Changeset 3746440

Timestamp:

Oct 5, 2009, 10:09:51 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

f92d00

Parents:

dcbdf2

Message:

new function Vector::WrapPeriodically() and Vector::(Inverse)MatrixMultiplication has const parameters now.

Location:

molecuilder/src

Files:

• vector.cpp (modified) (2 diffs)
• vector.hpp (modified) (2 diffs)

molecuilder/src/vector.cpp

@@ -661 +661 @@
 };
 
+/** Given a box by its matrix \a *M and its inverse *Minv the vector is made to point within that box.
+ * \param *M matrix of box
+ * \param *Minv inverse matrix
+ */
+void Vector::WrapPeriodically(const double *M, const double *Minv)
+{
+  MatrixMultiplication(Minv);
+  // truncate to [0,1] for each axis
+  for (int i=0;i<NDIM;i++) {
+    x[i] += 0.5;  // set to center of box
+    while (x[i] >= 1.)
+      x[i] -= 1.;
+    while (x[i] < 0.)
+      x[i] += 1.;
+  }
+  MatrixMultiplication(M);
+};
+
 /** Do a matrix multiplication.
  * \param *matrix NDIM_NDIM array
  */
-void Vector::MatrixMultiplication(double *M)
+void Vector::MatrixMultiplication(const double *M)
 {
   Vector C;
@@ -706 +724 @@
  * \param *matrix NDIM_NDIM array
  */
-void Vector::InverseMatrixMultiplication(double *A)
+void Vector::InverseMatrixMultiplication(const double *A)
 {
   Vector C;

molecuilder/src/vector.hpp

@@ -52 +52 @@
   void Scale(double *factor);
   void Scale(double factor);
-  void MatrixMultiplication(double *M);
+  void MatrixMultiplication(const double *M);
   double * InverseMatrix(double *A);
-  void InverseMatrixMultiplication(double *M);
+  void InverseMatrixMultiplication(const double *M);
   void KeepPeriodic(ofstream *out, double *matrix);
   void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
@@ -69 +69 @@
   bool Output(ofstream *out) const;
   bool IsInParallelepiped(Vector offset, double *parallelepiped);
+  void WrapPeriodically(const double *M, const double *Minv);
 };