19 #ifndef OST_XCS_EDITOR_HE
20 #define OST_XCS_EDITOR_HE
31 namespace ost {
namespace mol {
Three dimensional vector class, using Real precision.
base class for entity editors
external coordinate system editor
XCSEditor & operator=(const XCSEditor &rhs)
void SetAtomPos(const AtomHandleList &alist, double *positions)
same as SetTransformedPos(AtomHandleList,double*)
void SetAtomPos(const AtomHandle &atom, const geom::Vec3 &position)
same as SetAtomTransformedPos(AtomHandle, geom::Vec3)
void SetTransform(const geom::Mat4 &transform)
apply a new transformation to all atoms
XCSEditor(const XCSEditor &rhs)
void FixTransform()
set transformed pos to new original pos
void SetAtomTransformedPos(const AtomHandleList &alist, double *positions)
numpy double interface
XCSEditor()
create invalid xcs editor
void UpdateICS()
immediately update internal coordinate system
void ForceUpdate()
force spatial organizer and ics update workaround for delayed dtor call from Python garbage collectio...
void SetAtomPos(const AtomHandleList &alist, float *positions)
same as SetTransformedPos(AtomHandleList,float*)
void SetAtomOriginalPos(const AtomHandleList &alist, double *positions)
numpy double interface
void ApplyTransform(const geom::Mat4 &transform)
apply additional transformation to all atoms
void SetAtomTransformedPos(const AtomHandleList &alist, float *positions)
numpy float interface
void SetAtomOriginalPos(const AtomHandleList &alist, float *positions)
numpy float interface
void ApplyTransform(const geom::Transform &transform)
XCSEditor(const EntityHandle &ent, EditMode mode)
void SetAtomOriginalPos(const AtomHandle &atom, const geom::Vec3 &position)
set original position of atom This function also updates the stores transformed coordinates
void SetAtomTransformedPos(const AtomHandle &atom, const geom::Vec3 &position)
set transformed position of atom
void SetTransform(const geom::Transform &transform)
#define DLLEXPORT_OST_MOL
std::vector< AtomHandle > AtomHandleList