11 #ifndef __RD_BOUNDS_MATRIX_H__ 12 #define __RD_BOUNDS_MATRIX_H__ 15 #include <boost/smart_ptr.hpp> 32 :
RDNumeric::SquareMatrix<double>(N, 0.0){};
34 :
RDNumeric::SquareMatrix<double>(N, data){};
64 if ((val < getUpperBound(i, j)) && (val > getLowerBound(i, j))) {
65 setUpperBound(i, j, val);
85 if ((val > getLowerBound(i, j)) && (val < getUpperBound(i, j))) {
86 setLowerBound(i, j, val);
106 for (i = 1; i < d_nRows; i++) {
107 for (j = 0; j < i; j++) {
108 if (getUpperBound(i, j) < getLowerBound(i, j)) {
void setLowerBoundIfBetter(unsigned int i, unsigned int j, double val)
#define RDKIT_DISTGEOMETRY_EXPORT
#define CHECK_INVARIANT(expr, mess)
boost::shared_ptr< BoundsMatrix > BoundsMatPtr
void setUpperBound(unsigned int i, unsigned int j, double val)
Set the lower bound between points i and j.
void setUpperBoundIfBetter(unsigned int i, unsigned int j, double val)
BoundsMatrix(unsigned int N)
double getUpperBound(unsigned int i, unsigned int j) const
Get the upper bound between points i and j.
#define URANGE_CHECK(x, hi)
void setLowerBound(unsigned int i, unsigned int j, double val)
Set the lower bound between points i and j.
Class to store the distance bound.
boost::shared_array< double > DATA_SPTR
double getLowerBound(unsigned int i, unsigned int j) const
Get the lower bound between points i and j.
BoundsMatrix(unsigned int N, DATA_SPTR data)