psProcess changes (#52)

* Changed function to enable flux smoothing and added missing psProcess functions in pybindings * Fix spellcheck typos
ViennaTools · Nov 30, 2023 · ec4e4a8 · ec4e4a8
1 parent f9ac913
commit ec4e4a8
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diff --git a/Python/pyWrap.cpp b/Python/pyWrap.cpp
@@ -409,40 +409,53 @@ PYBIND11_MODULE(VIENNAPS_MODULE_NAME, module) {
       });
 
   // psProcess
-  pybind11::class_<psProcess<T, D>, psSmartPointer<psProcess<T, D>>>(module,
-                                                                     "Process")
+  pybind11::class_<psProcess<T, D>>(module, "Process")
       // constructors
-      .def(pybind11::init(&psSmartPointer<psProcess<T, D>>::New<>))
-
+      .def(pybind11::init())
+      .def(pybind11::init<DomainType>(), pybind11::arg("domain"))
+      .def(
+          pybind11::init<DomainType, psSmartPointer<psProcessModel<T, D>>, T>(),
+          pybind11::arg("domain"), pybind11::arg("model"),
+          pybind11::arg("duration"))
       // methods
+      .def("apply", &psProcess<T, D>::apply, "Run the process.")
       .def("setDomain", &psProcess<T, D>::setDomain, "Set the process domain.")
+      .def("setProcessModel",
+           &psProcess<T, D>::setProcessModel<psProcessModel<T, D>>,
+           "Set the process model. This has to be a pre-configured process "
+           "model.")
       .def("setProcessDuration", &psProcess<T, D>::setProcessDuration,
            "Set the process duration.")
       .def("setSourceDirection", &psProcess<T, D>::setSourceDirection,
            "Set source direction of the process.")
       .def("setNumberOfRaysPerPoint", &psProcess<T, D>::setNumberOfRaysPerPoint,
            "Set the number of rays to traced for each particle in the process. "
-           "The number is per point in the process geometry")
+           "The number is per point in the process geometry.")
       .def("setMaxCoverageInitIterations",
            &psProcess<T, D>::setMaxCoverageInitIterations,
            "Set the number of iterations to initialize the coverages.")
       .def("setPrintTimeInterval", &psProcess<T, D>::setPrintTimeInterval,
            "Sets the minimum time between printing intermediate results during "
            "the process. If this is set to a non-positive value, no "
            "intermediate results are printed.")
-      .def("setProcessModel",
-           &psProcess<T, D>::setProcessModel<psProcessModel<T, D>>,
-           "Set the process model.")
-      .def("apply", &psProcess<T, D>::apply, "Run the process.")
       .def("setIntegrationScheme", &psProcess<T, D>::setIntegrationScheme,
            "Set the integration scheme for solving the level-set equation. "
-           "Should be used out of the ones specified in "
+           "Possible integration schemes are specified in "
            "lsIntegrationSchemeEnum.")
       .def("setTimeStepRatio", &psProcess<T, D>::setTimeStepRatio,
            "Set the CFL condition to use during advection. The CFL condition "
            "sets the maximum distance a surface can be moved during one "
            "advection step. It MUST be below 0.5 to guarantee numerical "
-           "stability. Defaults to 0.4999.");
+           "stability. Defaults to 0.4999.")
+      .def("enableFluxSmoothing", &psProcess<T, D>::enableFluxSmoothing,
+           "Enable flux smoothing. The flux at each surface point, calculated "
+           "by the ray tracer, is averaged over the surface point neighbors.")
+      .def("disableFluxSmoothing", &psProcess<T, D>::disableFluxSmoothing,
+           "Disable flux smoothing")
+      .def("getProcessDuration", &psProcess<T, D>::getProcessDuration,
+           "Returns the duration of the recently run process. This duration "
+           "can sometimes slightly vary from the set process duration, due to "
+           "the maximum time step according to the CFL condition.");
 
   // psAdvectionCallback
   pybind11::class_<psAdvectionCallback<T, D>,

diff --git a/README.md b/README.md
@@ -123,7 +123,7 @@ Below the results after 1, 2, and 3 seconds of etching are shown.
   <img src="https://raw.githubusercontent.com/ViennaTools/ViennaPS/master/data/images/hole_etching.svg" width=700 style="background-color:white;">
 </div>
 
-By changing the dimension of the hole etching example (_D = 2_), we can easily simulate the profile of a trench etching process with the same plasma chemistry. Here we can, for example, vary the mask tapering angle to observe increased microtrenching, as shown below.
+By changing the dimension of the hole etching example (_D = 2_), we can easily simulate the profile of a trench etching process with the same plasma chemistry. Here we can, for example, vary the mask tapering angle to observe increased micro-trenching, as shown below.
 <div align="center">
   <img src="https://raw.githubusercontent.com/ViennaTools/ViennaPS/master/data/images/sidewall_tapering.svg" width=700 style="background-color:white;">
 </div>
@@ -157,7 +157,7 @@ If you want to contribute to ViennaPS, make sure to follow the [LLVM Coding guid
 
 ## Authors
 
-Current contributors: Tobias Reiter, Julius Piso, Josip Bobinac, Xaver Klemenschits
+Current contributors: Tobias Reiter, Julius Piso
 
 Contact us via: [email protected]
 

diff --git a/app/Application.hpp b/app/Application.hpp
@@ -118,7 +118,8 @@ template <int D> class Application {
     psProcess<NumericType, D> process;
     process.setDomain(processGeometry);
     process.setProcessModel(model);
-    process.setSmoothFlux(processParams->smoothFlux);
+    if (processParams->smoothFlux)
+      process.enableFluxSmoothing();
     process.setNumberOfRaysPerPoint(processParams->raysPerPoint);
     process.setProcessDuration(processParams->processTime);
     process.setIntegrationScheme(params->integrationScheme);
@@ -139,7 +140,8 @@ template <int D> class Application {
     psProcess<NumericType, D> process;
     process.setDomain(processGeometry);
     process.setProcessModel(model);
-    process.setSmoothFlux(processParams->smoothFlux);
+    if (processParams->smoothFlux)
+      process.enableFluxSmoothing();
     process.setNumberOfRaysPerPoint(processParams->raysPerPoint);
     process.setProcessDuration(processParams->processTime);
     process.setIntegrationScheme(params->integrationScheme);
@@ -159,7 +161,8 @@ template <int D> class Application {
     process.setDomain(processGeometry);
     process.setProcessModel(model);
     process.setMaxCoverageInitIterations(10);
-    process.setSmoothFlux(processParams->smoothFlux);
+    if (processParams->smoothFlux)
+      process.enableFluxSmoothing();
     process.setNumberOfRaysPerPoint(processParams->raysPerPoint);
     process.setProcessDuration(processParams->processTime);
     process.setIntegrationScheme(params->integrationScheme);
@@ -179,7 +182,8 @@ template <int D> class Application {
     process.setDomain(processGeometry);
     process.setProcessModel(model);
     process.setMaxCoverageInitIterations(10);
-    process.setSmoothFlux(processParams->smoothFlux);
+    if (processParams->smoothFlux)
+      process.enableFluxSmoothing();
     process.setNumberOfRaysPerPoint(processParams->raysPerPoint);
     process.setProcessDuration(processParams->processTime);
     process.setIntegrationScheme(params->integrationScheme);

diff --git a/app/ApplicationParameters.hpp b/app/ApplicationParameters.hpp
@@ -74,7 +74,7 @@ struct ApplicationParameters {
   NumericType processTime = 1;
   int raysPerPoint = 3000;
   NumericType etchStopDepth = std::numeric_limits<NumericType>::lowest();
-  NumericType smoothFlux = 1.;
+  int smoothFlux = 1.;
   // Plasma etching
   // fluxes in in (1e15 atoms/cm³)
   NumericType etchantFlux = 1.8e3;

diff --git a/include/psProcess.hpp b/include/psProcess.hpp
@@ -37,42 +37,60 @@ template <typename NumericType, int D> class psProcess {
         passedProcessModel);
   }
 
+  // Set the process model. This can be either a pre-configured process model or
+  // a custom process model. A custom process model must interface the
+  // psProcessModel class.
   template <typename ProcessModelType>
   void setProcessModel(psSmartPointer<ProcessModelType> passedProcessModel) {
     model = std::dynamic_pointer_cast<psProcessModel<NumericType, D>>(
         passedProcessModel);
   }
 
+  // Set the process domain.
   void setDomain(psSmartPointer<psDomain<NumericType, D>> passedDomain) {
     domain = passedDomain;
   }
 
-  /// Set the source direction, where the rays should be traced from.
+  // Set the source direction, where the rays should be traced from.
   void setSourceDirection(const rayTraceDirection passedDirection) {
     sourceDirection = passedDirection;
   }
 
+  // Set the duration of the process.
   void setProcessDuration(NumericType passedDuration) {
     processDuration = passedDuration;
   }
 
+  // Returns the duration of the recently run process. This duration can
+  // sometimes slightly vary from the set process duration, due to the maximum
+  // time step according to the CFL condition.
   NumericType getProcessDuration() const { return processTime; }
 
+  // Set the number of rays to traced for each particle in the process.
+  // The number is per point in the process geometry.
   void setNumberOfRaysPerPoint(long numRays) { raysPerPoint = numRays; }
 
+  // Set the number of iterations to initialize the coverages.
   void setMaxCoverageInitIterations(size_t maxIt) { maxIterations = maxIt; }
 
-  void setSmoothFlux(bool pSmoothFlux) { smoothFlux = pSmoothFlux; }
+  /// Enable flux smoothing. The flux at each surface point, calculated
+  /// by the ray tracer, is averaged over the surface point neighbors.
+  void enableFluxSmoothing() { smoothFlux = true; }
 
+  // Disable flux smoothing.
+  void disableFluxSmoothing() { smoothFlux = false; }
+
+  // Set the integration scheme for solving the level-set equation.
+  // Possible integration schemes are specified in lsIntegrationSchemeEnum.
   void
   setIntegrationScheme(const lsIntegrationSchemeEnum passedIntegrationScheme) {
     integrationScheme = passedIntegrationScheme;
   }
 
-  /// Set the CFL condition to use during advection.
-  /// The CFL condition sets the maximum distance a surface can
-  /// be moved during one advection step. It MUST be below 0.5
-  /// to guarantee numerical stability. Defaults to 0.4999.
+  // Set the CFL condition to use during advection.
+  // The CFL condition sets the maximum distance a surface can
+  // be moved during one advection step. It MUST be below 0.5
+  // to guarantee numerical stability. Defaults to 0.4999.
   void setTimeStepRatio(const double &cfl) { timeStepRatio = cfl; }
 
   // Sets the minimum time between printing intermediate results during the
@@ -82,6 +100,7 @@ template <typename NumericType, int D> class psProcess {
     printTime = passedTime;
   }
 
+  // Run the process.
   void apply() {
     /* ---------- Process Setup --------- */
     if (!model) {