atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to correct the coordination menus and the corresponding data pointers after edition. More...
#include "atom_edit.h"
Go to the source code of this file.
Functions | |
int | test_this_coord (project *this_proj, int spec, int gid, int cid, int minc, int maxc) |
Look for a type of coordination sphere in a model. | |
void | print_coord_info (project *this_proj, coord_info *coord) |
print coordination info | |
coord_info * | duplicate_coord_info (coord_info *old_coord) |
duplicate coordination information data structure | |
void | clean_coords_and_geoms (project *this_proj, atom_edition *edit, int new_spec, int rem, int adds, int *spid, int ***tmpgeo, gboolean *showcoord[2], gboolean *showpoly[2]) |
clean coordination data and atomic coordination id data | |
void | new_coord_menus (project *this_proj, coord_info *coord, int new_spec, int nmols, gboolean *showcoord[2], gboolean *showpoly[2], gboolean *showfrag, gboolean update_it, gboolean update_mol) |
void | recover_opengl_data (project *this_proj, int nmols, int add, int rem, int *num, int *rec, int ***tmpgeo, gboolean *showfrag) |
recover image pointer data and OpenGL window menu structure | |
Functions to correct the coordination menus and the corresponding data pointers after edition.
Definition in file atom_coord.c.
void clean_coords_and_geoms | ( | project * | this_proj, |
atom_edition * | edit, | ||
int | new_spec, | ||
int | rem, | ||
int | adds, | ||
int * | spid, | ||
int *** | tmpgeo, | ||
gboolean * | showcoord[2], | ||
gboolean * | showpoly[2] ) |
clean coordination data and atomic coordination id data
this_proj | the target project |
edit | |
new_spec | the number of chemical species |
rem | the number of chemical species to remove |
adds | the number of new chemical species |
spid | the number of atom(s) by chemical species |
tmpgeo | the new number of coordination [c] by chemical species [s] 'coorrd -> ntg[c][s]' |
showcoord | the coordination show status |
showpoly | the polyhedra show status |
Definition at line 241 of file atom_coord.c.
coord_info * duplicate_coord_info | ( | coord_info * | old_coord | ) |
duplicate coordination information data structure
old_coord | the coordination info to duplicate |
Definition at line 190 of file atom_coord.c.
void new_coord_menus | ( | project * | this_proj, |
coord_info * | coord, | ||
int | new_spec, | ||
int | nmols, | ||
gboolean * | showcoord[2], | ||
gboolean * | showpoly[2], | ||
gboolean * | showfrag, | ||
gboolean | update_it, | ||
gboolean | update_mol ) |
Definition at line 419 of file atom_coord.c.
void print_coord_info | ( | project * | this_proj, |
coord_info * | coord ) |
print coordination info
this_proj | the target project |
coord | the target coordination info |
Definition at line 87 of file atom_coord.c.
void recover_opengl_data | ( | project * | this_proj, |
int | nmols, | ||
int | add, | ||
int | rem, | ||
int * | num, | ||
int * | rec, | ||
int *** | tmpgeo, | ||
gboolean * | showfrag ) |
recover image pointer data and OpenGL window menu structure
this_proj | the target project |
nmols | the number of molecules |
add | the number of new chemical species |
rem | the number of chemical species to remove |
num | the number of atom(s) by chemical species |
rec | the lsit of removed chemical species, if any |
tmpgeo | the new number of coordination [c] by chemical species [s] 'coorrd -> ntg[c][s]' |
showfrag | the saved fragment(s) show information |
Definition at line 549 of file atom_coord.c.
int test_this_coord | ( | project * | this_proj, |
int | spec, | ||
int | gid, | ||
int | cid, | ||
int | minc, | ||
int | maxc ) |
Look for a type of coordination sphere in a model.
this_proj | the target project |
spec | the number of chemical species |
gid | the coordination type |
cid | the coordination id |
minc | min value for coordination id |
maxc | max value for coordination id |
Definition at line 62 of file atom_coord.c.