Ui-QT: Re-enabled Hopfion configuration and added new normal option.

spirit-code · Dec 8, 2021 · fc7735f · fc7735f
1 parent facb560
commit fc7735f
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Showing 5 changed files with 410 additions and 349 deletions.
diff --git a/core/include/Spirit/Simulation.h b/core/include/Spirit/Simulation.h
@@ -53,6 +53,7 @@ Note that the VP and LBFGS Solvers are only meant for direct minimization and no
 // `Solver_VP_OSO`: Verlet-like velocity projection, exponential transform
 #define Solver_VP_OSO 7
 
+// A struct that can be passed as an additional argument to the `Simulation_XXX_Start` methods to gather some basic information about the simulation run
 struct Simulation_Run_Info
 {
     int total_iterations = 0;

diff --git a/core/python/spirit/simulation.py b/core/python/spirit/simulation.py
@@ -88,6 +88,7 @@
 """
 
 class simulation_run_info(ctypes.Structure):
+    """Contains basic information about a simulation run."""
     _fields_ = [
                     ("total_iterations", ctypes.c_int),
                     ("total_walltime", ctypes.c_int),
@@ -132,6 +133,8 @@ def start(p_state, method_type, solver_type=None, n_iterations=-1, n_iterations_
     - `n_iterations_log`: the number of iterations after which to log the status and write output (default: take from parameters)
     - `single_shot`: if set to `True`, iterations have to be triggered individually
     - `idx_image`: the image on which to run the calculation (default: active image). Not used for GNEB
+
+    returns a `simulation_run_info` object.
     """
 
     info = simulation_run_info()

diff --git a/core/test/test_api.cpp b/core/test/test_api.cpp
@@ -68,64 +68,55 @@ TEST_CASE( "State", "[state]" )
 
 TEST_CASE( "Configurations", "[configurations]" )
 {
-    auto state = std::shared_ptr<State>( State_Setup( inputfile ), State_Delete );
-
-    // filters
-    float position[3]{ 0, 0, 0 };
-    float r_cut_rectangular[3]{ -1, -1, -1 };
-    float r_cut_cylindrical = -1;
-    float r_cut_spherical   = -1;
-    bool inverted           = false;
-
-    SECTION( "Domain" )
-    {
-        float dir[3] = { 0, 0, 1 };
-        Configuration_PlusZ( state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-        Configuration_MinusZ( state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-        Configuration_Domain(
-            state.get(), dir, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-    }
-    SECTION( "Random" )
-    {
-        float temperature = 5;
-        Configuration_Add_Noise_Temperature(
-            state.get(), temperature, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-        Configuration_Random( state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-    }
-    SECTION( "Skyrmion" )
-    {
-        float r     = 5;
-        int order   = 1;
-        float phase = 0;
-        bool updown = false, achiral = false, rl = false;
-        Configuration_Skyrmion(
-            state.get(), r, order, phase, updown, achiral, rl, position, r_cut_rectangular, r_cut_cylindrical,
-            r_cut_spherical, inverted );
-
-        r     = 7;
-        order = 1;
-        phase = -90, updown = false;
-        achiral = true;
-        rl      = false;
-        Configuration_Skyrmion(
-            state.get(), r, order, phase, updown, achiral, rl, position, r_cut_rectangular, r_cut_cylindrical,
-            r_cut_spherical, inverted );
-    }
-    SECTION( "Hopfion" )
-    {
-        float r   = 5;
-        int order = 1;
-        Configuration_Hopfion(
-            state.get(), r, order, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted );
-    }
-    SECTION( "Spin Spiral" )
-    {
-        auto dir_type = "real lattice";
-        float q[3]{ 0, 0, 0.1 }, axis[3]{ 0, 0, 1 }, theta{ 30 };
-        CHECK_NOTHROW( Configuration_SpinSpiral(
-                           state.get(), dir_type, q, axis, theta, position, r_cut_rectangular, r_cut_cylindrical,
-                           r_cut_spherical, inverted ); );
-    }
+	auto state = std::shared_ptr<State>(State_Setup(inputfile), State_Delete);
+
+	// filters
+	float position[3]{0,0,0};
+	float r_cut_rectangular[3]{-1,-1,-1};
+	float r_cut_cylindrical = -1;
+	float r_cut_spherical = -1;
+	bool inverted = false;
+
+	SECTION("Domain")
+	{
+		float dir[3] = { 0,0,1 };
+		Configuration_PlusZ(state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+		Configuration_MinusZ(state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+		Configuration_Domain(state.get(), dir, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+	}
+	SECTION("Random")
+	{
+		float temperature = 5;
+		Configuration_Add_Noise_Temperature(state.get(), temperature, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+		Configuration_Random(state.get(), position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+	}
+	SECTION("Skyrmion")
+	{
+		float r=5;
+		int order=1;
+		float phase=0;
+		bool updown=false, achiral=false, rl=false;
+		Configuration_Skyrmion(state.get(), r, order, phase, updown, achiral, rl, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+
+		r=7;
+		order=1;
+		phase=-90,
+		updown=false; achiral=true; rl=false;
+		Configuration_Skyrmion(state.get(), r, order, phase, updown, achiral, rl, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted);
+	}
+	SECTION("Hopfion")
+	{
+		float r=5;
+		int order=1;
+		float normal[3] = {0,0,1};
+		Configuration_Hopfion(state.get(), r, order, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted, normal);
+	}
+	SECTION("Spin Spiral")
+	{
+		auto dir_type = "real lattice";
+		float q[3]{0,0,0.1}, axis[3]{0,0,1}, theta{30};
+		CHECK_NOTHROW( Configuration_SpinSpiral(state.get(), dir_type, q, axis, theta, position, r_cut_rectangular, r_cut_cylindrical, r_cut_spherical, inverted); );
+	}
 }
 
 TEST_CASE( "Quantities", "[quantities]" )

diff --git a/ui-cpp/ui-qt/src/ConfigurationsWidget.cpp b/ui-cpp/ui-qt/src/ConfigurationsWidget.cpp
@@ -31,7 +31,7 @@ ConfigurationsWidget::ConfigurationsWidget( std::shared_ptr<State> state, SpinWi
     // Setup User Interface
     this->setupUi( this );
     this->groupBox_globule->setVisible( false );
-    this->groupBox_hopfion->setVisible( false );
+    this->groupBox_hopfion->setVisible( true );
 
     // We use a regular expression (regex) to filter the input into the lineEdits
     QRegularExpression re( "[+|-]?[\\d]*[\\.]?[\\d]*" );
@@ -172,8 +172,14 @@ void ConfigurationsWidget::create_Hopfion()
     // Create configuration
     float r   = lineEdit_hopfion_radius->text().toFloat();
     int order = lineEdit_hopfion_order->text().toInt();
+
+    float normal[3];
+    normal[0] = lineEdit_hopfion_normal_x->text().toFloat();
+    normal[1] = lineEdit_hopfion_normal_y->text().toFloat();
+    normal[2] = lineEdit_hopfion_normal_z->text().toFloat();
+
     Configuration_Hopfion(
-        this->state.get(), r, order, pos.data(), border_rect.data(), border_cyl, border_sph, inverted );
+        this->state.get(), r, order, pos.data(), border_rect.data(), border_cyl, border_sph, inverted, normal );
 
     // Optionally add noise
     this->configurationAddNoise();