summaryrefslogtreecommitdiff
path: root/include/tng_io.hpp
diff options
context:
space:
mode:
authorMagnus Lundborg <lundborg.magnus@gmail.com>2013-05-02 07:04:29 (GMT)
committerMagnus Lundborg <lundborg.magnus@gmail.com>2013-05-02 07:04:29 (GMT)
commit1db97f7a2cf1f1fe1b892fcfa78d8fdf187adf0a (patch)
tree93755eff8820ddd75bfa527601c81e10971e0e34 /include/tng_io.hpp
parent7016bb812d5342de0af48ac2e0004a0632935075 (diff)
Added function tng_num_frames_per_frame_set_set
Diffstat (limited to 'include/tng_io.hpp')
-rw-r--r--include/tng_io.hpp20
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
contact: Jan Huwald // Impressum