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path: root/src/lib/tng_io.c
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2013-11-29Added tng_util_compression_next_frame_get(). Fixed compression.Magnus Lundborg
If compressing one frame using TNG-MF1 when the default number of frames per frame set is higher always try to find the best compression algorithm and do not store it. Otherwise there might be attempts to use incompatible compressions algorithms.
2013-11-28Fixes.Magnus Lundborg
2013-11-28Some fixes for indicating what is the first frame of a data block.Magnus Lundborg
2013-11-28Another minor fix.Magnus Lundborg
2013-11-28Final fixing of mol system copying?Magnus Lundborg
2013-11-28More bug fixing when copying molecules.Magnus Lundborg
2013-11-28Fixing bug when copying molecules.Magnus Lundborg
2013-11-28Use compression_multiplier to specify the precision of compressionMagnus Lundborg
Do not actually multiply TNG compressed values (done by the TNG compression automatically) or GZIP compressed values (no multiplier required). Bug fixes.
2013-11-27Improved prematurely finished frame sets.Magnus Lundborg
2013-11-27Fixed opening files for appending (might still not be perfect).Magnus Lundborg
Flush file when writing trajectory frame set.
2013-11-26Added tng_molecule_system_copy()Magnus Lundborg
2013-11-26Write current frame set if time per frame is changed.Magnus Lundborg
Other minor fixes.
2013-11-26Modified tng_molecule_existing_add()Magnus Lundborg
2013-11-26Function tng_molecule_atom_find() added.Magnus Lundborg
2013-11-26Added functions tng_molecule_alloc() and tng_molecule_free()Magnus Lundborg
2013-11-26Added function tng_molecule_existing_add()Magnus Lundborg
2013-11-20More compiler warnings fixed.Magnus Lundborg
2013-11-20Fixed compiler warnings.Magnus Lundborg
2013-11-20Return TNG_SUCCESS when finished.Magnus Lundborg
2013-11-20Added function tng_data_get_stride_length()Magnus Lundborg
Retrieves the stride length of a data block.
2013-11-20Added function to read only data from specific block ID from current frame set.Magnus Lundborg
Fixed a lot of bugs regarding reading next frame one at a time.
2013-11-19Added read next frame functionality.Magnus Lundborg
Also avoided reading all data blocks when reading a frame set, it's now possible to read only a certain block. This could cause unforeseen problems. Keep an eye on this!
2013-11-19Fail more elegantly if there are no particles when setting stride length.Magnus Lundborg
In that case do not reserve memory either.
2013-11-15Added tng_num_molecule_types_get()Magnus Lundborg
2013-11-15Added tng_molecule_of_index_get()Magnus Lundborg
2013-11-15Bug fix in tng_util_trajectory_molecules_getMagnus Lundborg
2013-11-15Fix frame_set_of_frame_find()Magnus Lundborg
Make the function work even if there are gaps between frame sets.
2013-11-15Removed debug statement.Magnus Lundborg
2013-11-15Do not write current frame set when changing time per frame.Magnus Lundborg
2013-11-15Temporary debug statements.Magnus Lundborg
2013-11-15Added function for reading first frame of next frame set.Magnus Lundborg
Better file position management when reading next/last frame set info. Temporary debug statements.
2013-11-15More improvements when creating new frame sets.Magnus Lundborg
2013-11-15Compression precision can be set. Improved new frame set settings.Magnus Lundborg
Two functions for getting and setting precision of lossy compression. Functions automatically creating new frame sets when needed now have better frame settings.
2013-11-14Use frames_per_frame_set when from utility functions.Magnus Lundborg
When creating new frame sets use the specified number of frames per frame set.
2013-11-14Disabled tng_util_trajectory_molecule_add() again.Magnus Lundborg
More fixes to tng_implicit_num_particles_set().
2013-11-14Set the molecule count correctly in tng_implicit_num_particles_set()Magnus Lundborg
2013-11-14Minor fixes in tng_implicit_num_particles_set().Magnus Lundborg
2013-11-14Fixed tng_molecule_cnt_list_get() and modified tng_implicit_num_particles_set().Magnus Lundborg
tng_molecule_list_get() had wrong input parameters. It could not return the list. tng_implicit_num_particles_set() now creates a TNG_IMPLICIT_MOL molecule and sets the count to make up for the missing particles. Otherwise the file cannot be properly opened afterwards.
2013-11-12More modifications to tng_util_trajectory_molecules_get()Magnus Lundborg
2013-11-12Modified tng_util_trajectory_molecules_get() input.Magnus Lundborg
tng_util_trajectory_molecules_get() was not used outside the API yet. Also fixed compiler warnings.
2013-11-11Added info about assertions in the docs.Magnus Lundborg
Some more assertions added.
2013-11-11Basic assertions added to most functions.Magnus Lundborg
2013-11-07Started to add assertions in functions.Magnus Lundborg
Fixed a bug in tng_implicit_num_particles_set().
2013-11-07Added function to set implicit number of particles.Magnus Lundborg
When there is not molecular system the number of particles can now be specified using tng_implicit_num_particles_set().
2013-11-07Correct bug in compression function. Use correct algorithm.Magnus Lundborg
2013-11-07Return FAILURE if a requested data block is not found.Magnus Lundborg
2013-11-06Added "TNG library: " to all text output.Magnus Lundborg
2013-11-06Fixed bug in pointers when reading bonds.Magnus Lundborg
2013-11-06Added new functions.Magnus Lundborg
Added tng_molecule_bond_add(), tng_molecule_id_of_particle_nr_get() and tng_global_residue_id_of_particle_nr_get()
2013-11-04Initialise variables in for loop.Magnus Lundborg
contact: Jan Huwald // Impressum