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operations.c
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#include "operations.h"
#define DEBUG 1
typedef struct undo{
double x;
double y;
double z;
double alpha;
char label[4];
struct undo *previous;
}UNDO;
typedef struct undoreflect{
double vec1[3];
double vec2[3];
double ponto[3];
struct undoreflect *previous;
}UNDOREF;
void file_type_cb(Widget, XtPointer, XtPointer);
Widget ic[2], label, ux_text, uy_text, uz_text, vx_text, vy_text, vz_text, ref_vec_button, ax_text, ay_text, az_text, bx_text, by_text, bz_text, cx_text, cy_text, cz_text, ref_pt_button, trans_button, undo_trans_button, discard_trans_button, tx_text, ty_text, tz_text, rot_button, rot_button_tog, undo_rot_button, discard_rot_button, rax_text, ray_text, raz_text, rbx_text, rby_text, rbz_text, ralpha_text, file_type_w, zalpha, add_button, undo_add_button, discard_add_button, delete_button, undo_delete_button, discard_delete_button, inv_button, undo_inv_button, discard_inv_button, discard_ref_button, undo_ref_button, get_atoms_ref, get_atoms_ref_apply;
XmString title, as_all, as_fra, con_fra, aux;
int inv_counter, ref_counter;
int toggle_axis_rot_set=0;
int toggle_angle_rot_set=0;
static Widget reflection_dialog = NULL;
static Widget inversion_dialog = NULL;
static Widget rotation_dialog = NULL;
static Widget translation_dialog = NULL;
static Widget write_dialog = NULL;
static Widget add_dialog = NULL;
static Widget delete_dialog = NULL;
static Widget s_dialog;
double trans_global_vector[3], op_vector[3];
UNDO *undo_stack=NULL, *undor_stack=NULL, *undoa_stack=NULL, *undod_stack=NULL, *undoi_stack=NULL;
UNDOREF *undoref=NULL;
struct atoms sel_atoms[3];
double sel_vec1[3], sel_vec2[3];
/* Writes atoms to file, saving only the operation coordinates */
void write_file3(char *file_name){
struct frame * get_selected_frame (void);
struct frame *this_frame;
int i, no_visible_atoms;
FILE *f;
f = fopen(file_name, "w");
this_frame = get_selected_frame ();
no_visible_atoms = count_visible_atoms ();
fprintf (f, "%d\n", no_visible_atoms);
fprintf (f, "%s\n", this_frame->comment);
for(i=0;i<no_atoms;i++) if (atoms[i].visi) fprintf (f, "%2s %12.6f %12.6f %12.6f \n", atoms[i].label,atoms[i].opx,atoms[i].opy,atoms[i].opz);
fclose(f);
}
void write_file2(Widget dialog, XtPointer client_data, XtPointer call_data){
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_file3(file_name);
}
XtFree (file_name); /* free allocated data from XmStringGetLtoR() */
}
XtUnmanageChild(dialog);
}
void write_cb(Widget dialog, XtPointer client_data, XtPointer call_data){
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_file2(dialog, client_data, call_data);
}
XtFree (file_name); /* free allocated data from XmStringGetLtoR() */
}
XtUnmanageChild(dialog);
}
void deselect(){
int i;
for(i=0;i<no_atoms;i++) atoms[i].sel=False;
}
/* Creates operations menu */
void operations_cb(Widget widget, XtPointer client_data, XtPointer call_data){
int item_no=(int)client_data;
switch(item_no){
/*case 0:
make_reflection_dlg(main_w);
break;
*/
case 0:
make_inversion_dlg(main_w);
break;
case 1:
make_rotation_dlg(main_w);
break;
case 2:
make_translation_dlg(main_w);
break;
case 3:
if (!s_dialog) {
s_dialog = XmCreateFileSelectionDialog (toplevel, "file_sel", NULL, 0);
title=XmStringCreateLocalized ("Save File");
XtVaSetValues(s_dialog, XmNdialogTitle, title, NULL);
XtAddCallback(s_dialog, XmNokCallback, write_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;
break;
case 4:
make_add_atom_dlg(main_w);
case 5:
make_delete_dlg(main_w);
break;
default:
break;
}
}
/* Creates reflection window */
void make_reflection_dlg(Widget parent){
int n;
char *reflection_string = NULL;
XmString title;
ref_counter = 0;
undoref = NULL;
if(reflection_dialog == NULL)
{
title = XmStringCreateLocalized("Reflection");
n=0;
XtSetArg(args[n], XmNdialogTitle, title); n++;
reflection_dialog =
XmCreateMessageDialog(main_w, "reflection" ,args, n);
ic[0]=XtVaCreateManagedWidget
("ic",xmRowColumnWidgetClass,reflection_dialog,NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("Vectors + Point:",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("u",
xmLabelWidgetClass, ic[1],
NULL);
ux_text = XtVaCreateManagedWidget
("ux_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
uy_text = XtVaCreateManagedWidget
("uy_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
uz_text = XtVaCreateManagedWidget
("uz_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("v",
xmLabelWidgetClass, ic[1],
NULL);
vx_text = XtVaCreateManagedWidget
("vx_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
vy_text = XtVaCreateManagedWidget
("vy_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
vz_text = XtVaCreateManagedWidget
("vz_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("P",
xmLabelWidgetClass, ic[1],
NULL);
cx_text = XtVaCreateManagedWidget
("cx_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
cy_text = XtVaCreateManagedWidget
("cy_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
cz_text = XtVaCreateManagedWidget
("cz_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ref_vec_button = XtVaCreateManagedWidget
("Apply", xmPushButtonWidgetClass,
ic[1],
NULL);
XtAddCallback(ref_vec_button, XmNactivateCallback, ref_vec_button_cb, NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("Points:",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("A",
xmLabelWidgetClass, ic[1],
NULL);
ax_text = XtVaCreateManagedWidget
("ax_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
ay_text = XtVaCreateManagedWidget
("ay_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
az_text = XtVaCreateManagedWidget
("az_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("B",
xmLabelWidgetClass, ic[1],
NULL);
bx_text = XtVaCreateManagedWidget
("bx_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
by_text = XtVaCreateManagedWidget
("by_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
bz_text = XtVaCreateManagedWidget
("bz_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
label = XtVaCreateManagedWidget
("C",
xmLabelWidgetClass, ic[1],
NULL);
cx_text = XtVaCreateManagedWidget
("cx_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("X",
xmLabelWidgetClass, ic[1],
NULL);
cy_text = XtVaCreateManagedWidget
("cy_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Y",
xmLabelWidgetClass, ic[1],
NULL);
cz_text = XtVaCreateManagedWidget
("cz_text", xmTextFieldWidgetClass,
ic[1],
XmNcolumns, 8,
NULL);
label = XtVaCreateManagedWidget
("Z",
xmLabelWidgetClass, ic[1],
NULL);
ref_vec_button = XtVaCreateManagedWidget
("Apply", xmPushButtonWidgetClass,
ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
get_atoms_ref = XtVaCreateManagedWidget
("Get atoms", xmPushButtonWidgetClass,
ic[1],
NULL);
ic[1]=XtVaCreateManagedWidget
("epd_ic1",
xmRowColumnWidgetClass,ic[0],
XmNorientation, XmHORIZONTAL,
NULL);
discard_ref_button = XtVaCreateManagedWidget
("Discard all changes", xmPushButtonWidgetClass,
ic[1],
NULL);
undo_ref_button = XtVaCreateManagedWidget
("Undo last change", xmPushButtonWidgetClass,
ic[1],
NULL);
XtAddCallback(get_atoms_ref, XmNactivateCallback, get_atoms_cb, NULL);
XtAddCallback(discard_ref_button, XmNactivateCallback, discard_ref_button_cb, NULL);
XtAddCallback(undo_ref_button, XmNactivateCallback, undo_ref_button_cb, NULL);
XtAddCallback(reflection_dialog, XmNcancelCallback, cancel_ref_cb, NULL);
XtAddCallback(reflection_dialog, XmNokCallback, ok_ref_cb, NULL);
XtAddCallback(ref_vec_button, XmNactivateCallback, ref_pt_button_cb, NULL);
XmStringFree(title);
XtUnmanageChild
(XmMessageBoxGetChild(reflection_dialog, XmDIALOG_HELP_BUTTON));
}
XtManageChild(reflection_dialog);
}
/* Normalizes a vector */
void normaliza(double *vec, double *norm){
int modulo;
modulo = sqrt((pow(vec[0],2)) + (pow(vec[1],2)) + (pow(vec[2],2)));
norm[0] = vec[0]/modulo;
norm[1] = vec[1]/modulo;
norm[2] = vec[2]/modulo;
}
double rotaz(double alpha, double ponto[3]){
double module,vunit[3],z;
int i=0,counter=0;
long double pi = 3.1415926535897932384626433832795028841971693993751058209749;
puts("------------------ROTAZ-------------------\n");
if(DEBUG) printf("rotazArgumentos: alpha=%f, ponto(%f,%f,%f)\n",alpha,ponto[0],ponto[1], ponto[2]);
module = sqrt((pow(op_vector[0],2)) + (pow(op_vector[1],2)) + (pow(op_vector[2],2)));
if(DEBUG) printf("module=%f\n",module);
vunit[0] = op_vector[0];
vunit[1] = op_vector[1];
vunit[2] = op_vector[2];
if(DEBUG) printf("vunit(%f,%f,%f)\n",vunit[0],vunit[1],vunit[2]);
z = ponto[0]*(((vunit[0])*(vunit[2])*(1-(cos(alpha))))-((vunit[1])*(sin(alpha)))) + ponto[1]*(((vunit[1])*(vunit[2])*(1-(cos(alpha))))+((vunit[0])*(sin(alpha)))) + ponto[2]*((pow(vunit[2],2))+((1-(pow(vunit[2],2)))*cos(alpha)));
if(DEBUG) printf("z=%f\n",z);
return(z);
}
/* Reflects atoms */
void reflect_atoms(double *vec1, double *vec2, double ponto[3]){
double cross_product[3], coseno, alpha, cross_mod, k[3], interno, cross_product2[3];
double vec[3],newz;
int i;
UNDOREF *aux=NULL;
ref_counter++;
if(!undoref){
undoref = (UNDOREF *) malloc(sizeof(UNDOREF));
undoref->previous = NULL;
undoref->vec1[0] = vec1[0];
undoref->vec1[1] = vec1[1];
undoref->vec1[2] = vec1[2];
undoref->vec2[0] = vec2[0];
undoref->vec2[1] = vec2[1];
undoref->vec2[2] = vec2[2];
undoref->ponto[0] = ponto[0];
undoref->ponto[1] = ponto[1];
undoref->ponto[2] = ponto[2];
}
else{
aux = (UNDOREF *) malloc(sizeof(UNDOREF));
aux->vec1[0] = vec1[0];
aux->vec1[1] = vec1[1];
aux->vec1[2] = vec1[2];
aux->vec2[0] = vec2[0];
aux->vec2[1] = vec2[1];
aux->vec2[2] = vec2[2];
undoref->ponto[0] = ponto[0];
undoref->ponto[1] = ponto[1];
undoref->ponto[2] = ponto[2];
aux->previous = undoref;
undoref = aux;
}
if(DEBUG) puts("------------------REFLECTION-------------------\n");
if(DEBUG) printf("reflectArgs: vec1(%f,%f,%f) vec2(%f,%f,%f) ponto(%f,%f,%f)\n",vec1[0],vec1[1],vec1[2],vec2[0],vec2[1],vec2[2],ponto[0],ponto[1],ponto[2]);
k[0]=0.0;
k[1]=0.0;
k[2]=1.0;
cross_product[0] = (vec1[1]*vec2[2]) - (vec1[2]*vec2[1]);
cross_product[1] = (vec1[2]*vec2[0]) - (vec1[0]*vec2[2]);
cross_product[2] = (vec1[0]*vec2[1]) - (vec1[1]*vec2[0]);
if(DEBUG) printf("cross_product(%f,%f,%f)\n",cross_product[0],cross_product[1],cross_product[2]);
cross_mod = sqrt((pow(cross_product[0],2)) + (pow(cross_product[1],2)) + (pow(cross_product[2],2)));
if(DEBUG) printf("cross_mod=%f\n",cross_mod);
if(cross_mod==0) return;
// normalizar ???
cross_product[0] = cross_product[0]/cross_mod;
cross_product[1] = cross_product[1]/cross_mod;
cross_product[2] = cross_product[2]/cross_mod;
interno = cross_product[2];
if(DEBUG) printf("interno=%f\n",interno);
coseno = interno/cross_mod;
if(DEBUG) printf("coseno=%f\n",coseno);
alpha = acos(coseno);
if(DEBUG) printf("alpha=%f\n",alpha);
cross_product2[0] = cross_product[1];
cross_product2[1] = cross_product[0]*(-1);
cross_product2[2] = 0;
if(DEBUG) printf("cross_product2(%f,%f,%f)\n",cross_product2[0],cross_product2[1],cross_product2[2]);
op_vector[0] = cross_product2[0];
op_vector[1] = cross_product2[1];
op_vector[2] = cross_product2[2];
if(cross_product2[0]==0 && cross_product2[1]==0){
op_vector[2]=1;
alpha=0;
}
newz=rotaz(alpha,ponto);
if(DEBUG) printf("newz=%f\n",newz);
vec[0]=0.0;
vec[1]=0.0;
vec[2]=-newz;
/* A reflection is achieved with a rotation followed by a translation */
rot_ate(alpha,0);
translate(vec);
// falta fazer apenas para a seleccao
for(i=0;i<no_atoms;i++){
atoms[i].z*=(-1);
atoms[i].opz*=(-1);
}
vec[2]=newz;
translate(vec);
rot_ate(-alpha,0);
atoms_sorted=0; /* Depths have changed */
redraw=1;
deactivate_region();
clear_message_area();
canvas_cb(canvas,NULL,NULL);
update_lengths_dialog(False);
}
/* Parses reflection data and reflects (vector)*/
void ref_vec_button_cb(Widget widget, XtPointer client_data, XtPointer call_data){
char *ux, *uy, *uz, *vx, *vy, *vz, *cx, *cy, *cz;
double ax2, ay2, az2, bx2, by2, bz2, cx2, cy2, cz2;
double vec1[3], vec2[3], ponto[3];
XtVaGetValues(ux_text, XmNvalue, &ux, NULL);
ax2 = (ux)?atof(ux):0;
XtVaGetValues(uy_text, XmNvalue, &uy, NULL);
ay2 = (uy)?atof(uy):0;
XtVaGetValues(uz_text, XmNvalue, &uz, NULL);
az2 = (uz)?atof(uz):0;
XtVaGetValues(vx_text, XmNvalue, &vx, NULL);
bx2 = (vx)?atof(vx):0;
XtVaGetValues(vy_text, XmNvalue, &vy, NULL);
by2 = (vy)?atof(vy):0;
XtVaGetValues(vz_text, XmNvalue, &vz, NULL);
bz2 = (vz)?atof(vz):0;
XtVaGetValues(cx_text, XmNvalue, &cx, NULL);
cx2 = (cx)?atof(cx):0;
XtVaGetValues(cy_text, XmNvalue, &cy, NULL);
cy2 = (cy)?atof(cy):0;
XtVaGetValues(cz_text, XmNvalue, &cz, NULL);
cz2 = (cz)?atof(cz):0;
vec1[0] = ax2;
vec1[1] = ay2;
vec1[2] = az2;
vec2[0] = bx2;
vec2[1] = by2;
vec2[2] = bz2;
ponto[0] = cx2;
ponto[1] = cy2;
ponto[2] = cz2;
reflect_atoms(vec1,vec2, ponto);
free(ux);
free(uy);
free(uz);
free(vx);
free(vy);
free(vz);
free(cx);
free(cy);
free(cz);
}
/* Parses reflection data and reflects (points)*/
void ref_pt_button_cb(Widget widget, XtPointer client_data, XtPointer call_data){
char *ax, *ay, *az, *bx, *by, *bz, *cx, *cy, *cz;
double ax2, ay2, az2, bx2, by2, bz2, cx2, cy2, cz2;
double vec1[3], vec2[3], ponto[3];
int i;
XtVaGetValues(ax_text, XmNvalue, &ax, NULL);
ax2 = (ax)?atof(ax):0;
XtVaGetValues(ay_text, XmNvalue, &ay, NULL);
ay2 = (ay)?atof(ay):0;
XtVaGetValues(az_text, XmNvalue, &az, NULL);
az2 = (az)?atof(az):0;
XtVaGetValues(bx_text, XmNvalue, &bx, NULL);
bx2 = (bx)?atof(bx):0;
XtVaGetValues(by_text, XmNvalue, &by, NULL);
by2 = (by)?atof(by):0;
XtVaGetValues(bz_text, XmNvalue, &bz, NULL);
bz2 = (bz)?atof(bz):0;
XtVaGetValues(cx_text, XmNvalue, &cx, NULL);
cx2 = (cx)?atof(cx):0;
XtVaGetValues(cy_text, XmNvalue, &cy, NULL);
cy2 = (cy)?atof(cy):0;
XtVaGetValues(cz_text, XmNvalue, &cz, NULL);
cz2 = (cz)?atof(cz):0;
create_vector_points(bx2, by2, bz2, ax2, ay2, az2);
for(i=0;i<3;i++) vec1[i]=op_vector[i];
create_vector_points(bx2, by2, bz2, cx2, cy2, cz2);
for(i=0;i<3;i++) vec2[i]=op_vector[i];
ponto[0] = bx2;
ponto[1] = by2;
ponto[2] = bz2;
reflect_atoms(vec1, vec2, ponto);
free(ax);
free(ay);
free(az);
free(bx);
free(by);
free(bz);
free(cx);
free(cy);
free(cz);
}
/* Discards last reflection */
void undo_ref_button_cb(Widget widget, XtPointer client_data, XtPointer call_data){
UNDOREF *undo_aux=NULL;
if(ref_counter<=0) return;
ref_counter--;
reflect_atoms(undoref->vec1, undoref->vec2, undoref->ponto);
ref_counter--;
undo_aux = undoref;
undoref = undoref->previous;
free(undo_aux);
atoms_sorted=0; /* Depths have changed */
redraw=1;
deactivate_region();
clear_message_area();
canvas_cb(canvas,NULL,NULL);
update_lengths_dialog(False);
}
/* Discards all reflections */
void discard_ref_button_cb(Widget widget, XtPointer client_data, XtPointer call_data){
if(ref_counter==0) return;
while(ref_counter) {
ref_counter++;
undo_ref_button_cb(widget, client_data, call_data);
ref_counter--;
}
ref_counter=0;
atoms_sorted=0; /* Depths have changed */
redraw=1;
deactivate_region();
clear_message_area();
canvas_cb(canvas,NULL,NULL);
update_lengths_dialog(False);
}
/* Exits reflection window and discards all reflections */
void cancel_ref_cb(Widget widget, XtPointer client_data, XtPointer call_data){
discard_ref_button_cb(widget, client_data, call_data);
}
/* Exits reflection window */
void ok_ref_cb(Widget widget, XtPointer client_data, XtPointer call_data){
UNDOREF *undo_aux=NULL;
while(undoref){
undo_aux = undoref;
undoref = undoref->previous;
free(undo_aux);
}
}
/* Reflects and resets global variables */
void get_atoms_ready_cb(Widget widget, XtPointer client_data, XtPointer call_data){
int i=0;
double point[3];
point[0]=sel_atoms[0].x;
point[1]=sel_atoms[0].y;
point[2]=sel_atoms[0].z;
reflect_atoms(sel_vec1, sel_vec2, point);
for(;i<3;i++){
sel_vec1[i]=0;
sel_vec2[i]=0;
}
}
/* Parses input data and warns if all atoms will be afected */
void all_atoms_warning(Widget widget, XtPointer client_data, XtPointer call_data){
char *text2 = "All atoms will be reflected!" ;
int n,i,counter;
static Widget select_dialog = NULL;
XmString msg,title;
for(i=0,counter=0;i<no_atoms && !counter;i++){
if(atoms[i].sel==True){
sel_atoms[0]=atoms[i];
counter++;
}
}
if(!counter){
title = XmStringCreateLocalized("Atoms selection");
n=0;
XtSetArg(args[n], XmNdialogTitle, title); n++;
msg = XmStringCreateLtoR(text2, XmFONTLIST_DEFAULT_TAG);
XtSetArg(args[n], XmNmessageString, msg); n++;
select_dialog =
XmCreateInformationDialog(widget, "select" ,args, n);
XmStringFree(title);
XtAddCallback (select_dialog, XmNokCallback, get_atoms_ready_cb, NULL);
XtAddCallback (select_dialog, XmNcancelCallback, get_atoms_cb, NULL);
XtUnmanageChild
(XmMessageBoxGetChild(select_dialog, XmDIALOG_HELP_BUTTON));
}else get_atoms_ready_cb(widget,client_data,call_data);
XtManageChild(select_dialog);
}
/* Searches for selected atoms */
void get_selected_atoms(Widget widget, XtPointer client_data, XtPointer call_data){
char *text2 = "Select the atoms that will suffer the reflection (for all the atoms, select none) and click 'OK'" ;
int i=0,counter=0;
static Widget select_dialog = NULL;
int n;
XmString msg,title;
/* Check if 3 and only 3 atoms were checked */
for(i=0,counter=0;i<no_atoms;i++){
if(atoms[i].sel==True){
if(counter<3){
sel_atoms[counter]=atoms[i];
counter++;
}
else counter++;
}
}
if(counter!=3){
title = XmStringCreateLocalized("Atoms selection");
n=0;
XtSetArg(args[n], XmNdialogTitle, title); n++;
msg = XmStringCreateLtoR("You need to select 3 (and only 3) atoms!", XmFONTLIST_DEFAULT_TAG);
XtSetArg(args[n], XmNmessageString, msg); n++;
select_dialog =
XmCreateErrorDialog(widget, "select" ,args, n);
XmStringFree(title);
XtAddCallback (select_dialog, XmNokCallback,get_atoms_cb, NULL);
XtUnmanageChild
(XmMessageBoxGetChild(select_dialog, XmDIALOG_HELP_BUTTON));
}else{
create_vector_points(sel_atoms[1].x, sel_atoms[1].y, sel_atoms[1].z, sel_atoms[0].x, sel_atoms[0].y, sel_atoms[0].z);
for(i=0;i<3;i++) sel_vec1[i]=op_vector[i];
create_vector_points(sel_atoms[1].x, sel_atoms[1].y, sel_atoms[1].z, sel_atoms[2].x, sel_atoms[2].y, sel_atoms[2].z);
for(i=0;i<3;i++) sel_vec2[i]=op_vector[i];
if(select_dialog == NULL)
{
title = XmStringCreateLocalized("Atoms selection");
n=0;
XtSetArg(args[n], XmNdialogTitle, title); n++;
msg = XmStringCreateLtoR(text2, XmFONTLIST_DEFAULT_TAG);
XtSetArg(args[n], XmNmessageString, msg); n++;
select_dialog =
XmCreateInformationDialog(widget, "select" ,args, n);
XmStringFree(title);
XtAddCallback (select_dialog, XmNokCallback, all_atoms_warning, NULL);
XtUnmanageChild