Changeset a9b2a0a for molecuilder/src/vector.cpp

Timestamp:

Oct 27, 2009, 4:11:22 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

069034

Parents:

55a71b

Message:

Huge refactoring to make const what is const (ticket #38), continued.

• too many changes because of too many cross-references to be able to list them up here.
• NOTE that "make check" runs fine and did catch several error.
• note that we had to use const_iterator several times when the map, ... was declared const.
• at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

• also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/vector.cpp (modified) (43 diffs)

molecuilder/src/vector.cpp

@@ -21 +21 @@
 /** Constructor of class vector.
  */
-Vector::Vector(double x1, double x2, double x3) { x[0] = x1; x[1] = x2; x[2] = x3; };
+Vector::Vector(const double x1, const double x2, const double x3) { x[0] = x1; x[1] = x2; x[2] = x3; };
 
 /** Desctructor of class vector.
@@ -31 +31 @@
  * \return \f$| x - y |^2\f$
  */
-double Vector::DistanceSquared(const Vector *y) const
+double Vector::DistanceSquared(const Vector * const y) const
 {
   double res = 0.;
@@ -43 +43 @@
  * \return \f$| x - y |\f$
  */
-double Vector::Distance(const Vector *y) const
+double Vector::Distance(const Vector * const y) const
 {
   double res = 0.;
@@ -56 +56 @@
  * \return \f$| x - y |\f$
  */
-double Vector::PeriodicDistance(const Vector *y, const double *cell_size) const
+double Vector::PeriodicDistance(const Vector * const y, const double * const cell_size) const
 {
   double res = Distance(y), tmp, matrix[NDIM*NDIM];
@@ -94 +94 @@
  * \return \f$| x - y |^2\f$
  */
-double Vector::PeriodicDistanceSquared(const Vector *y, const double *cell_size) const
+double Vector::PeriodicDistanceSquared(const Vector * const y, const double * const cell_size) const
 {
   double res = DistanceSquared(y), tmp, matrix[NDIM*NDIM];
@@ -131 +131 @@
  * Tries to translate a vector into each adjacent neighbouring cell.
  */
-void Vector::KeepPeriodic(ofstream *out, double *matrix)
+void Vector::KeepPeriodic(ofstream *out, const double * const matrix)
 {
 //  int N[NDIM];
@@ -162 +162 @@
  * \return \f$\langle x, y \rangle\f$
  */
-double Vector::ScalarProduct(const Vector *y) const
+double Vector::ScalarProduct(const Vector * const y) const
 {
   double res = 0.;
@@ -177 +177 @@
  *  \return \f$ x \times y \f&
  */
-void Vector::VectorProduct(const Vector *y)
+void Vector::VectorProduct(const Vector * const y)
 {
   Vector tmp;
@@ -184 +184 @@
   tmp.x[2] = x[0]* (y->x[1]) - x[1]* (y->x[0]);
   this->CopyVector(&tmp);
-
 };
 
@@ -192 +191 @@
  * \return \f$\langle x, y \rangle\f$
  */
-void Vector::ProjectOntoPlane(const Vector *y)
+void Vector::ProjectOntoPlane(const Vector * const y)
 {
   Vector tmp;
@@ -217 +216 @@
  * \return true -  \a this contains intersection point on return, false - line is parallel to plane
  */
-bool Vector::GetIntersectionWithPlane(ofstream *out, Vector *PlaneNormal, Vector *PlaneOffset, Vector *Origin, Vector *LineVector)
+bool Vector::GetIntersectionWithPlane(ofstream *out, const Vector * const PlaneNormal, const Vector * const PlaneOffset, const Vector * const Origin, const Vector * const LineVector)
 {
   double factor;
@@ -264 +263 @@
  * \return distance to plane
  */
-double Vector::DistanceToPlane(ofstream *out, Vector *PlaneNormal, Vector *PlaneOffset)
+double Vector::DistanceToPlane(ofstream *out, const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
 {
   Vector temp;
@@ -292 +291 @@
  * \return true - \a this will contain the intersection on return, false - lines are parallel
  */
-bool Vector::GetIntersectionOfTwoLinesOnPlane(ofstream *out, Vector *Line1a, Vector *Line1b, Vector *Line2a, Vector *Line2b, const Vector *PlaneNormal)
+bool Vector::GetIntersectionOfTwoLinesOnPlane(ofstream *out, const Vector * const Line1a, const Vector * const Line1b, const Vector * const Line2a, const Vector * const Line2b, const Vector *PlaneNormal)
 {
   bool result = true;
@@ -375 +374 @@
  * \param *y array to second vector
  */
-void Vector::ProjectIt(const Vector *y)
+void Vector::ProjectIt(const Vector * const y)
 {
   Vector helper(*y);
@@ -386 +385 @@
  * \return Vector
  */
-Vector Vector::Projection(const Vector *y) const
+Vector Vector::Projection(const Vector * const y) const
 {
   Vector helper(*y);
@@ -435 +434 @@
 /** Zeros all components of this vector.
  */
-void Vector::One(double one)
+void Vector::One(const double one)
 {
   for (int i=NDIM;i--;)
@@ -443 +442 @@
 /** Initialises all components of this vector.
  */
-void Vector::Init(double x1, double x2, double x3)
+void Vector::Init(const double x1, const double x2, const double x3)
 {
   x[0] = x1;
@@ -469 +468 @@
  * @return true - vector is normalized, false - vector is not
  */
-bool Vector::IsNormalTo(const Vector *normal) const
+bool Vector::IsNormalTo(const Vector * const normal) const
 {
   if (ScalarProduct(normal) < MYEPSILON)
@@ -481 +480 @@
  * \return \f$\acos\bigl(frac{\langle x, y \rangle}{|x||y|}\bigr)\f$
  */
-double Vector::Angle(const Vector *y) const
+double Vector::Angle(const Vector * const y) const
 {
   double norm1 = Norm(), norm2 = y->Norm();
@@ -500 +499 @@
  * \param alpha rotation angle in radian
  */
-void Vector::RotateVector(const Vector *axis, const double alpha)
+void Vector::RotateVector(const Vector * const axis, const double alpha)
 {
   Vector a,y;
@@ -656 +655 @@
  * \param *factor pointer to scaling factor
  */
-void Vector::Scale(double **factor)
+void Vector::Scale(const double ** const factor)
 {
   for (int i=NDIM;i--;)
@@ -662 +661 @@
 };
 
-void Vector::Scale(double *factor)
+void Vector::Scale(const double * const factor)
 {
   for (int i=NDIM;i--;)
@@ -668 +667 @@
 };
 
-void Vector::Scale(double factor)
+void Vector::Scale(const double factor)
 {
   for (int i=NDIM;i--;)
@@ -677 +676 @@
  * \param trans[] translation vector.
  */
-void Vector::Translate(const Vector *trans)
+void Vector::Translate(const Vector * const trans)
 {
   for (int i=NDIM;i--;)
@@ -687 +686 @@
  * \param *Minv inverse matrix
  */
-void Vector::WrapPeriodically(const double *M, const double *Minv)
+void Vector::WrapPeriodically(const double * const M, const double * const Minv)
 {
   MatrixMultiplication(Minv);
@@ -704 +703 @@
  * \param *matrix NDIM_NDIM array
  */
-void Vector::MatrixMultiplication(const double *M)
+void Vector::MatrixMultiplication(const double * const M)
 {
   Vector C;
@@ -719 +718 @@
  * \param *matrix NDIM_NDIM array
  */
-double * Vector::InverseMatrix(double *A)
+double * Vector::InverseMatrix( const double * const A)
 {
   double *B = Malloc<double>(NDIM * NDIM, "Vector::InverseMatrix: *B");
@@ -746 +745 @@
  * \param *matrix NDIM_NDIM array
  */
-void Vector::InverseMatrixMultiplication(const double *A)
+void Vector::InverseMatrixMultiplication(const double * const A)
 {
   Vector C;
@@ -786 +785 @@
  * \param *factors three-component vector with the factor for each given vector
  */
-void Vector::LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors)
+void Vector::LinearCombinationOfVectors(const Vector * const x1, const Vector * const x2, const Vector * const x3, const double * const factors)
 {
   for(int i=NDIM;i--;)
@@ -795 +794 @@
  * \param n[] normal vector of mirror plane.
  */
-void Vector::Mirror(const Vector *n)
+void Vector::Mirror(const Vector * const n)
 {
   double projection;
@@ -817 +816 @@
  * \return true - success, vectors are linear independent, false - failure due to linear dependency
  */
-bool Vector::MakeNormalVector(const Vector *y1, const Vector *y2, const Vector *y3)
+bool Vector::MakeNormalVector(const Vector * const y1, const Vector * const y2, const Vector * const y3)
 {
   Vector x1, x2;
@@ -853 +852 @@
  * \return true - success, vectors are linear independent, false - failure due to linear dependency
  */
-bool Vector::MakeNormalVector(const Vector *y1, const Vector *y2)
+bool Vector::MakeNormalVector(const Vector * const y1, const Vector * const y2)
 {
   Vector x1,x2;
@@ -884 +883 @@
  * \return true - success, false - vector is zero
  */
-bool Vector::MakeNormalVector(const Vector *y1)
+bool Vector::MakeNormalVector(const Vector * const y1)
 {
   bool result = false;
@@ -904 +903 @@
  * \return true - success, false - failure (null vector given)
  */
-bool Vector::GetOneNormalVector(const Vector *GivenVector)
+bool Vector::GetOneNormalVector(const Vector * const GivenVector)
 {
   int Components[NDIM]; // contains indices of non-zero components
@@ -950 +949 @@
  * \return scaling parameter for this vector
  */
-double Vector::CutsPlaneAt(Vector *A, Vector *B, Vector *C)
+double Vector::CutsPlaneAt(const Vector * const A, const Vector * const B, const Vector * const C) const
 {
 //  cout << Verbose(3) << "For comparison: ";
@@ -965 +964 @@
  * \return true if success, false if failed due to linear dependency
  */
-bool Vector::LSQdistance(Vector **vectors, int num)
+bool Vector::LSQdistance(const Vector **vectors, int num)
 {
   int j;
@@ -1047 +1046 @@
  * \param *y vector
  */
-void Vector::AddVector(const Vector *y)
+void Vector::AddVector(const Vector * const y)
 {
   for (int i=NDIM;i--;)
@@ -1056 +1055 @@
  * \param *y vector
  */
-void Vector::SubtractVector(const Vector *y)
+void Vector::SubtractVector(const Vector * const y)
 {
   for (int i=NDIM;i--;)
@@ -1065 +1064 @@
  * \param *y vector
  */
-void Vector::CopyVector(const Vector *y)
+void Vector::CopyVector(const Vector * const y)
 {
   for (int i=NDIM;i--;)
@@ -1074 +1073 @@
  * \param y vector
  */
-void Vector::CopyVector(const Vector y)
+void Vector::CopyVector(const Vector &y)
 {
   for (int i=NDIM;i--;)
@@ -1085 +1084 @@
  * \param check whether bounds shall be checked (true) or not (false)
  */
-void Vector::AskPosition(double *cell_size, bool check)
+void Vector::AskPosition(const double * const cell_size, const bool check)
 {
   char coords[3] = {'x','y','z'};
@@ -1113 +1112 @@
  * \bug this is not yet working properly
  */
-bool Vector::SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c)
+bool Vector::SolveSystem(Vector * x1, Vector * x2, Vector * y, const double alpha, const double beta, const double c)
 {
   double D1,D2,D3,E1,E2,F1,F2,F3,p,q=0., A, B1, B2, C;
@@ -1276 +1275 @@
  * @param three vectors forming the matrix that defines the shape of the parallelpiped
  */
-bool Vector::IsInParallelepiped(const Vector offset, const double *parallelepiped) const
+bool Vector::IsInParallelepiped(const Vector &offset, const double * const parallelepiped) const
 {
   Vector a;