Molassembler  1.0.0
Molecule graph and conformer library
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Macros Pages
Scine::Molassembler::Shapes::Elements::SymmetryElement Struct Referenceabstract

Base class for symmetry elements. More...

#include <PointGroupElements.h>

Inheritance diagram for Scine::Molassembler::Shapes::Elements::SymmetryElement:

Public Types

using Vector = Eigen::Vector3d
 
using Matrix = Eigen::Matrix3d
 
using Ptr = std::unique_ptr< SymmetryElement >
 

Public Member Functions

virtual Matrix matrix () const =0
 Returns a matrix representation of the symmetry element operation.
 
virtual boost::optional< Vector > vector () const =0
 Returns a spatial vector unaffected by the symmetry element, if that exists.
 
virtual std::string name () const =0
 Returns a debug string representation of the element.
 

Detailed Description

Base class for symmetry elements.


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