>
+
+#define TIMER_ID_LIST(X)   \
+    X(DefaultTimings)      \
+    X(EngineOutput)        \
+    X(Constraints)         \
+    X(CellList)            \
+    X(PhysicalData)        \
+    X(Simulation)          \
+    X(Integrator)          \
+    X(Thermostat)          \
+    X(Manostat)            \
+    X(Output)              \
+    X(Potential)           \
+    X(IntraNonBonded)      \
+    X(Virial)              \
+    X(ResetKinetics)       \
+    X(WaterIntraPotential) \
+    X(WaterInterPotential) \
+    X(QMEngine)            \
+    X(Setup)
+
+// TODO: fix this in mstd
+// NOLINTNEXTLINE(cppcoreguidelines-pro-bounds-constant-array-index)
+MSTD_ENUM(TimerId, std::uint8_t, TIMER_ID_LIST);
+
+std::string toString(TimerId id);
+
+#endif   // _TIMER_ID_HPP_

src/engine/hessianEngine.cpp

@@ -485,22 +485,22 @@ void HessianEngine::writeHessianInfo(const HessianMatrix &hessian) const
 
 void HessianEngine::addTimers()
 {
-    _engineOutput.setTimerName("Output");
+    _engineOutput.setTimerId(TimerId::Output);
     _timer.addTimer(_engineOutput.getTimer());
 
-    _constraints->setTimerName("Constraints");
+    _constraints->setTimerId(TimerId::Constraints);
     _timer.addTimer(_constraints->getTimer());
 
-    _cellList->setTimerName("Cell List");
+    _cellList->setTimerId(TimerId::CellList);
     _timer.addTimer(_cellList->getTimer());
 
-    _potential->setTimerName("Potential");
+    _potential->setTimerId(TimerId::Potential);
     _timer.addTimer(_potential->getTimer());
 
-    _intraNonBonded->setTimerName("IntraNonBonded");
+    _intraNonBonded->setTimerId(TimerId::IntraNonBonded);
     _timer.addTimer(_intraNonBonded->getTimer());
 
-    _physicalData->setTimerName("Physical Data");
+    _physicalData->setTimerId(TimerId::PhysicalData);
     _timer.addTimer(_physicalData->getTimer());
 }
 

src/engine/mdEngine.cpp

@@ -77,49 +77,49 @@ void MDEngine::run()
 
     const auto elapsedTime = double(_timer.calculateElapsedTime()) * 1e-3;
 
-    _engineOutput.setTimerName("Output");
+    _engineOutput.setTimerId(TimerId::Output);
     _timer.addTimer(_engineOutput.getTimer());
 
-    _thermostat->setTimerName("Thermostat");
+    _thermostat->setTimerId(TimerId::Thermostat);
     _timer.addTimer(_thermostat->getTimer());
 
-    _integrator->setTimerName("Integrator");
+    _integrator->setTimerId(TimerId::Integrator);
     _timer.addTimer(_integrator->getTimer());
 
-    _constraints->setTimerName("Constraints");
+    _constraints->setTimerId(TimerId::Constraints);
     _timer.addTimer(_constraints->getTimer());
 
-    _cellList->setTimerName("Cell List");
+    _cellList->setTimerId(TimerId::CellList);
     _timer.addTimer(_cellList->getTimer());
 
-    _potential->setTimerName("Potential");
+    _potential->setTimerId(TimerId::Potential);
     _timer.addTimer(_potential->getTimer());
 
-    _intraNonBonded->setTimerName("IntraNonBonded");
+    _intraNonBonded->setTimerId(TimerId::IntraNonBonded);
     _timer.addTimer(_intraNonBonded->getTimer());
 
-    _virial->setTimerName("Virial");
+    _virial->setTimerId(TimerId::Virial);
     _timer.addTimer(_virial->getTimer());
 
-    _physicalData->setTimerName("Physical Data");
+    _physicalData->setTimerId(TimerId::PhysicalData);
     _timer.addTimer(_physicalData->getTimer());
 
-    _manostat->setTimerName("Manostat");
+    _manostat->setTimerId(TimerId::Manostat);
     _timer.addTimer(_manostat->getTimer());
 
-    _resetKinetics.setTimerName("Reset Kinetics");
+    _resetKinetics.setTimerId(TimerId::ResetKinetics);
     _timer.addTimer(_resetKinetics.getTimer());
 
-    _intraWater->setTimerName("Water Intra Potential");
+    _intraWater->setTimerId(TimerId::WaterIntraPotential);
     _timer.addTimer(_intraWater->getTimer());
 
-    _interWater->setTimerName("Water Inter Potential");
+    _interWater->setTimerId(TimerId::WaterInterPotential);
     _timer.addTimer(_interWater->getTimer());
 
     if (Settings::isQMActivated())
     {
-        dynamic_cast<QMCapableEngine *>(this)->getQMRunner()->setTimerName(
-            "QM Engine"
+        dynamic_cast<QMCapableEngine *>(this)->getQMRunner()->setTimerId(
+            TimerId::QMEngine
         );
         _timer.addTimer(
             dynamic_cast<QMCapableEngine *>(this)->getQMRunner()->getTimer()

src/engine/optEngine.cpp

@@ -91,22 +91,22 @@ void OptEngine::run()
 
     const auto elapsedTime = double(_timer.calculateElapsedTime()) * 1e-3;
 
-    _engineOutput.setTimerName("Output");
+    _engineOutput.setTimerId(TimerId::Output);
     _timer.addTimer(_engineOutput.getTimer());
 
-    _constraints->setTimerName("Constraints");
+    _constraints->setTimerId(TimerId::Constraints);
     _timer.addTimer(_constraints->getTimer());
 
-    _cellList->setTimerName("Cell List");
+    _cellList->setTimerId(TimerId::CellList);
     _timer.addTimer(_cellList->getTimer());
 
-    _potential->setTimerName("Potential");
+    _potential->setTimerId(TimerId::Potential);
     _timer.addTimer(_potential->getTimer());
 
-    _intraNonBonded->setTimerName("IntraNonBonded");
+    _intraNonBonded->setTimerId(TimerId::IntraNonBonded);
     _timer.addTimer(_intraNonBonded->getTimer());
 
-    _physicalData->setTimerName("Physical Data");
+    _physicalData->setTimerId(TimerId::PhysicalData);
     _timer.addTimer(_physicalData->getTimer());
 
     _engineOutput.writeTimingsFile(_timer);

src/setup/setup.cpp

@@ -74,7 +74,7 @@ using namespace setup::resetKinetics;
  */
 void setup::setupRequestedJob(const std::string& inputFileName, Engine& engine)
 {
-    auto setupTimer = Timer("Setup");
+    auto setupTimer = Timer(TimerId::Setup);
 
     auto _ = setupTimer.scoped("TotalSetup");
 

src/timings/CMakeLists.txt

@@ -1,5 +1,6 @@
 add_library(timings
     timer.cpp
+    timerId.cpp
     timingsSection.cpp
     timingsSectionGuard.cpp
     globalTimer.cpp
@@ -15,6 +16,7 @@ target_link_libraries(timings
     PUBLIC
     exceptions
     settings
+    mstd
 )
 
 install(TARGETS timings

src/timings/globalTimer.cpp

@@ -32,7 +32,7 @@ using namespace timings;
  * @brief Construct a new Global Timer:: Global Timer object
  *
  */
-GlobalTimer::GlobalTimer() : _simulationTimer("Simulation")
+GlobalTimer::GlobalTimer() : _simulationTimer(TimerId::Simulation)
 {
     _simulationTimer.startTimingsSection();
 }

src/timings/timer.cpp

@@ -32,9 +32,9 @@ using namespace customException;
 /**
  * @brief Construct a new Timer:: Timer object
  *
- * @param name
+ * @param id
  */
-Timer::Timer(const std::string_view name) : _name(name) {}
+Timer::Timer(const TimerId id) : _id(id) {}
 
 /**
  * @brief get timings details
@@ -79,11 +79,11 @@ double Timer::calculateLoopTime() const
  */
 void Timer::startTimingsSection()
 {
-    const auto index = findTimingsSectionIndex(_name);
+    const auto index = findTimingsSectionIndex(getTimerName());
 
     if (index == _timingDetails.size())
     {
-        _timingDetails.emplace_back(_name);
+        _timingDetails.emplace_back(getTimerName());
         _timingDetails.back().beginTimer();
     }
     else
@@ -113,7 +113,7 @@ void Timer::startTimingsSection(const std::string_view name)
  */
 void Timer::stopTimingsSection()
 {
-    const auto index = findTimingsSectionIndex(_name);
+    const auto index = findTimingsSectionIndex(getTimerName());
 
     if (index == _timingDetails.size())
         throw CustomException("Timer not found");
@@ -166,11 +166,11 @@ void Timer::sortTimingsSections()
  ********************/
 
 /**
- * @brief set timer name
+ * @brief set timer id
  *
- * @param name
+ * @param id
  */
-void Timer::setTimerName(const std::string_view name) { _name = name; }
+void Timer::setTimerId(const TimerId id) { _id = id; }
 
 /********************
  * standard getters *
@@ -195,7 +195,7 @@ TimingsSection Timer::getTimingsSection(const std::string_view name) const
  *
  * @return std::string
  */
-std::string Timer::getTimerName() const { return _name; }
+std::string Timer::getTimerName() const { return toString(_id); }
 
 /**
  * @brief get timer