votca::csg::Map_Ellipsoid Class Reference

Inheritance diagram for votca::csg::Map_Ellipsoid:

Collaboration diagram for votca::csg::Map_Ellipsoid:

Public Member Functions
	Map_Ellipsoid ()=default
void	Apply (const BoundaryCondition &) final
Public Member Functions inherited from votca::csg::Map_Sphere
	Map_Sphere ()=default
void	Apply (const BoundaryCondition &) override
virtual void	Initialize (const Molecule *in, Bead *out, tools::Property *opts_bead, tools::Property *opts_map) override
Public Member Functions inherited from votca::csg::BeadMap
	BeadMap ()=default
virtual	~BeadMap ()=default
virtual void	Apply (const BoundaryCondition &)=0
virtual void	Initialize (const Molecule *in, Bead *out, tools::Property *opts_bead, tools::Property *opts_map)=0

Additional Inherited Members
Protected Member Functions inherited from votca::csg::Map_Sphere
void	AddElem (const Bead *in, double weight, double force_weight)
Protected Attributes inherited from votca::csg::Map_Sphere
std::vector< element_t >	matrix_
Protected Attributes inherited from votca::csg::BeadMap
const Molecule *	in_
Bead *	out_
tools::Property *	opts_map_
tools::Property *	opts_bead_

Detailed Description

Definition at line 79 of file map.cc.

Constructor & Destructor Documentation

Map_Ellipsoid()

votca::csg::Map_Ellipsoid::Map_Ellipsoid ( )

default

Member Function Documentation

Apply()

void votca::csg::Map_Ellipsoid::Apply ( const BoundaryCondition &  bc )

finalvirtual

Todo:

implement this function

Safety check, if box is not open check if the bead is larger than the boundaries

Todo:

fix me, right calculation should be F_i = m_cg / sum(w_i) * sum(w_i/m_i*F_i)

Implements votca::csg::BeadMap.

Definition at line 258 of file map.cc.

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

• csg/src/libcsg/map.cc