Changes in src/Shapes/BaseShapes.cpp [57f243:bcf653]

File:

• src/Shapes/BaseShapes.cpp (modified) (4 diffs)

src/Shapes/BaseShapes.cpp

@@ +1 @@
+/*
+ * Project: MoleCuilder
+ * Description: creates and alters molecular systems
+ * Copyright (C)  2010 University of Bonn. All rights reserved.
+ * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
+ */
+
 /*
  * BaseShapes_impl.cpp
@@ -6 +13 @@
  */
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#include "Helpers/MemDebug.hpp"
+
 #include "Shapes/BaseShapes.hpp"
 #include "Shapes/BaseShapes_impl.hpp"
 
+#include <cmath>
+
+#include "Helpers/Assert.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -14 +31 @@
   return point.NormSquared()<=1;
 }
+
+
+/**
+ * algorithm taken from http://www.cgafaq.info/wiki/Evenly_distributed_points_on_sphere
+ * \param N number of points on surface
+ */
+std::vector<Vector> Sphere_impl::getHomogeneousPointsOnSurface(const int N) const {
+  std::vector<Vector> PointsOnSurface;
+
+  const double dlength = M_PI*(3.-sqrt(5.));
+  double length = 0;
+  const double dz = 2.0/N;
+  double z = 1. - dz/2.;
+  Vector point;
+  for (int ka = 0; ka<N; ka++){
+    const double r = sqrt(1.-z*z);
+    point.Zero();
+    point[0] = cos(length)*r;
+    point[1] = sin(length)*r;
+    point[2] = z;
+    PointsOnSurface.push_back(point);
+    z = z - dz;
+    length = length + dlength;
+  }
+
+  ASSERT(PointsOnSurface.size() == N, "Sphere_impl::getHomogeneousPointsOnSurface() did not create enough points.");
+  return PointsOnSurface;
+}
+
 
 Shape Sphere(){
@@ -21 +67 @@
 
 bool Cuboid_impl::isInside(const Vector &point){
-  return point[0]<=1 && point[1]<=1 && point[2]<=1;
+  return (point[0]>=0 && point[0]<=1) && (point[1]>=0 && point[1]<=1) && (point[2]>=0 && point[2]<=1);
+}
+
+/**
+ * \param N number of points on surface
+ */
+std::vector<Vector> Cuboid_impl::getHomogeneousPointsOnSurface(const int N) const {
+  std::vector<Vector> PointsOnSurface;
+  ASSERT(false, "Cuboid_impl::getHomogeneousPointsOnSurface() not implemented yet");
+  return PointsOnSurface;
 }
 
 Shape Cuboid(){
-  Shape::impl_ptr impl = Shape::impl_ptr(new Sphere_impl());
+  Shape::impl_ptr impl = Shape::impl_ptr(new Cuboid_impl());
   return Shape(impl);
 }