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authorMagnus Lundborg <lundborg.magnus@gmail.com>2013-11-26 09:24:42 (GMT)
committerMagnus Lundborg <lundborg.magnus@gmail.com>2013-11-26 09:24:42 (GMT)
commit9c6b8ad67d2fa8c7a0a47e1449e0c59828206a24 (patch)
treee0e05950f0fe0189ed26bc5ad787cf56aec988fb /include
parent1b7fb41bfa28f41c2486ccba51cda288019ddaa5 (diff)
Added function tng_molecule_existing_add()
Diffstat (limited to 'include')
-rw-r--r--include/tng_io.h13
1 files changed, 13 insertions, 0 deletions
diff --git a/include/tng_io.h b/include/tng_io.h
index 4df522b..7028bdc 100644
--- a/include/tng_io.h
+++ b/include/tng_io.h
@@ -1418,6 +1418,19 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_w_id_add
tng_molecule_t *molecule);
/**
+ * @brief Add an existing molecule (from a molecule container) to the trajectory.
+ * @param tng_data is the trajectory data container containing the block..
+ * @param molecule is the molecule to add to the trajectory.
+ * @pre \code tng_data != 0 \endcode The trajectory container (tng_data)
+ * must be initialised before using it.
+ * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major error
+ * has occured.
+ */
+tng_function_status DECLSPECDLLEXPORT tng_molecule_existing_add
+ (tng_trajectory_t tng_data,
+ tng_molecule_t molecule);
+
+/**
* @brief Set the name of a molecule.
* @param tng_data is the trajectory data container containing the molecule..
* @param molecule is the molecule to rename.
contact: Jan Huwald // Impressum