CoordGroupHandle Class Reference
coordinate group, for trajectories and such
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#include <coord_group.hh>
Public Member Functions |
| CoordGroupHandle () |
| CoordGroupHandle (CoordSourcePtr source) |
EntityHandle | GetEntity () const |
uint | GetAtomCount () const |
uint | GetFrameCount () const |
float | GetDelta () const |
void | SetDelta (float d) |
float | GetStartTime () const |
void | SetStartTime (float t) |
void | SetFramePositions (uint frame, const geom::Vec3List &clist) |
void | SetFrameCellSize (uint frame, const geom::Vec3 &size) |
geom::Vec3List | GetFramePositions (uint frame) |
void | CopyFrame (uint frame) |
void | Capture () |
void | CaptureInto (int pos) |
void | Capture (uint frame) |
void | AddFrame (const geom::Vec3List &clist) |
void | AddFrame (const geom::Vec3List &clist, const geom::Vec3 &cell_size, const geom::Vec3 &cell_angles) |
void | AddFrames (const CoordGroupHandle &cg) |
void | SetAtomPos (uint frame, AtomHandle atom, const geom::Vec3 &pos) |
geom::Vec3 | GetAtomPos (uint frame, AtomHandle atom) const |
bool | IsValid () const |
| operator bool () const |
AtomHandleList | GetAtomList () const |
CoordFramePtr | GetFrame (uint frame) const |
CoordFrame | GetFrame2 (uint frame) |
CoordGroupHandle | Filter (const EntityView &selected, int first=0, int last=-1, int stride=1) const |
void | ApplyTransform (const geom::Transform &tf) |
Detailed Description
coordinate group, for trajectories and such
Definition at line 39 of file coord_group.hh.
Constructor & Destructor Documentation
create empty, invalid handle
Member Function Documentation
apply in-place transform to each coordinate in each frame
void Capture |
( |
uint |
frame |
) |
|
store current atom positions in given frame (must exist)
store current atom positions in new frame
void CaptureInto |
( |
int |
pos |
) |
|
void CopyFrame |
( |
uint |
frame |
) |
|
copy atom positions of given frame to stored atoms in entity
return a filtered coord group, containing only the atoms in the view
uint GetAtomCount |
( |
|
) |
const |
number of atoms per frame
retrieve an indidivial atom position in the given frame
time in ps between frames, default 0.0
return trajectories entity handle
uint GetFrameCount |
( |
|
) |
const |
get the positions of all the atoms in the given frame
float GetStartTime |
( |
|
) |
const |
start time in ps, default 0.0
check for handle validity
whether the handle is valid
set an indidivial atom position in the given frame
void SetDelta |
( |
float |
d |
) |
|
set time between each frame in ps
set cell size for the given frame
assign positions to the given frame - order and count must match initial atomlist
void SetStartTime |
( |
float |
t |
) |
|
The documentation for this class was generated from the following file: