#include <BALL/STRUCTURE/geometricProperties.h>
Inheritance diagram for BALL::GeometricCenterProcessor:
Public Member Functions | |
Processor related methods | |
| virtual bool | start () |
| virtual bool | finish () |
| virtual Processor::Result | operator() (const Atom &atom) |
| virtual Processor::Result | operator() (const Vector3 &v) |
 Public Member Functions inherited from BALL::ConstUnaryProcessor< Atom > | |
| virtual | ~ConstUnaryProcessor () |
Accessors | |
| Vector3 & | getCenter () |
Additional Inherited Members | |
| Public Types inherited from BALL::UnaryFunctor< ArgumentType, ResultType > | |
| typedef ResultType | result_type |
| typedef ArgumentType | argument_type |
| typedef ArgumentType & | argument_reference |
| typedef const ArgumentType & | const_argument_reference |
| typedef ArgumentType * | argument_pointer |
| typedef const ArgumentType * | const_argument_pointer |
Detailed Description
Calculates the geometric center of a given Composite object. This processor calculates the geometric center of the atom coordinates of a given molecular object.
- The geometric center is calculated as follows:
- [ \vec{C} = \frac{1}{N} \sum_{i}{N} \vec{r_i} ] Where $\vec{r_i}$ represents the coordinates of the ith atom.
Definition at line 133 of file geometricProperties.h.
Member Function Documentation
◆ finish()
|
virtual |
Reimplemented from BALL::ConstUnaryProcessor< Atom >.
◆ getCenter()
| Vector3& BALL::GeometricCenterProcessor::getCenter | ( | ) |
Returns the center of the object
◆ operator()() [1/2]
|
inlinevirtual |
Reimplemented from BALL::ConstUnaryProcessor< Atom >.
Definition at line 154 of file geometricProperties.h.
◆ operator()() [2/2]
|
virtual |
◆ start()
|
virtual |
Reimplemented from BALL::ConstUnaryProcessor< Atom >.
