void select_frame(GtkWidget *w, struct model_pak *model)
{
FILE *fp=NULL;
g_assert(w != NULL);
g_assert(model != NULL);
#if DEBUG_SELECT_FRAME
printf("request frame: %d, model: %p\n", model->cur_frame, model);
#endif
/* FIXME - better way to cope with transform animations */
if (!model->transform_list)
fp = fopen(model->filename, "r");
read_frame(fp, model->cur_frame, model);
meas_graft_model(model);
gui_active_refresh();
redraw_canvas(SINGLE);
if (!model->transform_list)
fclose(fp);
}
void delete_commit(struct model_pak *data)
{
gint flag1=FALSE, flag2=FALSE;
gpointer m;
GSList *list1, *list2;
struct core_pak *core;
struct shel_pak *shell;
struct bond_pak *bond;
g_assert(data != NULL);
/* delete flaged cores in list */
list1 = data->cores;
while (list1)
{
core = list1->data;
list1 = g_slist_next(list1);
if (core->status & DELETED)
{
#if DEBUG_DELETE_COMMIT
printf("Deleting %s core [%p] ...\n", core->label, core);
#endif
flag1 = TRUE;
/* flag assoc. shell */
if (core->shell)
{
shell = core->shell;
shell->status |= DELETED;
}
/* update connectivity */
connect_atom_clear(core, data);
list2 = data->ubonds;
while (list2)
{
bond = list2->data;
list2 = g_slist_next(list2);
if (bond->atom1 == core || bond->atom2 == core)
{
data->ubonds = g_slist_remove(data->ubonds, bond);
g_free(bond);
}
}
/* update selection */
data->selection = g_slist_remove(data->selection, core);
/* delete any labels that reference the deleted core */
list2 = data->measure_list;
while (list2)
{
m = list2->data;
list2 = g_slist_next(list2);
if (measure_has_core(core, m))
measure_free(m, data);
}
/* update main list */
data->cores = g_slist_remove(data->cores, core);
g_free(core);
}
}
/* delete flaged shells in list */
list1 = data->shels;
while (list1)
{
shell = list1->data;
list1 = g_slist_next(list1);
if (shell->status & DELETED)
{
flag2 = TRUE;
/* update main list */
data->shels = g_slist_remove(data->shels, shell);
g_free(shell);
}
}
/* refresh totals */
data->num_atoms = g_slist_length(data->cores);
data->num_shells = g_slist_length(data->shels);
/* refresh spatial partitioning */
/* it's probably best to refresh the partitioning here, rather than */
/* incrementally as it's speedups for large models we're targeting */
zone_init(data);
/* cope with deleted bonds - expensive, so only do if required */
if (flag1)
{
connect_bonds(data);
connect_molecules(data);
}
/* refresh net charge calc */
calc_emp(data);
/* refresh unique atom list */
g_slist_free(data->unique_atom_list);
data->unique_atom_list = find_unique(ELEMENT, data);
/* refresh widgets */
meas_graft_model(data);
gui_refresh(GUI_MODEL_PROPERTIES);
/* reset functions with static pointers to cores */
data->state = 0;
}
gint anim_next_frame(struct model_pak *model)
{
gulong time;
gchar *text, *name;
g_assert(model != NULL);
/* increment and test if should we return to the start */
model->cur_frame += model->anim_step;
if (model->cur_frame >= model->num_frames)
if (model->anim_loop)
model->cur_frame = 1;
/* continue until we run out of frames (or a stop is flagged) */
if (model->cur_frame < model->num_frames && model->animating)
{
#if DEBUG_DISPLAY_NEXT_FRAME
printf("displaying [%d]\n", model->cur_frame);
#endif
time = mytimer();
/* if a dialog exists - update via the current frame spinner */
if (dialog_exists(ANIM, model))
gui_relation_update(model);
else
{
/* otherwise, update manually */
read_frame(model->afp, model->cur_frame, model);
meas_graft_model(model);
gui_active_refresh();
redraw_canvas(SINGLE);
}
/* animation adjusted redraw time */
time = mytimer() - time;
model->redraw_cumulative += time;
/* NEW - render to file */
if (sysenv.render.animate)
{
text = g_strdup_printf("%s_%06d.pov", sysenv.render.animate_file, model->cur_frame);
name = g_build_filename(sysenv.cwd, text, NULL);
write_povray(name, model);
/* NB: added this as jago keeps locking up on multi-frame renders */
if (!sysenv.render.no_povray_exec)
povray_exec(name);
g_free(text);
g_free(name);
}
return(TRUE);
}
/* FIXME - find a better way to do this... */
if (!model->transform_list)
fclose(model->afp);
/* done animation */
model->animating = FALSE;
model->cur_frame--;
/* create movie? */
if (sysenv.render.animate && !sysenv.render.no_povray_exec)
{
text = NULL;
switch (sysenv.render.animate_type)
{
case ANIM_GIF:
text = g_strdup_printf("%s -delay %d %s_*.tga %s.gif",
sysenv.convert_path,
(gint) sysenv.render.delay,
sysenv.render.animate_file, sysenv.render.animate_file);
break;
case ANIM_MPEG:
text = g_strdup_printf("%s -quality %d -delay %d %s_*.tga %s.mpg",
sysenv.convert_path, (gint) sysenv.render.mpeg_quality,
(gint) sysenv.render.delay,
sysenv.render.animate_file, sysenv.render.animate_file);
break;
}
if (text)
{
system(text);
g_free(text);
gui_text_show(DEFAULT, "Completed movie creation.\n");
}
}
/* cleanup */
if (sysenv.render.no_keep_tempfiles)
{
#ifndef __WIN32
text = g_strdup_printf("rm -rf %s_*.pov", sysenv.render.animate_file);
system(text);
g_free(text);
text = g_strdup_printf("rm -rf %s_*.tga", sysenv.render.animate_file);
system(text);
g_free(text);
#endif
/* TODO - windows equivalents */
}
/* done - return FALSE to terminate the timer */
return(FALSE);
}
