/
file.c
4063 lines (3037 loc) · 104 KB
/
file.c
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/*
Copyright (C) 1998, 1999, 2000, 2001, 2002, 2003, 2004, 2005, 2006 Matthew P. Hodges
This file is part of XMakemol.
XMakemol 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, or (at your option)
any later version.
XMakemol 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 XMakemol; see the file COPYING. If not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
*/
#define __FILE_C__
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif
#if HAVE_ALLOCA_H
#include <alloca.h>
#endif
#include <ctype.h> /* aro - needed for isalnum() */
#include <dirent.h>
#include <locale.h>
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <unistd.h>
/* #include <libgen.h> */
char * gnu_basename (char *);
#include <Xm/FileSB.h>
#include <Xm/Label.h>
#include <Xm/List.h>
#include <Xm/MessageB.h> /* aro */
#include <Xm/PushB.h> /* aro */
#include <Xm/RowColumn.h>/* aro */
#include <Xm/TextF.h> /* aro */
#include <Xm/ToggleB.h> /* aro */
#include "globals.h"
#include "bonds.h"
#include "defs.h"
#include "draw.h"
#ifdef GL
#include "gl_funcs.h" /* aro - for visinfo */
#include "gl2ps.h"
#endif /* GL */
#include "view.h"
#include "bbox.h" /* wjq - for bbox_xyz */
#ifdef XPM
#include <X11/xpm.h>
#endif
void echo_to_message_area(char *);
struct frame * get_first_frame (void);
XmString get_current_directory (void);
void set_current_directory (XmString dir);
void place_dialog_cb (Widget, XtPointer, XtPointer);
static int no_elements;
static int bond_adjacency_lists_allocated_size;
//static int file_type = 0;
static int export_type = 0;
enum merge_types {MERGE_FRAME, MERGE_ALL};
static enum merge_types merge_type = MERGE_FRAME;
static Boolean aux_file_exists_p;
static Boolean aux_file_error_p;
Widget p_dialog = NULL;/* aro */
static struct frame *first_frame, *current_frame;
struct type
{
int elem; /* corresponding element */
char label[4];
struct type *next;
};
static struct type *first_type, *current_type;
/* directory that was accessed in any of the file selection dialogs */
static XmString current_directory = NULL;
void
file_cb(Widget widget, XtPointer client_data, XtPointer call_data)
{
void open_file(char *, Boolean);
/* aro:
Updates here: added print_file callback for selection box
containing list of printers.
Also added:
int i, j;
all char * and arrays;
FILE *printcap_file;
Widgets p_dialog, print_printer, temp_widget;
XmStringTable printer_xmstrings. */
void export_type_cb(Widget, XtPointer, XtPointer);
void file_type_cb(Widget, XtPointer, XtPointer);
void load_file_cb(Widget, XtPointer, XtPointer);
void save_file_cb(Widget, XtPointer, XtPointer);
void merge_file_cb(Widget, XtPointer, XtPointer);
void export_file_cb(Widget, XtPointer, XtPointer);
void print_file_cb(Widget, XtPointer, XtPointer);/* aro */
void print_file_select_cb(Widget, XtPointer, XtPointer);/* aro */
void cleanup_cb(Widget, XtPointer, XtPointer);/* aro */
int item_no=(int) client_data, i, j;/* aro */
char *printer_name, *line_ptr, line[1024], printer_strings[MAX_PRINTERS+1][80],
print_command_string[1024];/* aro */
FILE *printcap_file;/* aro */
static Widget o_dialog,s_dialog,m_dialog,e_dialog;
Widget rc[2], export_type_w, file_type_w, print_printer, print_command, temp_widget;/* aro */
XmString title, bw_fig, col_fig, as_all, as_fra, con_fra, eps_bw, eps_co, aux;
XmStringTable printer_xmstrings[MAX_PRINTERS];/* aro */
#ifdef XPM
XmString xpm;
#endif
#ifdef GL
XmString gl2ps_eps, gl2ps_pdf, gl2ps_svg;
#endif
switch(item_no){
case 0:
if (!o_dialog) {
o_dialog = XmCreateFileSelectionDialog
(toplevel, "file_sel", NULL, 0);
title=XmStringCreateLocalized ("Open File");
XtVaSetValues(o_dialog, XmNdialogTitle, title, NULL);
title = XmStringCreateLocalized("*.xyz");
XtVaSetValues(o_dialog, XmNpattern, title, NULL);
XmStringFree (title);
/* okCallback calls load_file_cb(), cancelCallback unmanages the
FileSelectionDialog widget */
XtAddCallback (o_dialog, XmNokCallback, load_file_cb, NULL);
XtAddCallback (o_dialog, XmNcancelCallback,
(XtCallbackProc)XtUnmanageChild, NULL);
/* No help available ... */
XtUnmanageChild
(XmFileSelectionBoxGetChild(o_dialog,XmDIALOG_HELP_BUTTON));
}
/* Change to a directory that was just recently operated in any of the
file selection dialogs and refresh the file list so that newly
created files do show up */
XtVaSetValues (o_dialog, XmNdirectory, get_current_directory (), NULL);
XmFileSelectionDoSearch (o_dialog, NULL);
XtAddCallback (o_dialog, XmNmapCallback, place_dialog_cb, NULL);
XtManageChild (o_dialog);
XtPopup (XtParent (o_dialog), XtGrabNone);
break;
case 1:
open_file(current_file_name, TRUE);
break;
case 2:
if (!s_dialog) {
s_dialog = XmCreateFileSelectionDialog (toplevel, "file_sel", NULL, 0);
title=XmStringCreateLocalized ("Save File");
XtVaSetValues(s_dialog, XmNdialogTitle, title, NULL);
/* okCallback calls save_file(), cancelCallback unmanages the
FileSelectionDialog widget */
as_all = XmStringCreateLocalized("XYZ (all)");
as_fra = XmStringCreateLocalized("XYZ (frame)");
con_fra = XmStringCreateLocalized("XYZ + connectivities (frame)");
aux = XmStringCreateLocalized ("Auxiliary info");
title=XmStringCreateLocalized ("File type");
file_type_w=XmVaCreateSimpleOptionMenu
(s_dialog,"File type",title,'F', 0, file_type_cb,
XmVaPUSHBUTTON, as_all, 'X', NULL, NULL,
XmVaPUSHBUTTON, as_fra, 'Y', NULL, NULL,
XmVaPUSHBUTTON, con_fra, 'Z', NULL, NULL,
XmVaPUSHBUTTON, aux, 'A', NULL, NULL,
NULL);
XtManageChild(file_type_w);
XmStringFree(as_all);
XmStringFree(as_fra);
XmStringFree(con_fra);
XmStringFree (aux);
XmStringFree(title);
XtAddCallback(s_dialog, XmNokCallback, save_file_cb, NULL);
XtAddCallback(s_dialog, XmNcancelCallback,
(XtCallbackProc)XtUnmanageChild, NULL);
/* No help available ... */
XtUnmanageChild
(XmFileSelectionBoxGetChild(s_dialog,XmDIALOG_HELP_BUTTON));
}
/* Change to a directory that was just recently operated in any of the
file selection dialogs and refresh the file list so that newly
created files do show up */
XtVaSetValues (s_dialog, XmNdirectory, get_current_directory (), NULL);
XmFileSelectionDoSearch (s_dialog, NULL);
XtAddCallback (s_dialog, XmNmapCallback, place_dialog_cb, NULL);
XtManageChild (s_dialog);
XtPopup (XtParent (s_dialog), XtGrabNone);
break;
case 3:
if (!m_dialog) {
m_dialog = XmCreateFileSelectionDialog
(toplevel, "file_sel", NULL, 0);
title=XmStringCreateLocalized ("Merge With File");
XtVaSetValues (m_dialog, XmNdialogTitle, title, NULL);
title = XmStringCreateLocalized ("*.xyz");
XtVaSetValues (m_dialog, XmNpattern, title, NULL);
{
void merge_type_cb (Widget, XtPointer, XtPointer);
Widget merge_type_w;
XmString merge_frame, merge_all;
merge_frame = XmStringCreateLocalized ("Use first frame");
merge_all = XmStringCreateLocalized ("Use all frames");
title = XmStringCreateLocalized ("Merge type");
merge_type_w = XmVaCreateSimpleOptionMenu
(m_dialog,
"Merge type",
title,
'M', 0, merge_type_cb,
XmVaPUSHBUTTON, merge_frame, 'f', NULL, NULL,
XmVaPUSHBUTTON, merge_all, 'a', NULL, NULL,
NULL);
XtManageChild (merge_type_w);
XmStringFree (merge_frame);
XmStringFree (merge_all);
}
XmStringFree (title);
XtAddCallback (m_dialog, XmNokCallback, merge_file_cb, NULL);
XtAddCallback (m_dialog, XmNcancelCallback,
(XtCallbackProc)XtUnmanageChild, NULL);
/* No help available ... */
XtUnmanageChild
(XmFileSelectionBoxGetChild(m_dialog,XmDIALOG_HELP_BUTTON));
}
/* Change to a directory that was just recently operated in any of the
file selection dialogs and refresh the file list so that newly
created files do show up */
XtVaSetValues (m_dialog, XmNdirectory, get_current_directory (), NULL);
XmFileSelectionDoSearch (m_dialog, NULL);
XtAddCallback (m_dialog, XmNmapCallback, place_dialog_cb, NULL);
XtManageChild (m_dialog);
XtPopup (XtParent (m_dialog), XtGrabNone);
break;
case 4:
if (!e_dialog) {
e_dialog = XmCreateFileSelectionDialog (toplevel, "file_sel", NULL, 0);
title=XmStringCreateLocalized ("Export File");
XtVaSetValues(e_dialog, XmNdialogTitle, title, NULL);
/* okCallback calls save_file(), cancelCallback unmanages the
FileSelectionDialog widget */
bw_fig = XmStringCreateLocalized("Fig (b/w)");
col_fig = XmStringCreateLocalized("Fig (colour)");
eps_bw = XmStringCreateLocalized("EPS (b/w)");
eps_co = XmStringCreateLocalized("EPS (colour)");
#ifdef XPM
xpm = XmStringCreateLocalized("XPM");
#endif
#ifdef GL
gl2ps_eps = XmStringCreateLocalized("GL2PS (EPS)");
gl2ps_pdf = XmStringCreateLocalized("GL2PS (PDF)");
gl2ps_svg = XmStringCreateLocalized("GL2PS (SVG)");
#endif
title=XmStringCreateLocalized ("File type");
export_type_w=XmVaCreateSimpleOptionMenu
(e_dialog,"File type",title,'F', 0, export_type_cb,
XmVaPUSHBUTTON, bw_fig, 'S', NULL, NULL,
XmVaPUSHBUTTON, col_fig, 'T', NULL, NULL,
XmVaPUSHBUTTON, eps_bw, 'E', NULL, NULL,
XmVaPUSHBUTTON, eps_co, 'P', NULL, NULL,
#ifdef XPM
XmVaPUSHBUTTON, xpm, 'X', NULL, NULL,
#endif
#ifdef GL
XmVaPUSHBUTTON, gl2ps_eps, 'G', NULL, NULL,
XmVaPUSHBUTTON, gl2ps_pdf, 'P', NULL, NULL,
XmVaPUSHBUTTON, gl2ps_svg, 'V', NULL, NULL,
#endif
NULL);
XtManageChild(export_type_w);
XmStringFree (bw_fig);
XmStringFree (col_fig);
XmStringFree(eps_bw);
XmStringFree(eps_co);
#ifdef XPM
XmStringFree(xpm);
#endif
#ifdef GL
XmStringFree (gl2ps_eps);
XmStringFree (gl2ps_pdf);
XmStringFree (gl2ps_svg);
#endif
XmStringFree(title);
XtAddCallback(e_dialog, XmNokCallback, export_file_cb, (XtPointer) 3);
XtAddCallback(e_dialog, XmNcancelCallback,
(XtCallbackProc)XtUnmanageChild, NULL);
/* No help available ... */
XtUnmanageChild
(XmFileSelectionBoxGetChild(e_dialog,XmDIALOG_HELP_BUTTON));
}
/* Change to a directory that was just recently operated in any of the
file selection dialogs and refresh the file list so that newly
created files do show up */
XtVaSetValues (e_dialog, XmNdirectory, get_current_directory (), NULL);
XmFileSelectionDoSearch (e_dialog, NULL);
XtAddCallback (e_dialog, XmNmapCallback, place_dialog_cb, NULL);
XtManageChild (e_dialog);
XtPopup (XtParent (e_dialog), XtGrabNone);
break;
case 5:/* aro: Create print dialog */
if (!p_dialog) {
p_dialog = XmCreateMessageDialog(toplevel, "print dialog", NULL, 0);
title=XmStringCreateLocalized ("Print File");
XtVaSetValues(p_dialog, XmNdialogTitle, title, NULL);
XmStringFree (title);
/* Change OK button label to "Print" */
temp_widget = XmMessageBoxGetChild(p_dialog, XmDIALOG_OK_BUTTON);
title=XmStringCreateLocalized("Print");
XtVaSetValues(temp_widget, XmNlabelString, title, NULL);
XmStringFree (title);
/* Main RowColumn */
rc[0] = XtVaCreateManagedWidget("rc_main",
xmRowColumnWidgetClass,
p_dialog,
XmNorientation, XmVERTICAL,
NULL);
/* First sub RowColumn */
rc[1] = XtVaCreateManagedWidget("rc_sub_1",
xmRowColumnWidgetClass,
rc[0],
XmNorientation, XmHORIZONTAL,
NULL);
XtVaCreateManagedWidget("File:",
xmLabelWidgetClass,
rc[1],
NULL);
/* If current_file_name is an empty string, assume no file
has been loaded */
if(strcmp(current_file_name, "") == 0)
title = XmStringCreateLocalized ("(no file loaded)");
else
title = XmStringCreateLocalized (current_file_name);
XtVaCreateManagedWidget("file_name",
xmLabelWidgetClass,
rc[1],
XmNlabelString, title,
NULL);
XmStringFree(title);
/* Second sub RowColumn */
rc[1] = XtVaCreateManagedWidget("rc_sub_2",
xmRowColumnWidgetClass,
rc[0],
XmNorientation, XmHORIZONTAL,
NULL);
XtVaCreateManagedWidget("Printer:",
xmLabelWidgetClass,
rc[1],
NULL);
/* Parse /etc/printcap to get list of available printers.
User can still type in an arbitrary name */
printcap_file = fopen("/etc/printcap", "r");
i = 0, j = 0;
if(printcap_file != NULL)
{
line_ptr = fgets(line, sizeof(line), printcap_file);
while(line_ptr != NULL && j < MAX_PRINTERS)
{
/* If line[i] is an alphanumeric character, assume it is
part of printer name */
if(isalnum((int)line[i]))
{
printer_strings[j][i] = line[i];
i++;
}
/* If line[i] is '|' or ':' then we've reached end of
printer name, append '\0' to printer_strings
and get next line */
else if(line[i] == '|' || line[i] == ':')
{
printer_strings[j][i] = '\0';
line_ptr = fgets(line, sizeof(line), printcap_file);
i = 0;
j++;
}
/* If line[i] is not an alphanumeric character and
it is not '|' or ':' then get next line of printcap_file */
else
{
line_ptr = fgets(line, sizeof(line), printcap_file);
i = 0;
}
}
fclose(printcap_file);
}
/* Set first empty element of printer_strings to "ENDLIST" to denote end.
If failure in opening printcap_file, then j == 0 */
strcpy(printer_strings[j], "ENDLIST");
/* Get default printer name if one of the environment
variables LPDEST or PRINTER is set */
printer_name = getenv("LPDEST");
if(printer_name == NULL)
printer_name = getenv("PRINTER");
if(printer_name == NULL)
{
printer_name = alloca(32);
strcpy(printer_name, "(no default)");
}
/* Create printer name text field initialized with name of
default printer */
print_printer = XtVaCreateManagedWidget("p_name",
xmTextFieldWidgetClass,
rc[1],
XmNcolumns, 20,
XmNvalue, printer_name,
NULL);
/* Third sub RowColumn */
rc[1] = XtVaCreateManagedWidget("rc_sub_3",
xmRowColumnWidgetClass,
rc[0],
NULL);
/* Convert printer strings to XmStrings */
for(j = 0; strcmp(printer_strings[j], "ENDLIST"); j++)
printer_xmstrings[j] = (XmString *)XmStringCreateLocalized(printer_strings[j]);
/* Create scrolled list with names of first MAX_PRINTERS printers from
print_cap file */
i = 0;
XtSetArg(args[i], XmNselectionPolicy, XmSINGLE_SELECT); i++;
/* if j = 0, then no printers were found in /etc/printcap,
so we don't want to set XmNitems to printer_xmstrings,
or we'll get a warning about XmNitemCount not agreeing
with XmNitems */
if(j != 0) {XtSetArg(args[i], XmNitems, printer_xmstrings); i++;}
XtSetArg(args[i], XmNitemCount, j); i++;
XtSetArg(args[i], XmNvisibleItemCount, 5); i++;
temp_widget = XmCreateScrolledList(rc[1], "Printers", args, i);
XtManageChild(temp_widget);
XtAddCallback(temp_widget, XmNsingleSelectionCallback,
print_file_select_cb, print_printer);
XtVaCreateManagedWidget("Copies:",
xmLabelWidgetClass,
rc[1],
NULL);
/* Create text field to let user input number of copies to
be printed */
XtVaCreateManagedWidget("num_copies",
xmTextFieldWidgetClass,
rc[1],
XmNvalue, "1",
XmNcolumns, 4,
NULL);
/* Create radio box to let user select color or black & white
output */
rc[1] = XmCreateRadioBox(rc[0],"color/bw",NULL,0);
XtVaSetValues(rc[1], XmNorientation, XmHORIZONTAL, NULL);
XtVaCreateManagedWidget("color",
xmToggleButtonWidgetClass,
rc[1],
XmNset, True,
NULL);
XtVaCreateManagedWidget("bw",
xmToggleButtonWidgetClass,
rc[1],
NULL);
XtManageChild(rc[1]);
/* Create Label and TextField to display current print command and format */
XtVaCreateManagedWidget("Print command and format:",
xmLabelWidgetClass,
rc[0],
NULL);
sprintf(print_command_string, "lpr -P%%printer%% -#%%num_copies%% %%filename%%");
print_command = XtVaCreateManagedWidget("print_command_label",
xmTextFieldWidgetClass,
rc[0],
XmNvalue, print_command_string,
NULL);
XtAddCallback(p_dialog, XmNokCallback, print_file_cb, print_command);
/* No help available ... */
XtUnmanageChild
(XmMessageBoxGetChild(p_dialog,XmDIALOG_HELP_BUTTON));
}else{
/* Update file name */
temp_widget = XtNameToWidget(p_dialog, "rc_main.rc_sub_1.file_name");
/* If current_file_name is an empty string, assume no file
has been loaded */
if(strcmp(current_file_name, "") == 0)
title = XmStringCreateLocalized ("(no file loaded)");
else
title = XmStringCreateLocalized (current_file_name);
XtVaSetValues(temp_widget, XmNlabelString, title, NULL);
XmStringFree(title);
}
XtAddCallback (p_dialog, XmNmapCallback, place_dialog_cb, NULL);
XtManageChild (p_dialog);
XtPopup (XtParent (p_dialog), XtGrabNone);
break;
case 6:
cleanup_cb(toplevel, NULL, NULL); /* aro - cleanup before exit */
exit (0);
break;
}
}
void
file_type_cb(Widget widget, XtPointer client_data, XtPointer call_data)
{
file_type = (int) client_data;
}
void
export_type_cb(Widget widget, XtPointer client_data, XtPointer call_data)
{
export_type = (int) client_data;
}
void
merge_type_cb (Widget widget,
XtPointer client_data,
XtPointer call_data)
{
merge_type = (enum merge_types) client_data;
}
void
load_file_cb(Widget dialog, XtPointer client_data, XtPointer call_data)
{
void open_file(char *, Boolean);
/* aro - moved char file_name[1024] to char current_file_name[1024]
in globals.h */
char *file = NULL;
XmFileSelectionBoxCallbackStruct *cbs =
(XmFileSelectionBoxCallbackStruct *) call_data;
if (cbs) {
if (!XmStringGetLtoR (cbs->value, XmFONTLIST_DEFAULT_TAG, &file))
return; /* internal error */
/* Save directory shown in the dialog so that all the other file selection
dialogs could be made to operate the very same directory */
set_current_directory (cbs->dir);
/* save file name and open the file */
(void) strcpy(current_file_name, file);
open_file(current_file_name, FALSE);
XtFree (file); /* free allocated data from XmStringGetLtoR() */
}
XtUnmanageChild(dialog);
}
void
save_file_cb(Widget dialog, XtPointer client_data, XtPointer call_data)
{
void write_file(char *);
char *file_name, message_string[1024];
XmFileSelectionBoxCallbackStruct *cbs =
(XmFileSelectionBoxCallbackStruct *) call_data;
if (cbs) {
if (!XmStringGetLtoR (cbs->value, XmFONTLIST_DEFAULT_TAG, &file_name))
return; /* internal error */
/* Save directory shown in the dialog so that all the other file selection
dialogs could be made to operate the very same directory */
set_current_directory (cbs->dir);
/* Check if we can open the file */
if(fopen(file_name, "w") == NULL)
{
sprintf(message_string, "Cannot open %s for write", file_name);
echo_to_message_area(message_string);
}
else
{
write_file(file_name);
}
XtFree (file_name); /* free allocated data from XmStringGetLtoR() */
}
XtUnmanageChild(dialog);
}
void
merge_file_cb (Widget dialog,
XtPointer client_data,
XtPointer call_data)
{
double get_angle_axis(double *);
void open_file(char *, Boolean);
void rotate_atoms(double *,double,Boolean,Boolean);
void frame_content_to_atoms (int);
struct frame * get_selected_frame (void);
int i, j, merge_no_atoms;
char *file = NULL, buf[BUFSIZ], eof_string[32] = "";
char merge_file_name[1024], *temp_file_name;
double angle, axis[3];
Boolean eof_merge_file = False;
FILE *merge_file, *temp_file;
struct frame *this_frame;
XmFileSelectionBoxCallbackStruct *cbs =
(XmFileSelectionBoxCallbackStruct *) call_data;
if (cbs) {
if (!XmStringGetLtoR (cbs->value, XmFONTLIST_DEFAULT_TAG, &file))
return; /* internal error */
(void) strcpy (merge_file_name, file);
XtFree (file); /* free allocated data from XmStringGetLtoR() */
/* Save directory shown in the dialog so that all the other file
selection dialogs could be made to operate the very same directory */
set_current_directory (cbs->dir);
}
XtUnmanageChild(dialog);
merge_file = fopen (merge_file_name, "r");
if(merge_file == NULL)
{
sprintf(buf,"No file %s",gnu_basename(merge_file_name));
echo_to_message_area(buf);
return;
}
/* Set up temporary file */
temp_file_name = alloca (32);
strcpy (temp_file_name, "/tmp/xmakemol.XXXXXX");
temp_file = fdopen (mkstemp (temp_file_name), "w");
if(temp_file == NULL)
{
sprintf(buf,"Cannot open %s",temp_file_name);
echo_to_message_area(buf);
return;
}
/* Make sure none of this is drawn */
inhibit_canvas_callback = 1;
/* Reset the angle_axis_matrix */
for(i = 0; i < 3; i++)
{
for(j = 0; j < 3; j++)
{
angle_axis_matrix[i][j] = global_matrix[i][j];
}
}
/* Loop over frames */
for(i = 0; i < no_frames; i++)
{
int frame_visible_atoms;
int count_visible_atoms_in_frame (struct frame *);
/* Rewind the merge file if appropriate */
if (merge_type == MERGE_FRAME)
{
rewind (merge_file);
}
/* Check to see if we have reached the end of the merge file */
if (eof_merge_file == False)
{
(void)fgets(buf, sizeof (buf), merge_file);
if (feof (merge_file))
{
merge_no_atoms = 0;
eof_merge_file = True;
sprintf (eof_string, " - merge stopped after frame %d", i);
}
else
{
sscanf (buf, "%d", &merge_no_atoms);
/* Gobble the comment line */
(void)fgets (buf, sizeof (buf), merge_file);
}
}
frame_content_to_atoms (i);
this_frame = get_selected_frame();
frame_visible_atoms =
count_visible_atoms_in_frame (this_frame);
fprintf(temp_file, "%d\n", frame_visible_atoms + merge_no_atoms);
fprintf(temp_file, "%s\n", this_frame->comment);
angle = get_angle_axis(axis);
rotate_atoms(axis, angle, 0, False);
for(j = 0; j < no_atoms; j++)
{
if(atoms[j].visi == 1)
{
/* We need to add the global_vector component as there
may have been translations */
fprintf(temp_file,"%2s %12.6f %12.6f %12.6f\n",
atoms[j].label,
atoms[j].x + global_vector[0],
atoms[j].y + global_vector[1],
atoms[j].z + global_vector[2]);
}
}
/* Now insert the merged frame if available */
if (eof_merge_file == False)
{
for (j = 0; j < merge_no_atoms; j++)
{
(void)fgets (buf, sizeof (buf), merge_file);
fputs (buf, temp_file);
}
}
}
fclose(temp_file);
inhibit_canvas_callback = 0;
open_file(temp_file_name, FALSE);
sprintf(buf,"Files merged%s", eof_string);
echo_to_message_area(buf);
unlink (temp_file_name);
/* If the Edit->Positions dialog is open, make the merged atoms the
only ones that we can move */
if (edit_posn_dialog != NULL)
{
for (i = 0; i < no_atoms; i++)
{
if (i < no_atoms - (merge_no_atoms))
{
atoms[i].edit = 0;
}
}
}
}
void
export_file_cb(Widget dialog, XtPointer client_data, XtPointer call_data)
{
void export_file(char *);
char *file_name, message_string[1024];
XmFileSelectionBoxCallbackStruct *cbs =
(XmFileSelectionBoxCallbackStruct *) call_data;
if (cbs) {
if (!XmStringGetLtoR (cbs->value, XmFONTLIST_DEFAULT_TAG, &file_name))
return; /* internal error */
/* Save directory shown in the dialog so that all the other file selection
dialogs could be made to operate the very same directory */
set_current_directory (cbs->dir);
/* Check if we can open the file */
if(fopen(file_name, "w") == NULL)
{
sprintf(message_string, "Cannot open %s for write", file_name);
echo_to_message_area(message_string);
}
else
{
export_file(file_name);
}
XtFree (file_name); /* free allocated data from XmStringGetLtoR() */
}
XtUnmanageChild(dialog);
}
void
print_file_cb(Widget widget, XtPointer client_data, XtPointer call_data)
{
void write_eps(char *, FILE *, Boolean);
void echo_to_message_area(char *);
char *string, *temp_file_name, *p_name, *copies, p_command[1024];
const char printer_str[] = "%printer%",
numcopies_str[] = "%num_copies%",
filename_str[] = "%filename%";
char *printer_pos, *numcopies_pos, *filename_pos;
int num_copies, i, j;
Boolean print_color;
Widget temp_w, print_command = (Widget) client_data;
FILE * temp_f, *eps_file;
XmString errorMsg;
/* Get widget ID of color toggle */
temp_w = XtNameToWidget(widget, "rc_main.color/bw.color");
/* Get value of color toggle (true or false) */
XtVaGetValues(temp_w, XmNset, &print_color, NULL);
/* Create unique file name in /tmp */
temp_file_name = alloca (32);
strcpy (temp_file_name, "/tmp/xmakemol.XXXXXX");
eps_file = fdopen (mkstemp (temp_file_name), "w");
/* Write eps file to /tmp for printing */
write_eps ("", eps_file, print_color);
/* Get the name of the printer selected */
temp_w = XtNameToWidget(widget, "rc_main.rc_sub_2.p_name");
XtVaGetValues(temp_w, XmNvalue, &p_name, NULL);
/* Get the number of copies to be printed */
temp_w = XtNameToWidget(widget, "rc_main.rc_sub_3.num_copies");
XtVaGetValues(temp_w, XmNvalue, &copies, NULL);
num_copies = atoi(copies);
/* Determine whether user is printing in color or black & white */
temp_w = XtNameToWidget(widget, "rc_main.color/bw.color");
XtVaGetValues(temp_w, XmNset, &print_color, NULL);
if(strcmp(p_name, "(no default)") == 0 ||
strcmp(p_name, "") == 0)
{
echo_to_message_area("Print Error - No Printer Selected");
}
else if(!(temp_f = fopen(current_file_name, "r")))
{
echo_to_message_area("Print Error - No File Loaded");
}
else
{
fclose(temp_f);