Commit 67e00e03 authored by Tobias WEBER's avatar Tobias WEBER

continued with moldyn tool

parent d8a461cd
......@@ -150,6 +150,15 @@ class MolDyn
}
/**
* get atom coordinates for a specific frame
*/
const t_vec& GetAtomCoords(std::size_t idxType, std::size_t idxSubType, std::size_t iFrameIdx) const
{
return GetFrame(iFrameIdx).GetAtomCoords(idxType, idxSubType);
}
/**
* get atom coordinates for all frames
*/
......
This diff is collapsed.
......@@ -53,10 +53,15 @@ protected:
void AfterGLInitialisation();
void SliderValueChanged(int val);
void SelectAll();
void SelectNone();
std::tuple<bool, std::size_t, std::size_t, std::size_t> GetAtomIndexFromHandle(std::size_t handle) const;
void CalculateDistanceBetweenAtoms();
void CalculatePositionsOfAtoms();
void CalculateDeltaDistancesOfAtoms();
void DeleteAtomUnderCursor();
void DeleteAllAtomsOfSameType();
......
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