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authorMagnus Lundborg <magnus.lundborg@scilifelab.se>2012-12-03 16:57:57 (GMT)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>2012-12-03 16:57:57 (GMT)
commitfa78b5bab2b7884a294de10fdbfca8a380823d79 (patch)
treef75345ecb10d6dc74225c247179895f7ae1dac60 /src
parent2742db93246135f910c74255dbd935bcf8438650 (diff)
Typedef tng_trajectory to restrict data access to the API.
Diffstat (limited to 'src')
-rw-r--r--src/lib/tng_io.c132
-rw-r--r--src/lib/tng_io.h144
-rw-r--r--src/tests/tng_io_testing.c6
3 files changed, 136 insertions, 146 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c
index 73a92c1..57cd31f 100644
--- a/src/lib/tng_io.c
+++ b/src/lib/tng_io.c
@@ -37,7 +37,7 @@
/* This function swaps the byte order of a 32 bit numerical variable.
It does not only work with integer, but e.g. floats need casting */
static inline tng_function_status tng_swap_byte_order_32
- (const struct tng_trajectory *tng_data, int32_t *v)
+ (const tng_trajectory_t tng_data, int32_t *v)
{
switch(tng_data->endianness_32)
{
@@ -68,7 +68,7 @@ static inline tng_function_status tng_swap_byte_order_32
The byte order swapping routine can convert five different byte
orders to big endian. */
static inline tng_function_status tng_swap_byte_order_64
- (const struct tng_trajectory *tng_data, int64_t *v)
+ (const tng_trajectory_t tng_data, int64_t *v)
{
switch(tng_data->endianness_64)
{
@@ -158,7 +158,7 @@ static tng_function_status tng_verify_hash_match(struct tng_gen_block *block,
}
-static tng_function_status tng_init_input_file(struct tng_trajectory *tng_data,
+static tng_function_status tng_init_input_file(tng_trajectory_t tng_data,
const tng_bool update_read_pos)
{
if(!tng_data->input_file)
@@ -195,7 +195,7 @@ static tng_function_status tng_init_input_file(struct tng_trajectory *tng_data,
}
static tng_function_status tng_init_output_file
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
const tng_bool update_write_pos)
{
if(!tng_data->output_file)
@@ -240,7 +240,7 @@ static tng_function_status tng_init_output_file
}
static tng_function_status tng_read_block_header
- (struct tng_trajectory *tng_data, struct tng_gen_block *block)
+ (tng_trajectory_t tng_data, struct tng_gen_block *block)
{
int len, offset = 0;
@@ -369,7 +369,7 @@ static tng_function_status tng_read_block_header
}
static tng_function_status tng_write_block_header
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block, write_mode mode)
{
int name_len, offset = 0;
@@ -511,7 +511,7 @@ static tng_function_status tng_write_block_header
static tng_function_status tng_read_general_info_block
- (struct tng_trajectory *tng_data, struct tng_gen_block *block)
+ (tng_trajectory_t tng_data, struct tng_gen_block *block)
{
int len, offset = 0;
tng_bool same_hash;
@@ -694,7 +694,7 @@ static tng_function_status tng_read_general_info_block
}
static tng_function_status tng_write_general_info_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
write_mode mode)
{
@@ -948,7 +948,7 @@ static tng_function_status tng_write_general_info_block
/* FIXME: Update this according to the new specs */
static tng_function_status tng_read_molecules_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block)
{
int i, j, k, l, len, offset = 0;
@@ -1361,7 +1361,7 @@ static tng_function_status tng_read_molecules_block
/* FIXME: Update this according to the new specs */
static tng_function_status tng_write_molecules_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
write_mode mode)
{
@@ -1830,7 +1830,7 @@ static tng_function_status tng_write_molecules_block
static tng_function_status tng_read_frame_set_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block)
{
int i, file_pos, offset = 0;
@@ -2060,7 +2060,7 @@ static tng_function_status tng_read_frame_set_block
}
static tng_function_status tng_write_frame_set_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
write_mode mode)
{
@@ -2267,7 +2267,7 @@ static tng_function_status tng_write_frame_set_block
}
static tng_function_status tng_read_trajectory_toc_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block)
{
int64_t i, old_n_blocks;
@@ -2381,7 +2381,7 @@ static tng_function_status tng_read_trajectory_toc_block
}
static tng_function_status tng_write_trajectory_toc_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
write_mode mode)
{
@@ -2503,7 +2503,7 @@ static tng_function_status tng_write_trajectory_toc_block
}
static tng_function_status tng_read_trajectory_mapping_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block)
{
int64_t i, old_n_particles;
@@ -2643,7 +2643,7 @@ static tng_function_status tng_read_trajectory_mapping_block
}
static tng_function_status tng_write_trajectory_mapping_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
int mapping_block_nr,
write_mode mode)
@@ -2793,7 +2793,7 @@ static tng_function_status tng_write_trajectory_mapping_block
}
static tng_function_status tng_create_particle_data_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
const tng_block_type block_type_flag)
{
struct tng_trajectory_frame_set *frame_set =
@@ -2911,7 +2911,7 @@ tng_function_status tng_allocate_particle_data_mem
}
static tng_function_status tng_read_particle_data
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
int *offset,
const char datatype,
@@ -3135,7 +3135,7 @@ static tng_function_status tng_read_particle_data
static tng_function_status tng_write_particle_data_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block,
const int block_index,
const struct tng_particle_mapping *mapping,
@@ -3511,7 +3511,7 @@ static tng_function_status tng_write_particle_data_block
/* UNTESTED */
static tng_function_status tng_create_data_block
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
const tng_block_type block_type_flag)
{
struct tng_trajectory_frame_set *frame_set =
@@ -3616,7 +3616,7 @@ tng_function_status tng_allocate_data_mem
return(TRG_SUCCESS);
}
-static tng_function_status tng_read_data(struct tng_trajectory *tng_data,
+static tng_function_status tng_read_data(tng_trajectory_t tng_data,
struct tng_gen_block *block,
int *offset,
const char datatype,
@@ -3819,7 +3819,7 @@ static tng_function_status tng_read_data(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-static tng_function_status tng_write_data_block(struct tng_trajectory *tng_data,
+static tng_function_status tng_write_data_block(tng_trajectory_t tng_data,
struct tng_gen_block *block,
const int block_index,
const write_mode mode)
@@ -4140,7 +4140,7 @@ static tng_function_status tng_write_data_block(struct tng_trajectory *tng_data,
}
static tng_function_status tng_read_data_block_contents
- (struct tng_trajectory *tng_data,
+ (tng_trajectory_t tng_data,
struct tng_gen_block *block)
{
int64_t n_values, codec_id, n_frames, first_frame_with_data;
@@ -4362,7 +4362,7 @@ static tng_function_status tng_read_data_block_contents
}
}
-static tng_function_status tng_update_md5_hash(struct tng_trajectory *tng_data,
+static tng_function_status tng_update_md5_hash(tng_trajectory_t tng_data,
struct tng_gen_block *block,
int64_t header_start_pos,
int64_t contents_start_pos)
@@ -4392,7 +4392,7 @@ static tng_function_status tng_update_md5_hash(struct tng_trajectory *tng_data,
static tng_function_status tng_update_header_pointers
- (struct tng_trajectory *tng_data)
+ (tng_trajectory_t tng_data)
{
struct tng_gen_block block;
FILE *temp = tng_data->input_file;
@@ -4480,7 +4480,7 @@ static tng_function_status tng_update_header_pointers
}
static tng_function_status tng_update_frame_set_pointers
- (struct tng_trajectory *tng_data)
+ (tng_trajectory_t tng_data)
{
struct tng_gen_block block;
struct tng_trajectory_frame_set *frame_set;
@@ -4603,7 +4603,7 @@ static tng_function_status tng_update_frame_set_pointers
}
-tng_function_status tng_set_block_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_block_name(tng_trajectory_t tng_data,
struct tng_gen_block *block,
const char *new_name)
{
@@ -4683,7 +4683,7 @@ tng_function_status tng_destroy_block(struct tng_gen_block *block)
return(TRG_SUCCESS);
}
-tng_function_status tng_set_atom_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_atom_name(tng_trajectory_t tng_data,
struct tng_atom *atom,
const char *new_name)
{
@@ -4712,7 +4712,7 @@ tng_function_status tng_set_atom_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_atom_type(struct tng_trajectory *tng_data,
+tng_function_status tng_set_atom_type(tng_trajectory_t tng_data,
struct tng_atom *atom,
const char *new_type)
{
@@ -4765,7 +4765,7 @@ tng_function_status tng_destroy_atom(struct tng_atom *atom)
return(TRG_SUCCESS);
}
-tng_function_status tng_add_molecule(struct tng_trajectory *tng_data,
+tng_function_status tng_add_molecule(tng_trajectory_t tng_data,
const char *name,
struct tng_molecule **molecule)
{
@@ -4835,7 +4835,7 @@ tng_function_status tng_add_molecule(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_molecule_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_molecule_name(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
const char *new_name)
{
@@ -4864,7 +4864,7 @@ tng_function_status tng_set_molecule_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_get_molecule_cnt(struct tng_trajectory *tng_data,
+tng_function_status tng_get_molecule_cnt(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
int64_t *cnt)
{
@@ -4887,7 +4887,7 @@ tng_function_status tng_get_molecule_cnt(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_molecule_cnt(struct tng_trajectory *tng_data,
+tng_function_status tng_set_molecule_cnt(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
const int64_t cnt)
{
@@ -4914,7 +4914,7 @@ tng_function_status tng_set_molecule_cnt(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_add_chain_to_molecule(struct tng_trajectory *tng_data,
+tng_function_status tng_add_chain_to_molecule(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
const char *name,
struct tng_chain **chain)
@@ -4949,7 +4949,7 @@ tng_function_status tng_add_chain_to_molecule(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_chain_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_chain_name(tng_trajectory_t tng_data,
struct tng_chain *chain,
const char *new_name)
{
@@ -4978,7 +4978,7 @@ tng_function_status tng_set_chain_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_add_residue_to_chain(struct tng_trajectory *tng_data,
+tng_function_status tng_add_residue_to_chain(tng_trajectory_t tng_data,
struct tng_chain *chain,
const char *name,
struct tng_residue **residue)
@@ -5055,7 +5055,7 @@ tng_function_status tng_add_residue_to_chain(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_residue_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_residue_name(tng_trajectory_t tng_data,
struct tng_residue *residue,
const char *new_name)
{
@@ -5084,7 +5084,7 @@ tng_function_status tng_set_residue_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_add_atom_to_residue(struct tng_trajectory *tng_data,
+tng_function_status tng_add_atom_to_residue(tng_trajectory_t tng_data,
struct tng_residue *residue,
const char *atom_name,
const char *atom_type,
@@ -5238,7 +5238,7 @@ tng_function_status tng_destroy_molecule(struct tng_molecule *molecule)
return(TRG_SUCCESS);
}
-tng_function_status tng_init_trajectory(struct tng_trajectory *tng_data)
+tng_function_status tng_init_trajectory(tng_trajectory_t tng_data)
{
time_t seconds;
struct tng_trajectory_frame_set *frame_set =
@@ -5394,7 +5394,7 @@ tng_function_status tng_init_trajectory(struct tng_trajectory *tng_data)
return(TRG_SUCCESS);
}
-tng_function_status tng_destroy_trajectory(struct tng_trajectory *tng_data)
+tng_function_status tng_destroy_trajectory(tng_trajectory_t tng_data)
{
int64_t n_frames, n_particles;
int i, j, k, l;
@@ -5718,7 +5718,7 @@ tng_function_status tng_destroy_trajectory(struct tng_trajectory *tng_data)
return(TRG_SUCCESS);
}
-tng_function_status tng_set_input_file(struct tng_trajectory *tng_data,
+tng_function_status tng_set_input_file(tng_trajectory_t tng_data,
const char *file_name)
{
int len;
@@ -5750,7 +5750,7 @@ tng_function_status tng_set_input_file(struct tng_trajectory *tng_data,
return(tng_init_input_file(tng_data, FALSE));
}
-tng_function_status tng_set_output_file(struct tng_trajectory *tng_data,
+tng_function_status tng_set_output_file(tng_trajectory_t tng_data,
const char *file_name)
{
int len;
@@ -5783,7 +5783,7 @@ tng_function_status tng_set_output_file(struct tng_trajectory *tng_data,
}
-tng_function_status tng_set_program_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_program_name(tng_trajectory_t tng_data,
const char *new_name)
{
int len;
@@ -5811,7 +5811,7 @@ tng_function_status tng_set_program_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_forcefield_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_forcefield_name(tng_trajectory_t tng_data,
const char *new_name)
{
int len;
@@ -5839,7 +5839,7 @@ tng_function_status tng_set_forcefield_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_user_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_user_name(tng_trajectory_t tng_data,
const char *new_name)
{
int len;
@@ -5867,7 +5867,7 @@ tng_function_status tng_set_user_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_computer_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_computer_name(tng_trajectory_t tng_data,
const char *new_name)
{
int len;
@@ -5895,7 +5895,7 @@ tng_function_status tng_set_computer_name(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_set_signature(struct tng_trajectory *tng_data,
+tng_function_status tng_set_signature(tng_trajectory_t tng_data,
const char *signature)
{
int len;
@@ -5923,7 +5923,7 @@ tng_function_status tng_set_signature(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_read_file_headers(struct tng_trajectory *tng_data,
+tng_function_status tng_read_file_headers(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
int i, cnt = 0, prev_pos = 0;
@@ -5997,7 +5997,7 @@ tng_function_status tng_read_file_headers(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_write_file_headers(struct tng_trajectory *tng_data,
+tng_function_status tng_write_file_headers(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
int i;
@@ -6072,7 +6072,7 @@ tng_function_status tng_write_file_headers(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_read_next_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_block(tng_trajectory_t tng_data,
struct tng_gen_block *block,
tng_close_file_flag close_file)
{
@@ -6110,7 +6110,7 @@ tng_function_status tng_read_next_block(struct tng_trajectory *tng_data,
}
}
-// tng_function_status tng_write_block(struct tng_trajectory *tng_data,
+// tng_function_status tng_write_block(tng_trajectory_t tng_data,
// struct tng_gen_block *block,
// tng_close_file_flag close_file)
// {
@@ -6168,7 +6168,7 @@ tng_function_status tng_read_next_block(struct tng_trajectory *tng_data,
// return(TRG_SUCCESS);
// }
-tng_function_status tng_read_next_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_frame_set(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
long int file_pos;
@@ -6256,7 +6256,7 @@ tng_function_status tng_read_next_frame_set(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_write_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_set(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
int i, j;
@@ -6342,7 +6342,7 @@ tng_function_status tng_write_frame_set(struct tng_trajectory *tng_data,
return(stat);
}
-tng_function_status tng_new_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_new_frame_set(tng_trajectory_t tng_data,
const int64_t first_frame,
const int64_t n_frames)
{
@@ -6477,7 +6477,7 @@ tng_function_status tng_new_frame_set(struct tng_trajectory *tng_data,
}
/* UNTESTED */
-tng_function_status tng_add_data_block(struct tng_trajectory *tng_data,
+tng_function_status tng_add_data_block(tng_trajectory_t tng_data,
const int64_t id,
const char *block_name,
const char datatype,
@@ -6651,7 +6651,7 @@ tng_function_status tng_add_data_block(struct tng_trajectory *tng_data,
}
-tng_function_status tng_add_particle_data_block(struct tng_trajectory *tng_data,
+tng_function_status tng_add_particle_data_block(tng_trajectory_t tng_data,
const int64_t id,
const char *block_name,
const char datatype,
@@ -6844,21 +6844,21 @@ tng_function_status tng_add_particle_data_block(struct tng_trajectory *tng_data,
}
-tng_function_status tng_read_next_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_traj_block(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
/* STUB */
return(TRG_SUCCESS);
}
-tng_function_status tng_write_next_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_write_next_traj_block(tng_trajectory_t tng_data,
tng_close_file_flag close_file)
{
/* STUB */
return(TRG_SUCCESS);
}
-tng_function_status tng_read_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_traj_block(tng_trajectory_t tng_data,
int64_t block_id,
tng_close_file_flag close_file)
{
@@ -6866,7 +6866,7 @@ tng_function_status tng_read_traj_block(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_write_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_write_traj_block(tng_trajectory_t tng_data,
int64_t block_id,
tng_close_file_flag close_file)
{
@@ -6874,7 +6874,7 @@ tng_function_status tng_write_traj_block(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_read_frame_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_nr(tng_trajectory_t tng_data,
int64_t frame_nr,
tng_close_file_flag close_file)
{
@@ -6882,7 +6882,7 @@ tng_function_status tng_read_frame_nr(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_write_frame_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_nr(tng_trajectory_t tng_data,
int64_t frame_nr,
tng_close_file_flag close_file)
{
@@ -6890,7 +6890,7 @@ tng_function_status tng_write_frame_nr(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_read_frame_nrs(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_nrs(tng_trajectory_t tng_data,
int64_t start_frame_nr,
int64_t end_frame_nr,
tng_close_file_flag close_file)
@@ -6899,7 +6899,7 @@ tng_function_status tng_read_frame_nrs(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_write_frame_nrs(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_nrs(tng_trajectory_t tng_data,
int64_t start_frame_nr,
int64_t end_frame_nr,
tng_close_file_flag close_file)
@@ -6908,14 +6908,14 @@ tng_function_status tng_write_frame_nrs(struct tng_trajectory *tng_data,
return(TRG_SUCCESS);
}
-tng_function_status tng_read_frame_set_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_set_nr(tng_trajectory_t tng_data,
int64_t frame_set_nr)
{
return(TRG_SUCCESS);
}
-tng_function_status tng_get_time_str(struct tng_trajectory *tng_data,
+tng_function_status tng_get_time_str(tng_trajectory_t tng_data,
char *time)
{
struct tm *time_data;
diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h
index 2c79c66..f7d6999 100644
--- a/src/lib/tng_io.h
+++ b/src/lib/tng_io.h
@@ -82,6 +82,9 @@ typedef enum {TRG_CHAR_DATA,
+
+typedef struct tng_trajectory *tng_trajectory_t;
+
#ifdef __cplusplus
extern "C"
{
@@ -346,25 +349,25 @@ struct tng_trajectory {
*tng_data is a pointer to pre-allocated memory.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_init_trajectory(struct tng_trajectory *tng_data);
+tng_function_status tng_init_trajectory(tng_trajectory_t tng_data);
/* Clean up a trajectory data container.
*tng_data is a pointer to pre-allocated memory containing trajectory data.
All allocated memory in the data structure is freed.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_destroy_trajectory(struct tng_trajectory *tng_data);
+tng_function_status tng_destroy_trajectory(tng_trajectory_t tng_data);
/* Set the name of the input file.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_input_file(struct tng_trajectory *tng_data,
+tng_function_status tng_set_input_file(tng_trajectory_t tng_data,
const char *file_name);
/* Set the name of the output file.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_output_file(struct tng_trajectory *tng_data,
+tng_function_status tng_set_output_file(tng_trajectory_t tng_data,
const char *file_name);
/* Set the program name used when creating the trajectory.
@@ -372,7 +375,7 @@ tng_function_status tng_set_output_file(struct tng_trajectory *tng_data,
*new_name is a pointer to the string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_program_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_program_name(tng_trajectory_t tng_data,
const char *new_name);
/* Set the name of the forcefield used in the trajectory.
@@ -380,7 +383,7 @@ tng_function_status tng_set_program_name(struct tng_trajectory *tng_data,
*new_name is a pointer to the string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_forcefield_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_forcefield_name(tng_trajectory_t tng_data,
const char *new_name);
/* Set the name of the user creating the trajectory.
@@ -388,7 +391,7 @@ tng_function_status tng_set_forcefield_name(struct tng_trajectory *tng_data,
*new_name is a pointer to the string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_user_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_user_name(tng_trajectory_t tng_data,
const char *new_name);
/* Set the name of the computer used when creating the trajectory.
@@ -396,7 +399,7 @@ tng_function_status tng_set_user_name(struct tng_trajectory *tng_data,
*new_name is a pointer to the string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_computer_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_computer_name(tng_trajectory_t tng_data,
const char *new_name);
/* Set the pgp_signature of the trajectory.
@@ -404,7 +407,7 @@ tng_function_status tng_set_computer_name(struct tng_trajectory *tng_data,
*signature is a pointer to the string containing the pgp_signature.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_signature(struct tng_trajectory *tng_data,
+tng_function_status tng_set_signature(tng_trajectory_t tng_data,
const char *signature);
/* Setup a molecule container.
@@ -434,96 +437,96 @@ tng_function_status tng_init_block(struct tng_gen_block *block);
tng_function_status tng_destroy_block(struct tng_gen_block *block);
/* Set the name of a data block.
- *tng_data is a pointer to the trajectory containing the block.
+ tng_data is the trajectory data container containing the block.
*block is a pointer to the block to rename.
*new_name is a string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_block_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_block_name(tng_trajectory_t tng_data,
struct tng_gen_block *block,
const char *new_name);
/* Add a molecule to the trajectory.
- *tng_data is a pointer to the trajectory containing the block.
+ tng_data is the trajectory data container containing the block.
*name is a pointer to the string containing the name of the new molecule.
**molecule is a pointer to a pointer to the newly created molecule.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_add_molecule(struct tng_trajectory *tng_data,
+tng_function_status tng_add_molecule(tng_trajectory_t tng_data,
const char *name,
struct tng_molecule **molecule);
/* Set the name of a molecule.
- *tng_data is a pointer to the trajectory containing the molecule.
+ tng_data is the trajectory data container containing the molecule.
*molecule is a pointer to the molecule to rename.
*new_name is a string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_molecule_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_molecule_name(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
const char *new_name);
/* Set the count of a molecule.
- *tng_data is a pointer to the trajectory containing the molecule.
+ tng_data is the trajectory data container containing the molecule.
*molecule is a pointer to the molecule to rename.
*cnt is a pointer to the variable to be populated with the count.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_get_molecule_cnt(struct tng_trajectory *tng_data,
+tng_function_status tng_get_molecule_cnt(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
int64_t *cnt);
/* Set the count of a molecule.
- *tng_data is a pointer to the trajectory containing the molecule.
+ tng_data is the trajectory data container containing the molecule.
*molecule is a pointer to the molecule to rename.
cnt is the number of instances of this molecule.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_molecule_cnt(struct tng_trajectory *tng_data,
+tng_function_status tng_set_molecule_cnt(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
int64_t cnt);
/* Add a chain to a molecule.
- *tng_data is a pointer to the trajectory containing the molecule.
+ tng_data is the trajectory data container containing the molecule.
*molecule is a pointer to the molecule to add a chain to.
*name is a pointer to a string containing the name of the chain.
**chain is a pointer to a pointer to the newly created chain.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_add_chain_to_molecule(struct tng_trajectory *tng_data,
+tng_function_status tng_add_chain_to_molecule(tng_trajectory_t tng_data,
struct tng_molecule *molecule,
const char *name,
struct tng_chain **chain);
/* Set the name of a chain.
- *tng_data is a pointer to the trajectory containing the atom.
+ tng_data is the trajectory data container containing the atom.
*chain is a pointer to the chain to rename.
*new_name is a string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_chain_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_chain_name(tng_trajectory_t tng_data,
struct tng_chain *chain,
const char *new_name);
/* Add a residue to a chain.
- *tng_data is a pointer to the trajectory containing the chain.
+ tng_data is the trajectory data container containing the chain.
*chain is a pointer to the chain to add a residue to.
*name is a pointer to a string containing the name of the residue.
**residue is a pointer to a pointer to the newly created residue.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_add_residue_to_chain(struct tng_trajectory *tng_data,
+tng_function_status tng_add_residue_to_chain(tng_trajectory_t tng_data,
struct tng_chain *chain,
const char *name,
struct tng_residue **residue);
/* Set the name of a residue.
- *tng_data is a pointer to the trajectory containing the atom.
+ tng_data is the trajectory data container containing the residue.
*residue is a pointer to the residue to rename.
*new_name is a string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_residue_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_residue_name(tng_trajectory_t tng_data,
struct tng_residue *residue,
const char *new_name);
@@ -535,57 +538,57 @@ tng_function_status tng_set_residue_name(struct tng_trajectory *tng_data,
**atom is a pointer to a pointer to the newly created atom.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_add_atom_to_residue(struct tng_trajectory *tng_data,
+tng_function_status tng_add_atom_to_residue(tng_trajectory_t tng_data,
struct tng_residue *residue,
const char *atom_name,
const char *atom_type,
struct tng_atom **atom);
/* Set the name of an atom.
- *tng_data is a pointer to the trajectory containing the atom.
+ tng_data is the trajectory data container containing the atom.
*atom is a pointer to the atom to rename.
*new_name is a string containing the wanted name.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_atom_name(struct tng_trajectory *tng_data,
+tng_function_status tng_set_atom_name(tng_trajectory_t tng_data,
struct tng_atom *atom,
const char *new_name);
/* Set the atom type of an atom.
- *tng_data is a pointer to the trajectory containing the atom.
+ tng_data is the trajectory data container containing the atom.
*atom is a pointer to the atom to change.
*new_name is a string containing the atom type.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_set_atom_type(struct tng_trajectory *tng_data,
+tng_function_status tng_set_atom_type(tng_trajectory_t tng_data,
struct tng_atom *atom,
const char *new_type);
/* Read the header blocks from the input_file of tng_data.
The trajectory blocks must be read separately and iteratively in chunks
to fit in memory.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_file_headers(struct tng_trajectory *tng_data,
+tng_function_status tng_read_file_headers(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
/* Write the header blocks to the output_file of tng_data.
The trajectory blocks must be written separately and iteratively in chunks
to fit in memory.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (output_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_file_headers(struct tng_trajectory *tng_data,
+tng_function_status tng_write_file_headers(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
/* Read one (the next) block (of any kind) from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
*block_data is a pointer to the struct which will be populated with the
data. If block_data->input_file_pos > 0 it is the position from where the reading
@@ -593,49 +596,36 @@ tng_function_status tng_write_file_headers(struct tng_trajectory *tng_data,
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor
error has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_next_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_block(tng_trajectory_t tng_data,
struct tng_gen_block *block_data,
tng_close_file_flag close_file);
-/* Write one block (of any kind) to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
- file to read from. If the file (output_file) is not open it will be opened.
- *block_data is a pointer to the struct containing the
- data. If block_data->output_file_pos > 0 it is the position from where the writing
- starts otherwise it starts from the current position.
- If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after writing the data.
- Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
- has occurred or TRG_CRITICAL (2) if a major error has occured. */
-// tng_function_status tng_write_block(struct tng_trajectory *tng_data,
-// struct tng_gen_block *block_data,
-// tng_close_file_flag close_file);
-
/* Read one (the next) frame set, including toc, mapping and related data blocks
from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_next_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_frame_set(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
/* Write one (the next) frame set, including toc, mapping and related data blocks
to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (output_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_set(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
-tng_function_status tng_new_frame_set(struct tng_trajectory *tng_data,
+tng_function_status tng_new_frame_set(tng_trajectory_t tng_data,
const int64_t first_frame,
const int64_t n_frames);
-tng_function_status tng_add_particle_data_block(struct tng_trajectory *tng_data,
+tng_function_status tng_add_particle_data_block(tng_trajectory_t tng_data,
const int64_t id,
const char *block_name,
const char datatype,
@@ -649,109 +639,109 @@ tng_function_status tng_add_particle_data_block(struct tng_trajectory *tng_data,
/* Read one (the next) trajectory block from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_next_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_next_traj_block(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
/* Write one (the next) trajectory block to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (output_file) is not open it will be opened.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_next_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_write_next_traj_block(tng_trajectory_t tng_data,
tng_close_file_flag close_file);
/* Read one trajectory block from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
block_id is the ID of the block to read.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_read_traj_block(tng_trajectory_t tng_data,
int64_t block_id,
tng_close_file_flag close_file);
/* Write one trajectory block to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (output_file) is not open it will be opened.
block_id is the ID of the block to write.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_traj_block(struct tng_trajectory *tng_data,
+tng_function_status tng_write_traj_block(tng_trajectory_t tng_data,
int64_t block_id,
tng_close_file_flag close_file);
/* Read a requested frame set.
- *tng_data is a pointer to trajectory data. tng_data->current_trajectory_frame_set
+ tng_data is a trajectory data container. tng_data->current_trajectory_frame_set
will be the read frame set.
frame_set_nr is the number of the frame set to return (starting from 0).
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_frame_set_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_set_nr(tng_trajectory_t tng_data,
int64_t frame_set_nr);
/* Read one trajectory frame from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
frame_nr is the index number of the frame to read.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_frame_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_nr(tng_trajectory_t tng_data,
int64_t frame_nr,
tng_close_file_flag close_file);
/* Write one trajectory frame to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (output_file) is not open it will be opened.
frame_nr is the index number of the frame to write.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_frame_nr(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_nr(tng_trajectory_t tng_data,
int64_t frame_nr,
tng_close_file_flag close_file);
/* Read a number of consecutive trajectory frames from the input_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->input_file_path specifies which
+ tng_data is a trajectory data container. tng_data->input_file_path specifies which
file to read from. If the file (input_file) is not open it will be opened.
start_frame_nr is the index number of the first frame to read.
end_frame_nr is the index number of the last frame to read.
If close_file == TRG_CLOSE_FILE (1) the input_file will be closed after reading the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_read_frame_nrs(struct tng_trajectory *tng_data,
+tng_function_status tng_read_frame_nrs(tng_trajectory_t tng_data,
int64_t start_frame_nr,
int64_t end_frame_nr,
tng_close_file_flag close_file);
/* Write a number of consecutive trajectory frames to the output_file of tng_data.
- *tng_data is a pointer to trajectory data. tng_data->output_file_path specifies which
+ tng_data is a trajectory data container. tng_data->output_file_path specifies which
file to write to. If the file (input_file) is not open it will be opened.
start_frame_nr is the index number of the first frame to write.
end_frame_nr is the index number of the last frame to write.
If close_file == TRG_CLOSE_FILE (1) the output_file will be closed after writing the data.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_write_frame_nrs(struct tng_trajectory *tng_data,
+tng_function_status tng_write_frame_nrs(tng_trajectory_t tng_data,
int64_t start_frame_nr,
int64_t end_frame_nr,
tng_close_file_flag close_file);
/* Get the date and time of initial file creation in ISO format (string).
- *tng_data is a pointer to trajectory data.
+ tng_data is a trajectory data container.
*time is a pointer to the string in which the date will be stored. Memory
must be reserved beforehand.
Returns TRG_SUCCESS (0) if successful, TRG_FAILURE (1) if a minor error
has occurred or TRG_CRITICAL (2) if a major error has occured. */
-tng_function_status tng_get_time_str(struct tng_trajectory *tng_data, char *time);
+tng_function_status tng_get_time_str(tng_trajectory_t tng_data, char *time);
#ifdef __cplusplus
} /* end extern "C" */
diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c
index 85a7294..6bd9faa 100644
--- a/src/tests/tng_io_testing.c
+++ b/src/tests/tng_io_testing.c
@@ -6,7 +6,7 @@
-static tng_function_status tng_setup_test_molecules(struct tng_trajectory *traj)
+static tng_function_status tng_setup_test_molecules(tng_trajectory_t traj)
{
struct tng_molecule *molecule;
struct tng_chain *chain;
@@ -95,7 +95,7 @@ static tng_function_status tng_setup_test_molecules(struct tng_trajectory *traj)
}
static tng_function_status tng_test_read_and_write_file
- (struct tng_trajectory *traj)
+ (tng_trajectory_t traj)
{
tng_function_status stat;
@@ -124,7 +124,7 @@ static tng_function_status tng_test_read_and_write_file
return(stat);
}
-static tng_function_status tng_test_write_and_read_traj(struct tng_trajectory *traj)
+static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj)
{
int i, j, k, nr, tot_n_mols, cnt;
float *data, *molpos;
contact: Jan Huwald // Impressum