diff options
author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-04 13:41:42 (GMT) |
---|---|---|
committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-04 13:41:42 (GMT) |
commit | 65443992d81a8845ba3597620d84e8652e83a254 (patch) | |
tree | f1a1c084c156210925d8009138a070d1cfb75366 /include/tng_io.hpp | |
parent | 0f1d005a2a7123f4077dbe3ff446ced8f240f1f8 (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.hpp | 39 |
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); } |