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Argonne-National-Laboratory · Mar 2, 2023 · 298dcf3 · 298dcf3
1 parent c67364a
commit 298dcf3
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Showing 2 changed files with 46 additions and 27 deletions.
diff --git a/include/auxkernels/IPFColoring.h b/include/auxkernels/IPFColoring.h
@@ -4,25 +4,25 @@
 
 class IPFColoring : public AuxKernel
 {
- public:
-   static InputParameters validParams();
+public:
+  static InputParameters validParams();
 
-   IPFColoring(const InputParameters & parameters);
+  IPFColoring(const InputParameters & parameters);
 
- protected:
+protected:
   virtual Real computeValue();
-  
-  /// quaternion 
+
+  /// quaternion
   /// @{
   const VariableValue & _q1;
   const VariableValue & _q2;
   const VariableValue & _q3;
   const VariableValue & _q4;
   /// @}
-  
+
   /// Sample direction
   const Point _sample_direction;
-  
+
   /// Crystal symmetry code
   const std::string _crystal_symmetry;
 

diff --git a/src/auxkernels/IPFColoring.C b/src/auxkernels/IPFColoring.C
@@ -23,9 +23,9 @@ IPFColoring::validParams()
 
   params.addParam<std::string>("sample_symmetry", "222", "Sample symmetry Orbifold code");
 
-  params.addParam<Point>("v1", Point(0,0,1), "First point of triangle");
-  params.addParam<Point>("v2", Point(1,0,1), "Second point of triangle");
-  params.addParam<Point>("v3", Point(1,1,1), "Third point of triangle");
+  params.addParam<Point>("v1", Point(0, 0, 1), "First point of triangle");
+  params.addParam<Point>("v2", Point(1, 0, 1), "Second point of triangle");
+  params.addParam<Point>("v3", Point(1, 1, 1), "Third point of triangle");
 
   return params;
 }
@@ -38,36 +38,50 @@ IPFColoring::IPFColoring(const InputParameters & parameters)
     _q4(coupledValue("q4")),
     _sample_direction(getParam<Point>("sample_direction")),
     _crystal_symmetry(getParam<std::string>("crystal_symmetry")),
-    _comp(getParam<unsigned int>("component")),    
+    _comp(getParam<unsigned int>("component")),
     _sample_symmetry(getParam<std::string>("sample_symmetry")),
     _v1(getParam<Point>("v1")),
     _v2(getParam<Point>("v2")),
     _v3(getParam<Point>("v3"))
 {
-
-
 }
 
 Real
 IPFColoring::computeValue()
 {
-  Point rgb = rgb_ipf_quaternion(_q1[0], _q2[0], _q3[0], _q4[0], _sample_direction,
-                                 _crystal_symmetry, _sample_symmetry, _v1, _v2, _v3);
+  Point rgb = rgb_ipf_quaternion(_q1[0],
+                                 _q2[0],
+                                 _q3[0],
+                                 _q4[0],
+                                 _sample_direction,
+                                 _crystal_symmetry,
+                                 _sample_symmetry,
+                                 _v1,
+                                 _v2,
+                                 _v3);
 
   return rgb(_comp);
 }
 
 Point
-rgb_ipf_quaternion(Real q1, Real q2, Real q3, Real q4, Point sd, std::string crystal_sym,
-                   std::string sample_sym, Point v1, Point v2, Point v3)
+rgb_ipf_quaternion(Real q1,
+                   Real q2,
+                   Real q3,
+                   Real q4,
+                   Point sd,
+                   std::string crystal_sym,
+                   std::string sample_sym,
+                   Point v1,
+                   Point v2,
+                   Point v3)
 {
   auto pts = project_ipf({q1, q2, q3, q4}, sd, crystal_sym, sample_sym);
   auto fpts = filter_ipf_points_triangle(pts, v1, v2, v3);
 
   // This really shouldn't fail at least for nice crystals...
   if (fpts.size() == 0)
     mooseError("Failed to project an inverse pole figure point");
-  
+
   Point pt = fpts[0];
 
   // Actually do the color projection
@@ -82,15 +96,17 @@ rgb_ipf_quaternion(Real q1, Real q2, Real q3, Real q4, Point sd, std::string cry
   for (size_t i = 0; i < 3; i++)
     color(i) = vs[i].contract(pt);
 
-  for (size_t i = 0; i < 3; i++) {
+  for (size_t i = 0; i < 3; i++)
+  {
     Real mf = 1.0;
-    for (size_t j = 0; j < 3; j++) {
+    for (size_t j = 0; j < 3; j++)
+    {
       Real t = vs[i].contract(vs[j]);
       if (t < mf)
         mf = t;
     }
     color(i) -= mf;
-    color(i) /= (1-mf);
+    color(i) /= (1 - mf);
   }
 
   return color;
@@ -102,7 +118,7 @@ project_ipf(std::vector<Real> q, Point sd, std::string crystal_sym, std::string
   // Setup sample direction
   neml::Vector d({sd(0), sd(1), sd(2)});
   d.normalize();
-  
+
   // Setup orientation
   neml::Orientation qa(q);
   neml::Orientation qo = qa.inverse(); // The following assumes a passive rotation
@@ -113,9 +129,11 @@ project_ipf(std::vector<Real> q, Point sd, std::string crystal_sym, std::string
 
   std::vector<Point> results;
 
-  for (auto srot : sample_ops) {
+  for (auto srot : sample_ops)
+  {
     auto cpt = qo.apply(srot.apply(d));
-    for (auto crot : crystal_ops) {
+    for (auto crot : crystal_ops)
+    {
       auto fpt = crot.apply(cpt);
       if (fpt(2) > 0)
         results.push_back(Point(fpt(0), fpt(1), fpt(2)));
@@ -132,15 +150,16 @@ filter_ipf_points_triangle(std::vector<Point> pts, Point v1, Point v2, Point v3)
   v1 /= v1.norm();
   v2 /= v2.norm();
   v3 /= v3.norm();
-  
+
   // Get the adjoints
   auto n1 = v1.cross(v2);
   auto n2 = v2.cross(v3);
   auto n3 = v3.cross(v1);
 
   // Filter
   std::vector<Point> res;
-  for (auto pt : pts) {
+  for (auto pt : pts)
+  {
     if ((pt.contract(n1) >= 0) && (pt.contract(n2) >= 0) && (pt.contract(n3) >= 0))
       res.push_back(pt);
   }