diff options
Diffstat (limited to 'src/lib/tng_io.h')
| -rw-r--r-- | src/lib/tng_io.h | 308 |
1 files changed, 154 insertions, 154 deletions
diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h index f7d6999..9ee49b7 100644 --- a/src/lib/tng_io.h +++ b/src/lib/tng_io.h @@ -1,34 +1,34 @@ -#ifndef _TRGIO_H -#define _TRGIO_H 1 +#ifndef _TNGIO_H +#define _TNGIO_H 1 #include <stdio.h> #include <inttypes.h> -#define TRG_VERSION 1 +#define TNG_VERSION 1 -#define TRG_UNCOMPRESSED 0ULL -#define TRG_XTC 1ULL -#define TRG_TNG_POSITIONS 2ULL -#define TRG_TNG_VELOCITIES 3ULL -#define TRG_TNG_FORCES 4ULL +#define TNG_UNCOMPRESSED 0ULL +#define TNG_XTC 1ULL +#define TNG_TNG_POSITIONS 2ULL +#define TNG_TNG_VELOCITIES 3ULL +#define TNG_TNG_FORCES 4ULL -#define TRG_PARTICLE_DEPENDENT 1 -#define TRG_FRAME_DEPENDENT 2 +#define TNG_PARTICLE_DEPENDENT 1 +#define TNG_FRAME_DEPENDENT 2 -// #define TRG_MAX_BLOCK_PARTICLES 1000 -#define TRG_MAX_DATE_STR_LEN 24 -#define TRG_HASH_LEN 16 -#define TRG_MAX_STR_LEN 1024 +// #define TNG_MAX_BLOCK_PARTICLES 1000 +#define TNG_MAX_DATE_STR_LEN 24 +#define TNG_HASH_LEN 16 +#define TNG_MAX_STR_LEN 1024 -typedef enum {TRG_BIG_ENDIAN_32, - TRG_LITTLE_ENDIAN_32, - TRG_BYTE_PAIR_SWAP_32} tng_endianness_32; +typedef enum {TNG_BIG_ENDIAN_32, + TNG_LITTLE_ENDIAN_32, + TNG_BYTE_PAIR_SWAP_32} tng_endianness_32; -typedef enum {TRG_BIG_ENDIAN_64, - TRG_LITTLE_ENDIAN_64, - TRG_QUAD_SWAP_64, - TRG_BYTE_PAIR_SWAP_64, - TRG_BYTE_SWAP_64} tng_endianness_64; +typedef enum {TNG_BIG_ENDIAN_64, + TNG_LITTLE_ENDIAN_64, + TNG_QUAD_SWAP_64, + TNG_BYTE_PAIR_SWAP_64, + TNG_BYTE_SWAP_64} tng_endianness_64; #define min(a,b) \ @@ -41,44 +41,44 @@ typedef enum {TRG_BIG_ENDIAN_64, __typeof__ (b) _b = (b); \ _a > _b ? _a : _b; }) -typedef enum {TRG_NON_TRAJECTORY_BLOCK, TRG_TRAJECTORY_BLOCK} tng_block_type; +typedef enum {TNG_NON_TRAJECTORY_BLOCK, TNG_TRAJECTORY_BLOCK} tng_block_type; -typedef enum {TRG_ENDIANNESS_AND_STRING_LENGTH, - TRG_GENERAL_INFO, - TRG_MOLECULES, - TRG_TRAJECTORY_IDS_AND_NAMES, - TRG_TRAJECTORY_FRAME_SET, - TRG_BLOCK_TABLE_OF_CONTENTS, - TRG_PARTICLE_MAPPING} tng_non_trajectory_block_ids; +typedef enum {TNG_ENDIANNESS_AND_STRING_LENGTH, + TNG_GENERAL_INFO, + TNG_MOLECULES, + TNG_TRAJECTORY_IDS_AND_NAMES, + TNG_TRAJECTORY_FRAME_SET, + TNG_BLOCK_TABLE_OF_CONTENTS, + TNG_PARTICLE_MAPPING} tng_non_trajectory_block_ids; -typedef enum {TRG_TRAJ_BOX_SHAPE = 10000, - TRG_TRAJ_POSITIONS, - TRG_TRAJ_VELOCITIES, - TRG_TRAJ_FORCES} tng_trajectory_block_ids; +typedef enum {TNG_TRAJ_BOX_SHAPE = 10000, + TNG_TRAJ_POSITIONS, + TNG_TRAJ_VELOCITIES, + TNG_TRAJ_FORCES} tng_trajectory_block_ids; -typedef enum {TRG_NON_PARTICLE_BLOCK_DATA, - TRG_PARTICLE_BLOCK_DATA} tng_particle_block_data; +typedef enum {TNG_NON_PARTICLE_BLOCK_DATA, + TNG_PARTICLE_BLOCK_DATA} tng_particle_block_data; -/*typedef enum {TRG_NO_HASH, TRG_OTHER_HASH, - TRG_MD5_HASH, TRG_MD6_HASH, - TRG_SHA0_HASH, TRG_SHA1_HASH, - TRG_SHA256_HASH, TRG_SHA512_HASH} tng_hash_type;*/ +/*typedef enum {TNG_NO_HASH, TNG_OTHER_HASH, + TNG_MD5_HASH, TNG_MD6_HASH, + TNG_SHA0_HASH, TNG_SHA1_HASH, + TNG_SHA256_HASH, TNG_SHA512_HASH} tng_hash_type;*/ typedef enum {FALSE, TRUE} tng_bool; -typedef enum {TRG_KEEP_FILE_OPEN, TRG_CLOSE_FILE} tng_close_file_flag; +typedef enum {TNG_KEEP_FILE_OPEN, TNG_CLOSE_FILE} tng_close_file_flag; -typedef enum {TRG_CONSTANT_N_ATOMS, TRG_VARIABLE_N_ATOMS} tng_variable_n_atoms_flag; +typedef enum {TNG_CONSTANT_N_ATOMS, TNG_VARIABLE_N_ATOMS} tng_variable_n_atoms_flag; -typedef enum {TRG_SUCCESS, TRG_FAILURE, TRG_CRITICAL} tng_function_status; +typedef enum {TNG_SUCCESS, TNG_FAILURE, TNG_CRITICAL} tng_function_status; -typedef enum {TRG_NORMAL_WRITE, TRG_COPY_EXISTING} write_mode; +typedef enum {TNG_NORMAL_WRITE, TNG_COPY_EXISTING} write_mode; -typedef enum {TRG_CHAR_DATA, - TRG_INT_DATA, - TRG_FLOAT_DATA, - TRG_DOUBLE_DATA} tng_data_type; +typedef enum {TNG_CHAR_DATA, + TNG_INT_DATA, + TNG_FLOAT_DATA, + TNG_DOUBLE_DATA} tng_data_type; @@ -142,7 +142,7 @@ struct tng_gen_block { int64_t header_contents_size; /* The size of the block header in bytes */ int64_t block_contents_size; /* The size of the block contents in bytes */ int64_t id; /* The ID of the block to determine its type */ - char hash[TRG_HASH_LEN]; /* The MD5 hash of the block to verify integrity */ + char hash[TNG_HASH_LEN]; /* The MD5 hash of the block to verify integrity */ char *name; /* The name of the block */ int64_t block_version; /* The library version used to write the block */ char *header_contents; /* The full block header contents */ @@ -347,185 +347,185 @@ struct tng_trajectory { /* Setup a trajectory data container. *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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. *tng_data is a pointer to pre-allocated memory containing trajectory 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. *tng_data is a pointer to pre-allocated memory containing trajectory 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. *tng_data is a pointer to pre-allocated memory containing trajectory 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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. *tng_data is a pointer to pre-allocated memory containing trajectory 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_set_computer_name(tng_trajectory_t tng_data, const char *new_name); /* Set the pgp_signature of the trajectory. *tng_data is a pointer to pre-allocated memory containing trajectory 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_set_signature(tng_trajectory_t tng_data, const char *signature); /* Setup a molecule container. *molecule 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_init_molecule(struct tng_molecule *molecule); /* Clean up a molecule container. *molecule is a pointer to pre-allocated memory containing a molecule. 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_destroy_molecule(struct tng_molecule *molecule); /* Setup a data block. *block 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_init_block(struct tng_gen_block *block); /* Clean up a data block. *block is a pointer to pre-allocated memory. 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_destroy_block(struct tng_gen_block *block); /* Set the name of a data block. - tng_data is the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container containing the residue. + tng_data is the trajectory data container containing the residue.due. *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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_set_residue_name(tng_trajectory_t tng_data, struct tng_residue *residue, const char *new_name); @@ -536,8 +536,8 @@ tng_function_status tng_set_residue_name(tng_trajectory_t tng_data, *atom_name is a pointer to a string containing the name of the atom. *atom_type is a pointer to a string containing the atom type of the atom. **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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_add_atom_to_residue(tng_trajectory_t tng_data, struct tng_residue *residue, const char *atom_name, @@ -545,21 +545,21 @@ tng_function_status tng_add_atom_to_residue(tng_trajectory_t tng_data, struct tng_atom **atom); /* Set the name of an atom. - tng_data is the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 the trajectory data container 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_set_atom_type(tng_trajectory_t tng_data, struct tng_atom *atom, const char *new_type); @@ -569,9 +569,9 @@ tng_function_status tng_set_atom_type(tng_trajectory_t tng_data, to fit in memory. 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_file_headers(tng_trajectory_t tng_data, tng_close_file_flag close_file); @@ -580,9 +580,9 @@ tng_function_status tng_read_file_headers(tng_trajectory_t tng_data, to fit in memory. 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_file_headers(tng_trajectory_t tng_data, tng_close_file_flag close_file); @@ -593,9 +593,9 @@ tng_function_status tng_write_file_headers(tng_trajectory_t tng_data, *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 starts otherwise it starts from the current position. - 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor + error has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_next_block(tng_trajectory_t tng_data, struct tng_gen_block *block_data, tng_close_file_flag close_file); @@ -605,9 +605,9 @@ tng_function_status tng_read_next_block(tng_trajectory_t tng_data, from the input_file of tng_data. 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_next_frame_set(tng_trajectory_t tng_data, tng_close_file_flag close_file); @@ -615,9 +615,9 @@ tng_function_status tng_read_next_frame_set(tng_trajectory_t tng_data, to the output_file of tng_data. 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_frame_set(tng_trajectory_t tng_data, tng_close_file_flag close_file); @@ -641,18 +641,18 @@ tng_function_status tng_add_particle_data_block(tng_trajectory_t tng_data, /* Read one (the next) trajectory block from the input_file of tng_data. 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ 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 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_next_traj_block(tng_trajectory_t tng_data, tng_close_file_flag close_file); @@ -660,9 +660,9 @@ tng_function_status tng_write_next_traj_block(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_traj_block(tng_trajectory_t tng_data, int64_t block_id, tng_close_file_flag close_file); @@ -671,9 +671,9 @@ tng_function_status tng_read_traj_block(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_traj_block(tng_trajectory_t tng_data, int64_t block_id, tng_close_file_flag close_file); @@ -682,8 +682,8 @@ tng_function_status tng_write_traj_block(tng_trajectory_t tng_data, 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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_frame_set_nr(tng_trajectory_t tng_data, int64_t frame_set_nr); @@ -691,9 +691,9 @@ tng_function_status tng_read_frame_set_nr(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_frame_nr(tng_trajectory_t tng_data, int64_t frame_nr, tng_close_file_flag close_file); @@ -702,9 +702,9 @@ tng_function_status tng_read_frame_nr(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_frame_nr(tng_trajectory_t tng_data, int64_t frame_nr, tng_close_file_flag close_file); @@ -714,9 +714,9 @@ tng_function_status tng_write_frame_nr(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the input_file will be closed after reading the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_read_frame_nrs(tng_trajectory_t tng_data, int64_t start_frame_nr, int64_t end_frame_nr, @@ -727,9 +727,9 @@ tng_function_status tng_read_frame_nrs(tng_trajectory_t tng_data, 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. */ + If close_file == TNG_CLOSE_FILE (1) the output_file will be closed after writing the data. + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_write_frame_nrs(tng_trajectory_t tng_data, int64_t start_frame_nr, int64_t end_frame_nr, @@ -739,12 +739,12 @@ tng_function_status tng_write_frame_nrs(tng_trajectory_t tng_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. */ + Returns TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + has occurred or TNG_CRITICAL (2) if a major error has occured. */ tng_function_status tng_get_time_str(tng_trajectory_t tng_data, char *time); #ifdef __cplusplus } /* end extern "C" */ #endif -#endif /* _TRGIO_H */
\ No newline at end of file +#endif /* _TNGIO_H */
\ No newline at end of file |