int do_site (struct ring *r, struct pdb_ATOM *model)
{
static int new_site; /* initialized to 0 by compiler */
struct pdb_ATOM *s;
int i;
/* actually it is completely brain damaged to have string pointers
in the pdb struct; one needs the strings to be somewhere between
fuction calls... anyway, I am using static chars[] for the time being */
static char RES[] = "MTH";
static char EXPOSED[] = "EXPD";
static char EMPTY[1] = "";
char *segment;
Cylindrical u;
/* flag inner wall atoms */
segment = (r->bExposed) ? EXPOSED : EMPTY;
for (i = 0, u.phi = 0; i < r->maxsite; i++, u.phi += r->dphi)
{
s = &model[i + new_site];
s->serial = i + new_site + 1; /* serial is NOT the offset in the array*/
s->species = r->layer->domain->species;
s->name = s->species->symbol;
s->altLoc = " ";
s->resName = RES;
s->chainID = " ";
s->resSeq = 1; /* all pore atomes belong to the same res/chain */
s->iCode = " ";
u.rho = r->rho;
u.z = r->layer->z;
s->cpos = u;
s->pos = cyl2cart(u);
s->occupancy = 0; /* dont care, dont know... */
s->tempFactor = 0;
s->segID = segment;
s->element = " ";
s->charge = s->species->charge;
/* GROMACS atoms section */
/* buffer overflow possible (max length 10): */
/* sprintf (s->atom, "%s%d", s->species->gmx_name, s->serial);
assert (strlen(s->atom) <= 10);
*/
strncpy (s->atom, s->species->gmx_name, 9);
s->cgnr = s->serial;
/* all atoms in their own charge group. Perhaps
better to divide it up into domains, but for
the time being...
*/
print_site(s);
};
return new_site += i; /* first site of next ring */
}
int open_file(char *file) {
if ((strstr(file,".ovd")!=NULL) || (strstr(file,".odt")!=NULL) ) /* check whether it's a ovd or odt*/
{
if (strstr(file,".ovd")!=NULL) /* ovd*/
{
ovd_file = fopen(file,"r");
if (ovd_file != NULL)
{
buffer = (struct fileinfo *)malloc(sizeof(struct fileinfo));
main_win = subwin(stdscr,LINES-2,COLS,1,0);
get_file_content(ovd_file, file, buffer);
fclose(ovd_file);
cur_char = buffer->content;
print_site(buffer->cur_line, buffer->lines);
print_file(buffer,cur_char);
file_printed = true;
file_type = 2;
}
else
{
print_status_bar("File does not exist!");
}
}
else /* else if odt */
{
buffer = (struct fileinfo *)malloc(sizeof(struct fileinfo));
main_win= subwin(stdscr,LINES-2,COLS,1,0);
open_odt(file, buffer);
/* get_file_meta("/tmp/ooview/meta.xml",buffer);*/
cur_char = buffer->content;
print_site(buffer->cur_line, buffer->lines);
print_file(buffer,cur_char);
file_printed = true;
file_type = 1;
}
}
else
{
print_status_bar("Must be a OOView-file (ovd) or OpenDocument-file (odt)!");
}
}
int main (int argc, char **argv)
{
logfilepath = getenv ("HOME");
logfilepath = strcat (logfilepath, "/.ooview.log");
load_config();
initscr();
raw();
noecho();
start_color();
keypad(stdscr,TRUE);
init_pair(1, COLOR_WHITE, COLOR_BLACK);
init_pair(2, COLOR_RED, COLOR_WHITE);
init_pair(3, COLOR_BLUE, COLOR_WHITE);
init_pair(4, COLOR_BLACK, COLOR_WHITE);
bkgd(COLOR_PAIR(1));
curs_set(0);
menu_bar = subwin(stdscr,1,COLS,0,0);
wbkgd(menu_bar,COLOR_PAIR(2));
waddstr(menu_bar,"File");
wattron(menu_bar, COLOR_PAIR(3));
waddstr(menu_bar,"<F1>");
wattroff(menu_bar, COLOR_PAIR(3));
wmove(menu_bar, 0, 19);
waddstr(menu_bar,"View");
wattron(menu_bar, COLOR_PAIR(3));
waddstr(menu_bar,"<F2>");
wattroff(menu_bar, COLOR_PAIR(3));
wmove(menu_bar, 0, 34);
waddstr(menu_bar,"Options");
wattron(menu_bar, COLOR_PAIR(3));
waddstr(menu_bar,"<F3>");
wattroff(menu_bar, COLOR_PAIR(3));
wmove(menu_bar, 0, 53);
waddstr(menu_bar,"Help");
wattron(menu_bar, COLOR_PAIR(3));
waddstr(menu_bar,"<F4>");
wattroff(menu_bar, COLOR_PAIR(3));
status_bar = subwin(stdscr,1,COLS,LINES-1,0);
wbkgd(status_bar,COLOR_PAIR(4));
n_choices[0] = ARRAY_SIZE(file_choices);
n_choices[1] = ARRAY_SIZE(view_choices);
n_choices[2] = ARRAY_SIZE(opts_choices);
n_choices[3] = ARRAY_SIZE(help_choices);
file_items = (ITEM **)calloc(n_choices[0] + 1, sizeof(ITEM *));
view_items = (ITEM **)calloc(n_choices[1] + 1, sizeof(ITEM *));
opts_items = (ITEM **)calloc(n_choices[2] + 1, sizeof(ITEM *));
help_items = (ITEM **)calloc(n_choices[3] + 1, sizeof(ITEM *));
for (i=0; i<n_choices[0]; ++i)
file_items[i] = new_item(file_choices[i], NULL);
for (i=0; i<n_choices[1]; ++i)
view_items[i] = new_item(view_choices[i], NULL);
for (i=0; i<n_choices[2]; ++i)
opts_items[i] = new_item(opts_choices[i], NULL);
for (i=0; i<n_choices[3]; ++i)
help_items[i] = new_item(help_choices[i], NULL);
file_items[n_choices[0]] = (ITEM *)NULL;
view_items[n_choices[1]] = (ITEM *)NULL;
opts_items[n_choices[2]] = (ITEM *)NULL;
help_items[n_choices[3]] = (ITEM *)NULL;
file_menu = new_menu((ITEM **)file_items);
view_menu = new_menu((ITEM **)view_items);
opts_menu = new_menu((ITEM **)opts_items);
help_menu = new_menu((ITEM **)help_items);
set_menu_mark(file_menu, "");
set_menu_mark(view_menu, "");
set_menu_mark(opts_menu, "");
set_menu_mark(help_menu, "");
init_screen();
if (argc == 2)
open_file(argv[1]);
while ((c = getch()) != EXIT_KEY)
{
action_performed = false;
switch (c)
{
case KEY_F(1):
cur_menu=1;
break;
case KEY_F(2):
cur_menu=2;
break;
case KEY_F(3):
cur_menu=3;
break;
case KEY_F(4):
cur_menu=4;
break;
case KEY_UP:
if ((file_printed) && (buffer->cur_line > 1))
{
int backsteps = 0;
int steps;
char *tmp;
if ((*--cur_char)==NEWLINE)
backsteps++;
tmp = cur_char - 1;
if ((*--cur_char) == NEWLINE)
{
cur_char = tmp;
print_status_bar("yeah");
}
else
{
do {
cur_char--;
backsteps++;
} while (((*cur_char)!=NEWLINE) && (cur_char != buffer->content));
if (backsteps > COLS)
{
int test;
test = backsteps/COLS;
steps = (backsteps%COLS);
if (test>1)
steps += COLS;
mvwprintw(status_bar,0,0,"%d",steps);
touchwin(status_bar);
wrefresh(status_bar);
cur_char += backsteps;
cur_char -= steps;
}
}
buffer->cur_line--;
print_site(buffer->cur_line, buffer->lines);
if (cur_char!=buffer->content)
print_file(buffer,++cur_char);
else
print_file(buffer,cur_char);
}
break;
case KEY_DOWN:
if ((file_printed) && (buffer->cur_line < buffer->lines))
{
int cols=0;
while (((*cur_char)!=NEWLINE) && (cols < COLS-1))
{
cols++;
cur_char++;
}
buffer->cur_line++;
print_site(buffer->cur_line, buffer->lines);
print_file(buffer,++cur_char);
}
break;
default:
if (meta_win!=NULL)
{
delwin(meta_win);
touchwin(stdscr);
refresh();
}
}
if (cur_menu == 1)
{
file_win = newwin(8,19,1,0);
keypad(file_win,TRUE);
box(file_win,0,0);
set_menu_win(file_menu, file_win);
set_menu_sub(file_menu, derwin(file_win,6,17,1,1));
post_menu(file_menu);
while (c = wgetch(file_win))
{
if (c == KEY_DOWN)
menu_driver(file_menu, REQ_DOWN_ITEM);
else if (c == KEY_UP)
menu_driver(file_menu, REQ_UP_ITEM);
else if (c == KEY_RIGHT)
{
cur_menu = 2;
break;
}
else if (c == KEY_LEFT)
{
cur_menu = 4;
break;
}
else if (c == RETURN)
{
cur_menu = 0;
cmd = (char *)item_name(current_item(file_menu));
action_performed = true;
break;
}
else
{
cur_menu = 0;
break;
}
}
unpost_menu(file_menu);
touchwin(stdscr);
wrefresh(stdscr);
}
if (cur_menu == 2)
{
view_win = newwin(6,15,1,19);
keypad(view_win,TRUE);
box(view_win,0,0);
set_menu_win(view_menu, view_win);
set_menu_sub(view_menu, derwin(view_win,4,13,1,1));
post_menu(view_menu);
while (c = wgetch(view_win))
{
if (c == KEY_DOWN)
menu_driver(view_menu, REQ_DOWN_ITEM);
else if (c == KEY_UP)
menu_driver(view_menu, REQ_UP_ITEM);
else if (c == KEY_RIGHT)
{
cur_menu = 3;
break;
}
else if (c == KEY_LEFT)
{
cur_menu = 1;
break;
}
else if (c == RETURN)
{
cur_menu = 0;
cmd = (char *)item_name(current_item(view_menu));
action_performed = true;
break;
}
else
{
cur_menu = 0;
break;
}
}
unpost_menu(view_menu);
touchwin(stdscr);
refresh();
}
if (cur_menu == 3)
{
opts_win = newwin(5,19,1,34);
keypad(opts_win,TRUE);
box(opts_win,0,0);
set_menu_win(opts_menu, opts_win);
set_menu_sub(opts_menu, derwin(opts_win,3,17,1,1));
post_menu(opts_menu);
while (c = wgetch(opts_win))
{
if (c == KEY_DOWN)
menu_driver(opts_menu, REQ_DOWN_ITEM);
else if (c == KEY_UP)
menu_driver(opts_menu, REQ_UP_ITEM);
else if (c == KEY_RIGHT)
{
cur_menu = 4;
break;
}
else if (c == KEY_LEFT)
{
cur_menu = 2;
break;
}
else if (c == RETURN)
{
cur_menu = 0;
cmd = (char *)item_name(current_item(opts_menu));
action_performed = true;
break;
}
else
{
cur_menu = 0;
break;
}
}
unpost_menu(opts_menu);
touchwin(stdscr);
refresh();
}
if (cur_menu == 4)
{
help_win = newwin(6,17,1,53);
keypad(help_win,TRUE);
box(help_win,0,0);
set_menu_win(help_menu, help_win);
set_menu_sub(help_menu, derwin(help_win,4,15,1,1));
post_menu(help_menu);
while (c = wgetch(help_win))
{
if (c == KEY_DOWN)
menu_driver(help_menu, REQ_DOWN_ITEM);
else if (c == KEY_UP)
menu_driver(help_menu, REQ_UP_ITEM);
else if (c == KEY_RIGHT)
{
cur_menu = 1;
break;
}
else if (c == KEY_LEFT)
{
cur_menu = 3;
break;
}
else if (c == RETURN)
{
cur_menu = 0;
cmd = (char *)item_name(current_item(help_menu));
action_performed = true;
break;
}
else
{
cur_menu = 0;
break;
}
}
unpost_menu(help_menu);
touchwin(stdscr);
refresh();
}
if (action_performed)
{
char file[80];
clear_status_bar();
if (!strcmp(cmd,"Open"))
{
if (file_printed==false)
{
print_status_bar("Enter a file: ");
curs_set(1);
echo();
wscanw(status_bar,"%s",file); /* get filename from user */
curs_set(0);
noecho();
open_file(file);
}
else
{
print_status_bar("Please close current file.");
}
}
if (!strcmp(cmd,"Close"))
{
if (file_printed)
{
free(buffer);
werase(main_win);
init_screen();
wrefresh(main_win);
file_printed = false;
system("rm -rf /tmp/ooview");
}
else
{
print_status_bar("No open file!");
}
}
if (!strcmp(cmd,"Reload"))
{
if (file_printed)
{
if (strstr(file,".ovd")!=NULL) /* ovd*/
{
ovd_file = fopen(file,"r");
if (ovd_file != NULL)
{
free(buffer);
buffer = (struct fileinfo *)malloc(sizeof(struct fileinfo));
main_win = subwin(stdscr,LINES-2,COLS,1,0);
get_file_content(ovd_file, file, buffer);
fclose(ovd_file);
cur_char = buffer->content;
print_site(buffer->cur_line, buffer->lines);
print_file(buffer,cur_char);
file_printed = true;
}
else
{
print_status_bar("File does not exist!");
}
}
else /* else if odt */
{
free(buffer);
buffer = (struct fileinfo *)malloc(sizeof(struct fileinfo));
main_win= subwin(stdscr,LINES-2,COLS,1,0);
open_odt(file,buffer);
get_file_meta("/tmp/ooview/meta.xml",buffer);
cur_char = buffer->content;
print_site(buffer->cur_line, buffer->lines);
print_file(buffer,cur_char);
file_printed = true;
}
}
else
{
print_status_bar("No open file!");
}
}
if (!strcmp(cmd,"Document info"))
{
if (file_printed)
{
if (file_type==1)
{
meta_win = newwin(9,COLS-2,(LINES/2)-5,1);
wbkgd(meta_win,COLOR_PAIR(4));
mvwprintw(meta_win,1,1,"Genarator: %s", buffer->generator);
mvwprintw(meta_win,2,1,"Initial creator:\t%s", buffer->initial_creator);
mvwprintw(meta_win,3,1,"Creation date:\t\t%s", buffer->creation_date);
mvwprintw(meta_win,4,1,"Creator:\t\t%s", buffer->creator);
mvwprintw(meta_win,5,1,"Date:\t\t\t%s", buffer->date);
mvwprintw(meta_win,6,1,"Editing cycles:\t%s", buffer->editing_cycles);
mvwprintw(meta_win,7,1,"Editing duration:\t%s", buffer->editing_duration);
box(meta_win,0,0);
wrefresh(meta_win);
touchwin(meta_win);
}
}
else
{
print_status_bar("No open file!");
}
}
if (!strcmp(cmd,"OOView homepage"))
{
char *syscall;
syscall=(char *)malloc(strlen(BROWSER)+strlen(HOMEPAGE_URL)+1);
sprintf(syscall, "%s %s", BROWSER, HOMEPAGE_URL);
system(syscall);
free(syscall);
if (file_printed)
free(buffer);
end_curses();
return(0);
}
if (!strcmp(cmd,"Documentation"))
{
char *syscall;
syscall=(char *)malloc(strlen(BROWSER)+strlen(HOMEPAGE_URL)+1);
sprintf(syscall, "%s %s", BROWSER, HOMEPAGE_URL);
system(syscall);
free(syscall);
if (file_printed)
free(buffer);
end_curses();
return(0);
}
if (!strcmp(cmd, "About OOView"))
print_status_bar("OOView. Visit Homepage for details");
if (!strcmp(cmd, "Copying"))
print_status_bar("OOView is under GPL/2 Visit Homepage for details");
if (!strcmp(cmd, "Find")) {
if (file_printed) {
print_status_bar("Enter string to find: ");
char *findit;
curs_set(1);
echo();
wscanw(status_bar,"%s",findit);
/*
how to find a string in a string?
find it -> set cursor to position
*/
print_status_bar("Not implemented yet :(");
curs_set(0);
noecho();
} else {
print_status_bar("No open file!");
}
}
if (!strcmp(cmd, "External Programs")) {
char *prompt;
/*getting printer command*/
prompt = (char *)malloc((strlen("Enter Printing Command []: ")+strlen(PRINTER)));
sprintf(prompt,"Enter Printing Command [%s]: ",PRINTER);
print_status_bar(prompt);
free(prompt);
curs_set(1);
echo();
char *newcmd;
wscanw(status_bar,"%s",newcmd);
curs_set(0);
noecho();
print_status_bar(newcmd);
/* / getting printer command*/
}
if (!strcmp(cmd,"Exit"))
{
if (file_printed)
free(buffer);
end_curses();
return 0;
}
}
}
if (file_printed)
free(buffer);
end_curses();
return 0;
}
