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/*
Copyright (C) 2003 by Sean David Fleming
sean@ivec.org
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
The GNU GPL can also be found at http://www.gnu.org
*/
#ifdef __WIN32
#define DIR_SEP "\\"
#else
#define DIR_SEP "/"
#endif
#define KEYWORD_LEN 10
/* FORTRAN ugliness */
#define READ_RECORD fread(&sysenv.fortran_buffer, sizeof(int), 1, fp)
#define WRITE_RECORD fwrite(&sysenv.fortran_buffer, sizeof(int), 1, fp)
/* enumerated types for POV-Ray colour-style selection */
enum {HSV, /*Colour-wheel style red-green-blue */
REDWHITEBLUE /* Red-fades to white-fades to blue */
};
struct keyword_pak
{
gchar *label;
gint code;
};
extern struct keyword_pak keywords[];
/* main */
void file_init(void);
void file_free(void);
gint fgetline(FILE *, gchar *);
gchar *file_read_line(FILE *);
void file_skip_comment(gint);
gint set_path(const gchar *);
GSList *file_dir_list(const gchar *, gint);
GSList *file_dir_list_pattern(const gchar *, const gchar *);
struct file_pak *get_file_info(gpointer, gint);
void file_load(gchar *, struct model_pak *);
void file_save(void);
gint file_save_as(gchar *, struct model_pak *);
gchar *gun(const gchar *);
gchar *format_value_and_units(gchar *, gint);
gint file_extension_valid(const gchar *);
gchar *file_extension_get(const gchar *);
gint file_byte_size(const gchar *);
gchar *file_find_program(const gchar *);
/* dialog control */
void file_dialog(gchar *, gchar *, gint,
gpointer (gchar *, struct model_pak *), gint);
void file_load_dialog(void);
void file_save_dialog(void);
/* file writing routines */
gint write_arc(gchar *, struct model_pak *);
gint write_cif(gchar *, struct model_pak *);
gint write_fdf(gchar *, struct model_pak *);
gint write_gulp(gchar *, struct model_pak *);
gint write_gmf(gchar *, struct model_pak *);
gint write_planes(gchar *, struct model_pak *);
gint write_marvin(gchar *, struct model_pak *);
gint write_xml(gchar *, struct model_pak *);
gint write_xtl(gchar *, struct model_pak *);
gint write_xyz(gchar *, struct model_pak *);
gint write_gms(gchar *, struct model_pak *);
gint write_diffax(gchar *, struct model_pak *);
gint write_povray(gchar *, struct model_pak *);
gint write_pdb(gchar *, struct model_pak *);
gint write_gauss(gchar *, struct model_pak *);
gint write_cssr(gchar *, struct model_pak *);
gint write_dmol(gchar *, struct model_pak *);
gint write_dlpoly(gchar *, struct model_pak *);
gint write_bgf(gchar *, struct model_pak *);
gint write_cgf(gchar *, struct model_pak *);
gint write_dlp(gchar *, struct model_pak *);
gint write_gromacs(gchar *, struct model_pak *);
gint write_castep_cell(gchar *, struct model_pak *);
gint write_meta(gchar *, struct model_pak *);
void write_povray_colour_textures(FILE *, struct model_pak *, int);
void write_sfc_data(FILE *);
gint write_arc_header(FILE *, struct model_pak *);
gint write_arc_frame(FILE *, struct model_pak *);
gint write_trj_header(FILE *, struct model_pak *);
gint write_trj_frame(FILE *, struct model_pak *);
/* file reading routines */
gint read_arc(gchar *, struct model_pak *);
gint read_cif(gchar *, struct model_pak *);
gint read_fdf(gchar *, struct model_pak *);
gint read_gulp(gchar *, struct model_pak *);
gint read_gulp_output(gchar *, struct model_pak *);
gint read_gmf(gchar *, struct model_pak *);
gint read_planes(gchar *, struct model_pak *);
gint read_marvin(gchar *, struct model_pak *);
gint read_mvnout(gchar *, struct model_pak *);
gint read_sout(gchar *, struct model_pak *);
gint read_xml(gchar *, struct model_pak *);
gint read_xtl(gchar *, struct model_pak *);
gint read_xyz(gchar *, struct model_pak *);
gint read_using_babel(gchar *, struct model_pak *);
gint read_gms(gchar *, struct model_pak *);
gint read_gms_out(gchar *, struct model_pak *);
gint read_diffax(gchar *, struct model_pak *);
gint read_about(gchar *, struct model_pak *);
gint read_nw(gchar *, struct model_pak *);
gint read_nwout(gchar *, struct model_pak *);
gint read_pdb(gchar *, struct model_pak *);
gint read_castep_out(gchar *, struct model_pak *);
gint read_gauss(gchar *, struct model_pak *);
gint read_gauss_out(gchar *, struct model_pak *);
gint read_rietica(gchar *, struct model_pak *);
gint read_off(gchar *, struct model_pak *);
gint read_moldy(gchar *, struct model_pak *);
gint read_moldy_restart(gchar *, struct model_pak *);
gint read_cssr(gchar *, struct model_pak *);
gint read_cel(gchar *, struct model_pak *);
gint read_dmol(gchar *, struct model_pak *);
gint read_dlpoly(gchar *, struct model_pak *);
gint read_bgf(gchar *, struct model_pak *);
gint read_cgf(gchar *, struct model_pak *);
gint read_dlp(gchar *, struct model_pak *);
gint read_gromacs_gro(gchar *, struct model_pak *);
gint project_read(gchar *, struct model_pak *);
gint read_trj_header(FILE *, struct model_pak *);
gint read_trj_frame(FILE *, struct model_pak *, gint);
gint read_arc_frame(FILE *, struct model_pak *);
gint read_sout_frame(FILE *, struct model_pak *);
gint read_gms_out_frame(FILE *, struct model_pak *);
gint read_about_frame(FILE *, struct model_pak *);
gint read_nwout_frame(FILE *, struct model_pak *);
gint read_pdb_frame(FILE *, struct model_pak *);
gint read_castep_out_frame(FILE *, struct model_pak *);
gint read_gauss_out_frame(FILE *, struct model_pak *);
gint read_xyz_frame(FILE *, struct model_pak *);
gint read_dlpoly_frame(FILE *, struct model_pak *);
gint read_dmol_frame(FILE *, struct model_pak *);
gint load_planes(gchar *, struct model_pak *);
gint mark_trj_frames(struct model_pak *);
void import_planes(gchar *);
void swap_bytes(void *, const gint);
void gdis_blurb(FILE *);
/* parsing */
void capitals(gchar *, gchar *);
gchar **get_tokenized_line(FILE *, gint *);
gint get_keyword_code(const gchar *);
gint read_frame(FILE *, gint, struct model_pak *);
gint read_raw_frame(FILE *, gint, struct model_pak *);
gint add_frame_offset(FILE *, struct model_pak *);
gint hash_strcmp(gconstpointer, gconstpointer);
GSList *fdf_species_build(struct model_pak *);
gint fdf_species_index(gchar *, GSList *);
GSList *gromacs_read_ff(const gchar *);
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