diff options
Diffstat (limited to 'include')
| -rw-r--r-- | include/compression/tng_compress.h | 68 | ||||
| -rw-r--r-- | include/compression/tng_compress_testing.h.in | 6 | ||||
| -rw-r--r-- | include/md5.h | 26 | ||||
| -rw-r--r-- | include/tng_io.h | 184 |
4 files changed, 186 insertions, 98 deletions
diff --git a/include/compression/tng_compress.h b/include/compression/tng_compress.h index eefcfaa..0858952 100644 --- a/include/compression/tng_compress.h +++ b/include/compression/tng_compress.h @@ -19,11 +19,13 @@ #endif /* win32... */ #endif /* not defined USE_WINDOWS */ +#ifndef DECLSPECDLLEXPORT #ifdef USE_WINDOWS #define DECLSPECDLLEXPORT __declspec(dllexport) -#else +#else /* USE_WINDOWS */ #define DECLSPECDLLEXPORT -#endif +#endif /* USE_WINDOWS */ +#endif /* DECLSPECDLLEXPORT */ #ifdef __cplusplus extern "C" { @@ -52,7 +54,16 @@ char DECLSPECDLLEXPORT *tng_compress_pos(double *pos, int natoms, int nframes, double desired_precision, int speed, int *algo, int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_pos_float(float *pos, int natoms, int nframes, + float desired_precision, + int speed, int *algo, + int *nitems); +char DECLSPECDLLEXPORT *tng_compress_pos_int(int *pos, int natoms, int nframes, + unsigned long prec_hi, unsigned long prec_lo, + int speed,int *algo, + int *nitems); /* The tng_compress_pos_find_algo works the same as tng_compress_pos, but it performs benchmarking to find the algorithms with the best @@ -84,6 +95,17 @@ char DECLSPECDLLEXPORT *tng_compress_pos_find_algo(double *pos, int natoms, int int speed, int *algo, int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_pos_float_find_algo(float *pos, int natoms, int nframes, + float desired_precision, + int speed, + int *algo, + int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_pos_int_find_algo(int *pos, int natoms, int nframes, + unsigned long prec_hi, unsigned long prec_lo, + int speed,int *algo, + int *nitems); /* This returns the number of integers required for the storage of the algorithm with the best compression ratio. */ @@ -98,6 +120,16 @@ char DECLSPECDLLEXPORT *tng_compress_vel(double *vel, int natoms, int nframes, double desired_precision, int speed, int *algo, int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_vel_float(float *vel, int natoms, int nframes, + float desired_precision, + int speed, int *algo, + int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_vel_int(int *vel, int natoms, int nframes, + unsigned long prec_hi, unsigned long prec_lo, + int speed, int *algo, + int *nitems); char DECLSPECDLLEXPORT *tng_compress_vel_find_algo(double *vel, int natoms, int nframes, double desired_precision, @@ -105,6 +137,18 @@ char DECLSPECDLLEXPORT *tng_compress_vel_find_algo(double *vel, int natoms, int int *algo, int *nitems); +char DECLSPECDLLEXPORT *tng_compress_vel_float_find_algo(float *vel, int natoms, int nframes, + float desired_precision, + int speed, + int *algo, + int *nitems); + +char DECLSPECDLLEXPORT *tng_compress_vel_int_find_algo(int *vel, int natoms, int nframes, + unsigned long prec_hi, unsigned long prec_lo, + int speed, + int *algo, + int *nitems); + /* From a compressed block, obtain information about whether it is a position or velocity block: *vel=1 means velocity block, *vel=0 means position block. @@ -120,11 +164,25 @@ int DECLSPECDLLEXPORT tng_compress_inquire(char *data,int *vel, int *natoms, */ int DECLSPECDLLEXPORT tng_compress_uncompress(char *data,double *posvel); +int DECLSPECDLLEXPORT tng_compress_uncompress_float(char *data,float *posvel); + +int DECLSPECDLLEXPORT tng_compress_uncompress_int(char *data,int *posvel, unsigned long *prec_hi, unsigned long *prec_lo); - /* Compression algorithms (matching the original trajng - assignments) The compression backends require that some of the - algorithms must have the same value. */ +/* This converts a block of integers, as obtained from tng_compress_uncompress_int, to floating point values + either double precision or single precision. */ +void DECLSPECDLLEXPORT tng_compress_int_to_double(int *posvel_int,unsigned long prec_hi, unsigned long prec_lo, + int natoms,int nframes, + double *posvel_double); +void DECLSPECDLLEXPORT tng_compress_int_to_float(int *posvel_int,unsigned long prec_hi, unsigned long prec_lo, + int natoms,int nframes, + float *posvel_float); + + +/* Compression algorithms (matching the original trajng + assignments) The compression backends require that some of the + algorithms must have the same value. */ + #define TNG_COMPRESS_ALGO_STOPBIT 1 #define TNG_COMPRESS_ALGO_TRIPLET 2 #define TNG_COMPRESS_ALGO_BWLZH1 8 diff --git a/include/compression/tng_compress_testing.h.in b/include/compression/tng_compress_testing.h.in new file mode 100644 index 0000000..168764b --- /dev/null +++ b/include/compression/tng_compress_testing.h.in @@ -0,0 +1,6 @@ +#ifndef TNG_COMPRESS_TESTING_H +#define TNG_COMPRESS_TESTING_H + +#define TNG_COMPRESS_FILES_DIR "@TNG_COMPRESS_FILES_DIR@" + +#endif diff --git a/include/md5.h b/include/md5.h index 3652594..d618489 100644 --- a/include/md5.h +++ b/include/md5.h @@ -49,12 +49,6 @@ #ifndef md5_INCLUDED # define md5_INCLUDED -#ifndef USE_WINDOWS -#if defined(WIN32) || defined(_WIN32) || defined(WIN64) || defined(_WIN64) -#define USE_WINDOWS -#endif /* win32... */ -#endif /* not defined USE_WINDOWS */ - /* * This package supports both compile-time and run-time determination of CPU * byte order. If ARCH_IS_BIG_ENDIAN is defined as 0, the code will be @@ -80,14 +74,28 @@ extern "C" { #endif +#ifndef USE_WINDOWS +#if defined(WIN32) || defined(_WIN32) || defined(WIN64) || defined(_WIN64) +#define USE_WINDOWS +#endif /* win32... */ +#endif /* not defined USE_WINDOWS */ + +#ifndef DECLSPECDLLEXPORT +#ifdef USE_WINDOWS +#define DECLSPECDLLEXPORT __declspec(dllexport) +#else /* USE_WINDOWS */ +#define DECLSPECDLLEXPORT +#endif /* USE_WINDOWS */ +#endif /* DECLSPECDLLEXPORT */ + /* Initialize the algorithm. */ -void md5_init(md5_state_t *pms); +void DECLSPECDLLEXPORT tng_md5_init(md5_state_t *pms); /* Append a string to the message. */ -void md5_append(md5_state_t *pms, const md5_byte_t *data, int nbytes); +void DECLSPECDLLEXPORT tng_md5_append(md5_state_t *pms, const md5_byte_t *data, int nbytes); /* Finish the message and return the digest. */ -void md5_finish(md5_state_t *pms, md5_byte_t digest[16]); +void DECLSPECDLLEXPORT tng_md5_finish(md5_state_t *pms, md5_byte_t digest[16]); #ifdef __cplusplus } /* end extern "C" */ diff --git a/include/tng_io.h b/include/tng_io.h index aa845e2..f2ae1c9 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -334,6 +334,21 @@ typedef unsigned long long int uint64_t; #endif +#ifndef USE_WINDOWS +#if defined(WIN32) || defined(_WIN32) || defined(WIN64) || defined(_WIN64) +#define USE_WINDOWS +#endif /* win32... */ +#endif /* not defined USE_WINDOWS */ + +#ifndef DECLSPECDLLEXPORT +#ifdef USE_WINDOWS +#define DECLSPECDLLEXPORT __declspec(dllexport) +#else /* USE_WINDOWS */ +#define DECLSPECDLLEXPORT +#endif /* USE_WINDOWS */ +#endif /* DECLSPECDLLEXPORT */ + + /** The version of this TNG build */ #define TNG_VERSION 2 @@ -349,7 +364,7 @@ typedef unsigned long long int uint64_t; /** The maximum allowed length of a string */ #define TNG_MAX_STR_LEN 1024 - +#if 0 /** Inline function for finding the lowest of two values */ #define tng_min(a,b) \ ({ __typeof__ (a) _a = (a); \ @@ -361,6 +376,7 @@ typedef unsigned long long int uint64_t; ({ __typeof__ (a) _a = (a); \ __typeof__ (b) _b = (b); \ _a > _b ? _a : _b; }) +#endif /** Flag to specify the endianness of a TNG file */ typedef enum {TNG_BIG_ENDIAN, @@ -575,7 +591,7 @@ tng_function_status tng_util_box_shape_write(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_trajectory_init(tng_trajectory_t *tng_data_p); +tng_function_status DECLSPECDLLEXPORT tng_trajectory_init(tng_trajectory_t *tng_data_p); /** * @brief Clean up a trajectory data container. @@ -584,7 +600,7 @@ tng_function_status tng_trajectory_init(tng_trajectory_t *tng_data_p); * tng_data_p itself. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_trajectory_destroy(tng_trajectory_t *tng_data_p); +tng_function_status DECLSPECDLLEXPORT tng_trajectory_destroy(tng_trajectory_t *tng_data_p); /** * @brief Copy a trajectory data container (dest is setup as well). @@ -598,7 +614,7 @@ tng_function_status tng_trajectory_destroy(tng_trajectory_t *tng_data_p); * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_trajectory_init_from_src(tng_trajectory_t src, +tng_function_status DECLSPECDLLEXPORT tng_trajectory_init_from_src(tng_trajectory_t src, tng_trajectory_t *dest_p); /** @@ -611,7 +627,7 @@ tng_function_status tng_trajectory_init_from_src(tng_trajectory_t src, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_input_file_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_input_file_get(const tng_trajectory_t tng_data, char *file_name, const int max_len); /** @@ -621,7 +637,7 @@ tng_function_status tng_input_file_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_input_file_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_input_file_set(tng_trajectory_t tng_data, const char *file_name); /** @@ -634,7 +650,7 @@ tng_function_status tng_input_file_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_output_file_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_output_file_get(const tng_trajectory_t tng_data, char *file_name, const int max_len); /** @@ -644,7 +660,7 @@ tng_function_status tng_output_file_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_output_file_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_output_file_set(tng_trajectory_t tng_data, const char *file_name); /** @@ -655,7 +671,7 @@ tng_function_status tng_output_file_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (1) if the endianness * could not be retrieved. */ -tng_function_status tng_output_file_endianness_get +tng_function_status DECLSPECDLLEXPORT tng_output_file_endianness_get (tng_trajectory_t tng_data, tng_file_endianness *endianness); /** @@ -668,7 +684,7 @@ tng_function_status tng_output_file_endianness_get * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (1) if the endianness * could not be set. */ -tng_function_status tng_output_file_endianness_set +tng_function_status DECLSPECDLLEXPORT tng_output_file_endianness_set (tng_trajectory_t tng_data, const tng_file_endianness endianness); @@ -682,7 +698,7 @@ tng_function_status tng_output_file_endianness_set * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_first_program_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_program_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -692,7 +708,7 @@ tng_function_status tng_first_program_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_first_program_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_program_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -705,7 +721,7 @@ tng_function_status tng_first_program_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_last_program_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_program_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -715,7 +731,7 @@ tng_function_status tng_last_program_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_last_program_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_program_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -728,7 +744,7 @@ tng_function_status tng_last_program_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_first_user_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_user_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -738,7 +754,7 @@ tng_function_status tng_first_user_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_first_user_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_user_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -751,7 +767,7 @@ tng_function_status tng_first_user_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_last_user_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_user_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -761,7 +777,7 @@ tng_function_status tng_last_user_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_last_user_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_user_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -774,7 +790,7 @@ tng_function_status tng_last_user_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_first_computer_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_computer_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -784,7 +800,7 @@ tng_function_status tng_first_computer_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_first_computer_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_computer_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -797,7 +813,7 @@ tng_function_status tng_first_computer_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_last_computer_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_computer_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -807,7 +823,7 @@ tng_function_status tng_last_computer_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_last_computer_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_computer_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -820,7 +836,7 @@ tng_function_status tng_last_computer_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_first_signature_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_signature_get(const tng_trajectory_t tng_data, char *signature, const int max_len); /** @@ -830,7 +846,7 @@ tng_function_status tng_first_signature_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_first_signature_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_first_signature_set(tng_trajectory_t tng_data, const char *signature); /** @@ -843,7 +859,7 @@ tng_function_status tng_first_signature_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_last_signature_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_signature_get(const tng_trajectory_t tng_data, char *signature, const int max_len); /** @@ -853,7 +869,7 @@ tng_function_status tng_last_signature_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_last_signature_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_last_signature_set(tng_trajectory_t tng_data, const char *signature); /** @@ -866,7 +882,7 @@ tng_function_status tng_last_signature_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (source string longer than destination string). */ -tng_function_status tng_forcefield_name_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_forcefield_name_get(const tng_trajectory_t tng_data, char *name, const int max_len); /** @@ -876,7 +892,7 @@ tng_function_status tng_forcefield_name_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_forcefield_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_forcefield_name_set(tng_trajectory_t tng_data, const char *new_name); /** @@ -885,7 +901,7 @@ tng_function_status tng_forcefield_name_set(tng_trajectory_t tng_data, * @param len is pointing to a value set to the stride length. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_medium_stride_length_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_medium_stride_length_get(const tng_trajectory_t tng_data, int64_t *len); /** @@ -895,7 +911,7 @@ tng_function_status tng_medium_stride_length_get(const tng_trajectory_t tng_data * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred. */ -tng_function_status tng_medium_stride_length_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_medium_stride_length_set(tng_trajectory_t tng_data, const int64_t len); /** @@ -904,7 +920,7 @@ tng_function_status tng_medium_stride_length_set(tng_trajectory_t tng_data, * @param len is pointing to a value set to the stride length. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_long_stride_length_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_get(const tng_trajectory_t tng_data, int64_t *len); /** @@ -914,7 +930,7 @@ tng_function_status tng_long_stride_length_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred. */ -tng_function_status tng_long_stride_length_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_set(tng_trajectory_t tng_data, const int64_t len); /** @@ -923,7 +939,7 @@ tng_function_status tng_long_stride_length_set(tng_trajectory_t tng_data, * @param len is pointing to a value set to the file length. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_input_file_len_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_input_file_len_get(const tng_trajectory_t tng_data, int64_t *len); /** @@ -933,7 +949,7 @@ tng_function_status tng_input_file_len_get(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred (could not find last frame set). */ -tng_function_status tng_num_frames_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_num_frames_get(const tng_trajectory_t tng_data, int64_t *n); /** @@ -944,7 +960,7 @@ tng_function_status tng_num_frames_get(const tng_trajectory_t tng_data, * the number of particles in the current frame set. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_num_particles_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_num_particles_get(const tng_trajectory_t tng_data, int64_t *n); /** @@ -955,7 +971,7 @@ tng_function_status tng_num_particles_get(const tng_trajectory_t tng_data, * the total number of molecules in the current frame set. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_num_molecules_get(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_num_molecules_get(const tng_trajectory_t tng_data, int64_t *n); /** @@ -965,7 +981,7 @@ tng_function_status tng_num_molecules_get(const tng_trajectory_t tng_data, * @param n is pointing to a value set to the number of frames per frame set. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_num_frames_per_frame_set_get +tng_function_status DECLSPECDLLEXPORT tng_num_frames_per_frame_set_get (const tng_trajectory_t tng_data, int64_t *n); @@ -979,7 +995,7 @@ tng_function_status tng_num_frames_per_frame_set_get * betfore creating any frame sets. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_num_frames_per_frame_set_set +tng_function_status DECLSPECDLLEXPORT tng_num_frames_per_frame_set_set (const tng_trajectory_t tng_data, const int64_t n); @@ -991,7 +1007,7 @@ tng_function_status tng_num_frames_per_frame_set_set * @return 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_num_frame_sets_get +tng_function_status DECLSPECDLLEXPORT tng_num_frame_sets_get (const tng_trajectory_t tng_data, int64_t *n); @@ -1002,7 +1018,7 @@ tng_function_status tng_num_frame_sets_get * the found frame set. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_current_frame_set_get +tng_function_status DECLSPECDLLEXPORT tng_current_frame_set_get (tng_trajectory_t tng_data, tng_trajectory_frame_set_t *frame_set_p); @@ -1015,7 +1031,7 @@ tng_function_status tng_current_frame_set_get * @return 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_frame_set_nr_find(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_set_nr_find(tng_trajectory_t tng_data, const int64_t nr); /** @@ -1027,7 +1043,7 @@ tng_function_status tng_frame_set_nr_find(tng_trajectory_t tng_data, * @return 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_frame_set_of_frame_find(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_set_of_frame_find(tng_trajectory_t tng_data, const int64_t frame); /** @@ -1038,7 +1054,7 @@ tng_function_status tng_frame_set_of_frame_find(tng_trajectory_t tng_data, * @param pos is pointing to a value set to the file position. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_frame_set_next_frame_set_file_pos_get +tng_function_status DECLSPECDLLEXPORT tng_frame_set_next_frame_set_file_pos_get (const tng_trajectory_t tng_data, const tng_trajectory_frame_set_t frame_set, int64_t *pos); @@ -1051,7 +1067,7 @@ tng_function_status tng_frame_set_next_frame_set_file_pos_get * @param pos is pointing to a value set to the file position. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_frame_set_prev_frame_set_file_pos_get +tng_function_status DECLSPECDLLEXPORT tng_frame_set_prev_frame_set_file_pos_get (const tng_trajectory_t tng_data, const tng_trajectory_frame_set_t frame_set, int64_t *pos); @@ -1064,7 +1080,7 @@ tng_function_status tng_frame_set_prev_frame_set_file_pos_get * @param last_frame is set to the last frame of the frame set. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_frame_set_frame_range_get +tng_function_status DECLSPECDLLEXPORT tng_frame_set_frame_range_get (const tng_trajectory_t tng_data, const tng_trajectory_frame_set_t frame_set, int64_t *first_frame, @@ -1077,7 +1093,7 @@ tng_function_status tng_frame_set_frame_range_get * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_molecule_init(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_init(const tng_trajectory_t tng_data, tng_molecule_t molecule); /** @@ -1089,7 +1105,7 @@ tng_function_status tng_molecule_init(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_molecule_destroy(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_destroy(const tng_trajectory_t tng_data, tng_molecule_t molecule); /** @@ -1100,7 +1116,7 @@ tng_function_status tng_molecule_destroy(const tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_molecule_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_add(tng_trajectory_t tng_data, const char *name, tng_molecule_t *molecule); @@ -1112,7 +1128,7 @@ tng_function_status tng_molecule_add(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_molecule_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_name_set(tng_trajectory_t tng_data, tng_molecule_t molecule, const char *new_name); @@ -1124,7 +1140,7 @@ tng_function_status tng_molecule_name_set(tng_trajectory_t tng_data, * @return 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_molecule_cnt_get(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_get(tng_trajectory_t tng_data, tng_molecule_t molecule, int64_t *cnt); @@ -1136,9 +1152,9 @@ tng_function_status tng_molecule_cnt_get(tng_trajectory_t tng_data, * @return 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_molecule_cnt_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_set(tng_trajectory_t tng_data, tng_molecule_t molecule, - int64_t cnt); + const int64_t cnt); /** * @brief Find a chain in a molecule. @@ -1154,7 +1170,7 @@ tng_function_status tng_molecule_cnt_set(tng_trajectory_t tng_data, * @details If name is an empty string and id is -1 the first chain will be * found. */ -tng_function_status tng_molecule_chain_find(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_find(tng_trajectory_t tng_data, tng_molecule_t molecule, const char *name, int64_t id, @@ -1169,7 +1185,7 @@ tng_function_status tng_molecule_chain_find(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_molecule_chain_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_add(tng_trajectory_t tng_data, tng_molecule_t molecule, const char *name, tng_chain_t *chain); @@ -1182,7 +1198,7 @@ tng_function_status tng_molecule_chain_add(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_chain_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_chain_name_set(tng_trajectory_t tng_data, tng_chain_t chain, const char *new_name); @@ -1196,7 +1212,7 @@ tng_function_status tng_chain_name_set(tng_trajectory_t tng_data, * residue is not found. * @details If name is an empty string the first residue will be found. */ -tng_function_status tng_chain_residue_find(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_chain_residue_find(tng_trajectory_t tng_data, tng_chain_t chain, const char *name, int64_t id, @@ -1211,7 +1227,7 @@ tng_function_status tng_chain_residue_find(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_chain_residue_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_chain_residue_add(tng_trajectory_t tng_data, tng_chain_t chain, const char *name, tng_residue_t *residue); @@ -1224,7 +1240,7 @@ tng_function_status tng_chain_residue_add(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_residue_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_residue_name_set(tng_trajectory_t tng_data, tng_residue_t residue, const char *new_name); @@ -1238,7 +1254,7 @@ tng_function_status tng_residue_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_residue_atom_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_residue_atom_add(tng_trajectory_t tng_data, tng_residue_t residue, const char *atom_name, const char *atom_type, @@ -1252,7 +1268,7 @@ tng_function_status tng_residue_atom_add(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_atom_name_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_atom_name_set(tng_trajectory_t tng_data, tng_atom_t atom, const char *new_name); @@ -1264,7 +1280,7 @@ tng_function_status tng_atom_name_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_atom_type_set(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_atom_type_set(tng_trajectory_t tng_data, tng_atom_t atom, const char *new_type); @@ -1278,7 +1294,7 @@ tng_function_status tng_atom_type_set(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (!) if a minor error * has occured. */ -tng_function_status tng_molecule_name_of_particle_nr_get +tng_function_status DECLSPECDLLEXPORT tng_molecule_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, @@ -1294,7 +1310,7 @@ tng_function_status tng_molecule_name_of_particle_nr_get * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (!) if a minor error * has occured. */ -tng_function_status tng_chain_name_of_particle_nr_get +tng_function_status DECLSPECDLLEXPORT tng_chain_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, @@ -1310,7 +1326,7 @@ tng_function_status tng_chain_name_of_particle_nr_get * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (!) if a minor error * has occured. */ -tng_function_status tng_residue_name_of_particle_nr_get +tng_function_status DECLSPECDLLEXPORT tng_residue_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, @@ -1326,7 +1342,7 @@ tng_function_status tng_residue_name_of_particle_nr_get * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (!) if a minor error * has occured. */ -tng_function_status tng_atom_name_of_particle_nr_get +tng_function_status DECLSPECDLLEXPORT tng_atom_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, @@ -1342,7 +1358,7 @@ tng_function_status tng_atom_name_of_particle_nr_get * @return TNG_SUCCESS (0) if successful or TNG_FAILURE (!) if a minor error * has occured. */ -tng_function_status tng_atom_type_of_particle_nr_get +tng_function_status DECLSPECDLLEXPORT tng_atom_type_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *type, @@ -1367,7 +1383,7 @@ tng_function_status tng_atom_type_of_particle_nr_get * @return 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_particle_mapping_add +tng_function_status DECLSPECDLLEXPORT tng_particle_mapping_add (tng_trajectory_t tng_data, const int64_t first_particle_number, const int64_t n_particles, @@ -1387,7 +1403,7 @@ tng_function_status tng_particle_mapping_add * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_file_headers_read(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_file_headers_read(tng_trajectory_t tng_data, const tng_hash_mode hash_mode); /** @@ -1403,7 +1419,7 @@ tng_function_status tng_file_headers_read(tng_trajectory_t tng_data, * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major * error has occured. */ -tng_function_status tng_file_headers_write(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_file_headers_write(tng_trajectory_t tng_data, const tng_hash_mode hash_mode); /** @@ -1422,7 +1438,7 @@ tng_function_status tng_file_headers_write(tng_trajectory_t tng_data, * @return 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_block_read_next(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_block_read_next(tng_trajectory_t tng_data, tng_gen_block_t block_data, const tng_hash_mode hash_mode); @@ -1439,7 +1455,7 @@ tng_function_status tng_block_read_next(tng_trajectory_t tng_data, * @return 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_frame_set_read_next(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next(tng_trajectory_t tng_data, const tng_hash_mode hash_mode); /** @@ -1454,7 +1470,7 @@ tng_function_status tng_frame_set_read_next(tng_trajectory_t tng_data, * @return 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_frame_set_write(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_set_write(tng_trajectory_t tng_data, const tng_hash_mode hash_mode); /** @@ -1466,7 +1482,7 @@ tng_function_status tng_frame_set_write(tng_trajectory_t tng_data, * @return 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_frame_set_new(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_set_new(tng_trajectory_t tng_data, const int64_t first_frame, const int64_t n_frames); @@ -1491,7 +1507,7 @@ tng_function_status tng_frame_set_new(tng_trajectory_t tng_data, * @return 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_data_block_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_data_block_add(tng_trajectory_t tng_data, const int64_t id, const char *block_name, const tng_data_type datatype, @@ -1526,7 +1542,7 @@ tng_function_status tng_data_block_add(tng_trajectory_t tng_data, * @return 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_particle_data_block_add(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add(tng_trajectory_t tng_data, const int64_t id, const char *block_name, const tng_data_type datatype, @@ -1554,7 +1570,7 @@ tng_function_status tng_particle_data_block_add(tng_trajectory_t tng_data, * @return 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_frame_data_write(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_data_write(tng_trajectory_t tng_data, const int64_t frame_nr, const int64_t block_id, const void *data, @@ -1579,7 +1595,7 @@ tng_function_status tng_frame_data_write(tng_trajectory_t tng_data, * @return 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_frame_particle_data_write(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write(tng_trajectory_t tng_data, const int64_t frame_nr, const int64_t block_id, const int64_t val_first_particle, @@ -1596,7 +1612,7 @@ tng_function_status tng_frame_particle_data_write(tng_trajectory_t tng_data, * @param type is the data type of the data in the array (e.g. int/float/char). * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_data_values_free(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_data_values_free(const tng_trajectory_t tng_data, union data_values **values, const int64_t n_frames, const int64_t n_values_per_frame, @@ -1612,7 +1628,7 @@ tng_function_status tng_data_values_free(const tng_trajectory_t tng_data, * @param type is the data type of the data in the array (e.g. int/float/char). * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_particle_data_values_free(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_particle_data_values_free(const tng_trajectory_t tng_data, union data_values ***values, const int64_t n_frames, const int64_t n_particles, @@ -1638,7 +1654,7 @@ tng_function_status tng_particle_data_values_free(const tng_trajectory_t tng_dat * @return 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_data_get(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_data_get(tng_trajectory_t tng_data, const int64_t block_id, union data_values ***values, int64_t *n_frames, @@ -1693,7 +1709,7 @@ tng_function_status tng_data_vector_get(tng_trajectory_t tng_data, * @return 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_data_interval_get(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_data_interval_get(tng_trajectory_t tng_data, const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, @@ -1726,7 +1742,7 @@ tng_function_status tng_data_interval_get(tng_trajectory_t tng_data, * @return 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_particle_data_get(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_particle_data_get(tng_trajectory_t tng_data, const int64_t block_id, union data_values ****values, int64_t *n_frames, @@ -1761,7 +1777,7 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, * @return 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_particle_data_interval_get(tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get(tng_trajectory_t tng_data, const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, @@ -1777,7 +1793,7 @@ tng_function_status tng_particle_data_interval_get(tng_trajectory_t tng_data, must be reserved beforehand. * @return TNG_SUCCESS (0) if successful. */ -tng_function_status tng_time_get_str(const tng_trajectory_t tng_data, +tng_function_status DECLSPECDLLEXPORT tng_time_get_str(const tng_trajectory_t tng_data, char *time); |