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37 #ifndef GMX_FILEIO_GROIO_H
38 #define GMX_FILEIO_GROIO_H
42 #include "gromacs/math/vectypes.h"
43 #include "gromacs/utility/basedefinitions.h"
50 void get_coordnum(const char* infile, int* natoms);
51 void gmx_gro_read_conf(const char* infile, t_symtab* symtab, char** name, t_atoms* atoms, rvec x[], rvec* v, matrix box);
52 /* If name is not nullptr, gmx_strdup the title string into it. */
54 gmx_bool gro_next_x_or_v(FILE* status, struct t_trxframe* fr);
55 int gro_first_x_or_v(FILE* status, struct t_trxframe* fr);
56 /* read first/next x and/or v frame from gro file */
58 void write_hconf_indexed_p(FILE* out,
67 void write_hconf_mtop(FILE* out, const char* title, const gmx_mtop_t* mtop, const rvec* x, const rvec* v, const matrix box);
69 void write_hconf_p(FILE* out, const char* title, const t_atoms* atoms, const rvec* x, const rvec* v, const matrix box);
70 /* Write a Gromos file with precision ndec: number of decimal places in x,
71 * v has one place more. */
73 void write_conf_p(const char* outfile,