Changes in src/boundary.cpp [112b09:c94eeb]

File:

• src/boundary.cpp (modified) (5 diffs)

src/boundary.cpp

@@ -22 +22 @@
 #include "World.hpp"
 #include "Plane.hpp"
+#include "Matrix.hpp"
 
 #include<gsl/gsl_poly.h>
@@ -764 +765 @@
   int N[NDIM];
   int n[NDIM];
-  double *M =  ReturnFullMatrixforSymmetric(World::getInstance().getDomain());
-  double Rotations[NDIM*NDIM];
-  double *MInverse = InverseMatrix(M);
+  double *M_double =  ReturnFullMatrixforSymmetric(World::getInstance().getDomain());
+  Matrix M = Matrix(M_double);
+  delete[](M_double);
+  Matrix Rotations;
+  Matrix MInverse = M.invert();
   Vector AtomTranslations;
   Vector FillerTranslations;
@@ -800 +803 @@
   // calculate filler grid in [0,1]^3
   FillerDistance = Vector(distance[0], distance[1], distance[2]);
-  FillerDistance.InverseMatrixMultiplication(M);
+  FillerDistance.MatrixMultiplication(MInverse);
   for(int i=0;i<NDIM;i++)
     N[i] = (int) ceil(1./FillerDistance[i]);
@@ -835 +838 @@
             }
 
-            Rotations[0] =   cos(phi[0])            *cos(phi[2]) + (sin(phi[0])*sin(phi[1])*sin(phi[2]));
-            Rotations[3] =   sin(phi[0])            *cos(phi[2]) - (cos(phi[0])*sin(phi[1])*sin(phi[2]));
-            Rotations[6] =               cos(phi[1])*sin(phi[2])                                     ;
-            Rotations[1] = - sin(phi[0])*cos(phi[1])                                                ;
-            Rotations[4] =   cos(phi[0])*cos(phi[1])                                                ;
-            Rotations[7] =               sin(phi[1])                                                ;
-            Rotations[3] = - cos(phi[0])            *sin(phi[2]) + (sin(phi[0])*sin(phi[1])*cos(phi[2]));
-            Rotations[5] = - sin(phi[0])            *sin(phi[2]) - (cos(phi[0])*sin(phi[1])*cos(phi[2]));
-            Rotations[8] =               cos(phi[1])*cos(phi[2])                                     ;
+            Rotations.at(0,0) =   cos(phi[0])            *cos(phi[2]) + (sin(phi[0])*sin(phi[1])*sin(phi[2]));
+            Rotations.at(0,1) =   sin(phi[0])            *cos(phi[2]) - (cos(phi[0])*sin(phi[1])*sin(phi[2]));
+            Rotations.at(0,2) =               cos(phi[1])*sin(phi[2])                                     ;
+            Rotations.at(1,0) = - sin(phi[0])*cos(phi[1])                                                ;
+            Rotations.at(1,1) =   cos(phi[0])*cos(phi[1])                                                ;
+            Rotations.at(1,2) =               sin(phi[1])                                                ;
+            Rotations.at(2,0) = - cos(phi[0])            *sin(phi[2]) + (sin(phi[0])*sin(phi[1])*cos(phi[2]));
+            Rotations.at(2,1) = - sin(phi[0])            *sin(phi[2]) - (cos(phi[0])*sin(phi[1])*cos(phi[2]));
+            Rotations.at(2,2) =               cos(phi[1])*cos(phi[2])                                     ;
           }
 
@@ -892 +895 @@
             }
       }
-  delete[](M);
-  delete[](MInverse);
 
   return Filling;