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authorMagnus Lundborg <lundborg.magnus@gmail.com>2013-11-04 13:41:42 (GMT)
committerMagnus Lundborg <lundborg.magnus@gmail.com>2013-11-04 13:41:42 (GMT)
commit65443992d81a8845ba3597620d84e8652e83a254 (patch)
treef1a1c084c156210925d8009138a070d1cfb75366 /include/tng_io.hpp
parent0f1d005a2a7123f4077dbe3ff446ced8f240f1f8 (diff)
Changed from LGPL 2.1 license to the Revised BSD license.
Diffstat (limited to 'include/tng_io.hpp')
-rw-r--r--include/tng_io.hpp39
1 files changed, 26 insertions, 13 deletions
diff --git a/include/tng_io.hpp b/include/tng_io.hpp
index a4247d5..202f9db 100644
--- a/include/tng_io.hpp
+++ b/include/tng_io.hpp
@@ -1,3 +1,16 @@
+/* This code is part of the tng binary trajectory format.
+ *
+ * VERSION 1.4
+ *
+ * Written by Anders Gärdenäs
+ * Copyright (c) 2012-2013, The GROMACS development team.
+ * Check out http://www.gromacs.org for more information.
+ *
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the Revised BSD License.
+ */
+
#ifndef TNG_IO_HPP
#define TNG_IO_HPP
@@ -102,7 +115,7 @@ public:
{
return status = tng_output_file_set(traj, file_name);
}
-
+
/**
* @brief Get the endianness of the output file.
* current output file.
@@ -429,8 +442,8 @@ public:
{
return status = tng_time_per_frame_get(traj, time);
}
-
-
+
+
/**
* @brief Set the time per frame of the trajectory.
* @param len is the new time per frame.
@@ -442,7 +455,7 @@ public:
return status = tng_time_per_frame_set(traj, time);
}
-
+
/**
* @brief Get the length of the input file.
* @param len is pointing to a value set to the file length.
@@ -834,7 +847,7 @@ public:
return status = tng_frame_set_new(traj, first_frame, n_frames);
}
-
+
/**
* @brief Create and initialise a frame set with the time of the first frame
* specified.
@@ -864,7 +877,7 @@ public:
tng_function_status setTimeOfFirstFrameOfFrameSet
(const double first_frame_time)
{
- return status = tng_frame_set_first_frame_time_set(traj,
+ return status = tng_frame_set_first_frame_time_set(traj,
first_frame_time);
}
@@ -1121,7 +1134,7 @@ public:
n_values_per_frame, type);
}
-
+
/**
* @brief Read and retrieve a vector (1D array) of non-particle data,
* in a specific interval.
@@ -1233,7 +1246,7 @@ public:
return status = tng_particle_data_vector_get(traj, block_id,
values, n_frames,
stride_length,
- n_particles,
+ n_particles,
n_values_per_frame, type);
}
@@ -1277,7 +1290,7 @@ public:
type));
}
-
+
/**
* @brief Read and retrieve a vector (1D array) particle data, in a
* specific interval.
@@ -1442,7 +1455,7 @@ tng_function_status Trajectory::findMolecule
int64_t id,
Molecule_t molecule)
{
- return status = tng_molecule_find(traj, name, id,
+ return status = tng_molecule_find(traj, name, id,
&molecule->mol);
}
@@ -1545,7 +1558,7 @@ public:
atom_type, &atom->atom);
}
-
+
/**
* @brief Add an atom with a specific ID to a residue.
* @param atom_name is a string containing the name of the atom.
@@ -1636,7 +1649,7 @@ public:
return status = tng_chain_residue_add(traj->traj, chain,
name, &residue->residue);
}
-
+
/**
* @brief Add a residue with a specific ID to a chain.
* @param name is a string containing the name of the residue.
@@ -1684,7 +1697,7 @@ tng_function_status Molecule::findChain
int64_t id,
Chain *chain)
{
- return status = tng_molecule_chain_find(traj->traj, mol, name, id,
+ return status = tng_molecule_chain_find(traj->traj, mol, name, id,
&chain->chain);
}
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