Added time_per_frame to frame set block.

The time step per frame is written in each frame set.
If the time step per frame changes the current frame set
is written to disk before changing the step size.

1 files changed, 28 insertions, 7 deletions

diff --git a/include/tng_io.h b/include/tng_io.h
index 2716ccf..0892fb8 100644
--- a/include/tng_io.h
+++ b/include/tng_io.h
@@ -877,6 +877,27 @@ tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_set
                  const int64_t len);
 
 /**
+ * @brief Get the current time per frame of the trajectory.
+ * @param tng_data is the trajectory from which to get the time per frame.
+ * @param len is pointing to a value set to the time per frame.
+ * @return TNG_SUCCESS (0) if successful.
+ */
+tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_get
+                (const tng_trajectory_t tng_data,
+                 double *time);
+
+/**
+ * @brief Set the time per frame of the trajectory.
+ * @param tng_data is the trajectory of which to set the time per frame.
+ * @param len is the new time per frame.
+ * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error
+ * has occurred.
+ */
+tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_set
+                (tng_trajectory_t tng_data,
+                 const double time);
+
+/**
  * @brief Get the length of the input file.
  * @param tng_data is the trajectory from which to get the input file length.
  * @param len is pointing to a value set to the file length.
@@ -1557,7 +1578,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_new
  * set.
  * @param first_frame is the first frame of the frame set.
  * @param n_frames is the number of frames in the frame set.
- * @param first_frame_time is the time stamp of the first frame (in fs).
+ * @param first_frame_time is the time stamp of the first frame (in seconds).
  * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error
  * has occurred or TNG_CRITICAL (2) if a major error has occured.
  */
@@ -1565,7 +1586,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new
                 (tng_trajectory_t tng_data,
                  const int64_t first_frame,
                  const int64_t n_frames,
-                 const int64_t first_frame_time);
+                 const double first_frame_time);
 
 /**
  * @brief Set the time stamp of the first frame of the current frame set.
@@ -1576,7 +1597,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new
  */
 tng_function_status DECLSPECDLLEXPORT tng_frame_set_first_frame_time_set
                 (tng_trajectory_t tng_data,
-                 const int64_t first_frame_time);
+                 const double first_frame_time);
 
 /**
  * @brief Add a non-particle dependent data block.
@@ -2472,7 +2493,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write
  * is set.
  * @param tng_data is the trajectory to use.
  * @param frame_nr is the frame number of the data.
- * @param time is the time stamp of the frame (in fs).
+ * @param time is the time stamp of the frame (in seconds).
  * @param positions is a 1D array of data to add. The array should be of length
  * n_particles * 3.
  * @details This function uses tng_util_generic_write() and will
@@ -2497,7 +2518,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_with_time_write
  * is set.
  * @param tng_data is the trajectory to use.
  * @param frame_nr is the frame number of the data.
- * @param time is the time stamp of the frame (in fs).
+ * @param time is the time stamp of the frame (in seconds).
  * @param velocities is a 1D array of data to add. The array should be of length
  * n_particles * 3.
  * @details This function uses tng_util_generic_write() and will
@@ -2522,7 +2543,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_with_time_write
  * is set.
  * @param tng_data is the trajectory to use.
  * @param frame_nr is the frame number of the data.
- * @param time is the time stamp of the frame (in fs).
+ * @param time is the time stamp of the frame (in seconds).
  * @param forces is a 1D array of data to add. The array should be of length
  * n_particles * 3.
  * @details This function uses tng_util_generic_write() and will
@@ -2547,7 +2568,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_with_time_write
  * is set.
  * @param tng_data is the trajectory to use.
  * @param frame_nr is the frame number of the data.
- * @param time is the time stamp of the frame (in fs).
+ * @param time is the time stamp of the frame (in seconds).
  * @param box_shape is a 1D array of data to add. The array should be of length 9.
  * @details This function uses tng_util_generic_write() and will
  * create a box shape data block if none exists. Box shapes are stored as 9