Collective Variables Module - Developer Documentation
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colvarmodule::rmatrix Class Reference

2-dimensional array of real numbers with three components along each dimension (works with colvarmodule::rvector) More...

#include <colvartypes.h>

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Public Member Functions

cvm::realxx ()
 Return the xx element.
 
cvm::realxy ()
 Return the xy element.
 
cvm::realxz ()
 Return the xz element.
 
cvm::realyx ()
 Return the yx element.
 
cvm::realyy ()
 Return the yy element.
 
cvm::realyz ()
 Return the yz element.
 
cvm::realzx ()
 Return the zx element.
 
cvm::realzy ()
 Return the zy element.
 
cvm::realzz ()
 Return the zz element.
 
cvm::real xx () const
 Return the xx element.
 
cvm::real xy () const
 Return the xy element.
 
cvm::real xz () const
 Return the xz element.
 
cvm::real yx () const
 Return the yx element.
 
cvm::real yy () const
 Return the yy element.
 
cvm::real yz () const
 Return the yz element.
 
cvm::real zx () const
 Return the zx element.
 
cvm::real zy () const
 Return the zy element.
 
cvm::real zz () const
 Return the zz element.
 
 rmatrix ()
 Default constructor.
 
 rmatrix (cvm::real const &xxi, cvm::real const &xyi, cvm::real const &xzi, cvm::real const &yxi, cvm::real const &yyi, cvm::real const &yzi, cvm::real const &zxi, cvm::real const &zyi, cvm::real const &zzi)
 Constructor component by component.
 
 ~rmatrix ()
 Destructor.
 
cvm::real determinant () const
 Return the determinant.
 
cvm::rmatrix transpose () const
 
- Public Member Functions inherited from colvarmodule::matrix2d< colvarmodule::real >
void resize (size_t const ol, size_t const il)
 Allocation routine, used by all constructors.
 
void clear ()
 Deallocation routine.
 
void reset ()
 Set all elements to zero.
 
size_t size () const
 
 matrix2d ()
 Default constructor.
 
 matrix2d (size_t const ol, size_t const il)
 
 matrix2d (matrix2d< colvarmodule::real > const &m)
 Copy constructor.
 
 ~matrix2d ()
 Destructor.
 
std::vector< colvarmodule::real > & data_array ()
 Return a reference to the data.
 
row & operator[] (size_t const i)
 
row const & operator[] (size_t const i) const
 
matrix2d< colvarmodule::real > & operator= (matrix2d< colvarmodule::real > const &m)
 Assignment.
 
colvarmodule::real ** c_array ()
 Return the 2-d C array.
 
void operator+= (matrix2d< colvarmodule::real > const &m)
 
void operator-= (matrix2d< colvarmodule::real > const &m)
 
void operator*= (cvm::real const &a)
 
void operator/= (cvm::real const &a)
 
std::string to_simple_string () const
 
int from_simple_string (std::string const &s)
 

Friends

cvm::rvector operator* (cvm::rmatrix const &m, cvm::rvector const &r)
 

Additional Inherited Members

- Static Public Member Functions inherited from colvarmodule::matrix2d< colvarmodule::real >
static void check_sizes (matrix2d< colvarmodule::real > const &m1, matrix2d< colvarmodule::real > const &m2)
 
- Public Attributes inherited from colvarmodule::matrix2d< colvarmodule::real >
size_t outer_length
 
size_t inner_length
 
- Protected Attributes inherited from colvarmodule::matrix2d< colvarmodule::real >
std::vector< colvarmodule::realdata
 
std::vector< row > rows
 
std::vector< colvarmodule::real *> pointers
 

Detailed Description

2-dimensional array of real numbers with three components along each dimension (works with colvarmodule::rvector)


The documentation for this class was generated from the following file: