diff options
Diffstat (limited to 'include/tng_io.hpp')
| -rw-r--r-- | include/tng_io.hpp | 20 |
1 files changed, 16 insertions, 4 deletions
diff --git a/include/tng_io.hpp b/include/tng_io.hpp index 4a2cabf..4e420b0 100644 --- a/include/tng_io.hpp +++ b/include/tng_io.hpp @@ -1,5 +1,5 @@ #ifndef _TNGIO_HPP -#define _TNGIO_HPP +#define _TNGIO_HPP #include "tng_io.h" @@ -31,7 +31,7 @@ public: friend class Residue; friend class Chain; friend class Molecule; - + //! Normal constructor Trajectory() { status = tng_trajectory_init(&traj); } @@ -448,6 +448,18 @@ public: return status = tng_num_frames_per_frame_set_get(traj,n); } + /** + * @brief Set the number of frames per frame set. + * @param n is the number of frames per frame set. + * @details This does not affect already existing frame sets. For + * consistency the number of frames per frame set should be set + * betfore creating any frame sets. + * @return TNG_SUCCESS (0) if successful. + */ + tng_function_status setNumFramesPerFrameSet(const int64_t n) + { + return status = tng_num_frames_per_frame_set_set(traj,n); + } /** * @brief Get the number of frame sets. @@ -1072,7 +1084,7 @@ public: Molecule(Trajectory * trajectory) { traj = trajectory; - + //status = tng_molecule_init(traj->traj,mol); } /** @@ -1291,4 +1303,4 @@ public: }; } -#endif +#endif |