#include <BALL/STRUCTURE/reducedSurface.h>
Generic RSComputer Class.
Definition at line 475 of file reducedSurface.h.
◆ AtomStatus
status of an atom 0
on surface 1
inside 2
outside
Enumerator |
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STATUS_ON_SURFACE | |
STATUS_INSIDE | |
STATUS_UNKNOWN | |
Definition at line 502 of file reducedSurface.h.
◆ ProbeStatus
status of the probe positions of three atoms: 0
ok 1
not ok 2
not tested
Enumerator |
---|
STATUS_OK | |
STATUS_NOT_OK | |
STATUS_NOT_TESTED | |
Definition at line 490 of file reducedSurface.h.
◆ RSComputer() [1/2]
BALL::RSComputer::RSComputer |
( |
| ) |
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Default constructor. All components are initialized to (T)0
or NULL
, respectivly.
◆ RSComputer() [2/2]
◆ ~RSComputer()
virtual BALL::RSComputer::~RSComputer |
( |
| ) |
|
|
virtual |
◆ run()
void BALL::RSComputer::run |
( |
| ) |
|
Compute the reduced surface
- Exceptions
-
◆ atom_status_
std::vector< AtomStatus > BALL::RSComputer::atom_status_ |
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protected |
◆ neighbours_
std::vector< std::deque<Index> > BALL::RSComputer::neighbours_ |
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protected |
◆ neighbours_of_two_
◆ new_faces_
◆ new_vertices_
std::deque<RSVertex*> BALL::RSComputer::new_vertices_ |
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protected |
◆ probe_positions_
◆ rm_vertices_
◆ rs_
◆ vertices_
std::vector< std::list<RSVertex*> > BALL::RSComputer::vertices_ |
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protected |