/* Rotate viewport as V' = R*V but letting the anchor stay at the same place */
void rotate (int iw, double R[3][3])
{
double V0[3][3], s[3], tmp[3];
if (n[iw].anchor >= 0)
{
V3SUB (B->BALL[n[iw].anchor].x, AX_3D[iw].x, tmp);
M3mV3 (AX_3D[iw].V, tmp, s);
}
else
{
V3SUB (n[iw].hook, AX_3D[iw].x, tmp);
M3mV3 (AX_3D[iw].V, tmp, s);
}
M3EQV (AX_3D[iw].V, V0);
V3mM3 (R[0], V0, AX_3D[iw].V[0]);
V3mM3 (R[1], V0, AX_3D[iw].V[1]);
V3NORMALIZE (AX_3D[iw].V[1], tmp[0]);
/* ensure the orthogonality numerically */
V3CROSS (AX_3D[iw].V[0], AX_3D[iw].V[1], AX_3D[iw].V[2]);
V3NORMALIZE (AX_3D[iw].V[2], tmp[0]);
V3CROSS (AX_3D[iw].V[1], AX_3D[iw].V[2], AX_3D[iw].V[0]);
if (n[iw].anchor >= 0)
{
V3mM3 (s, AX_3D[iw].V, tmp);
V3SUB (B->BALL[n[iw].anchor].x, tmp, AX_3D[iw].x);
}
else
{
V3mM3 (s, AX_3D[iw].V, tmp);
V3SUB (n[iw].hook, tmp, AX_3D[iw].x);
}
return;
} /* end rotate() */
/* Return z>0 if there is intersection, -1 otherwise. */
double Eyesight_Intersect_H_Surface
(double H[3][3], int surface_id,
double x0[3], double V[3][3], double k0, double k1,
double s[3], double x[3])
{
int i;
double b[3], M[3][3], MI[3][3], tmp;
i = surface_id / 2;
if (surface_id % 2) V3SUB(x0,H[i],b);
else V3EQV(x0,b);
M3EQV(H,M);
V3NEG(V[2],M[i]);
V3SUBmuL(M[i],k0,V[0]);
V3SUBmuL(M[i],k1,V[1]);
tmp = M3DETERMINANT(M);
if (ISTINY(tmp)) return(-1);
M3INV(M,MI,tmp);
V3mM3(b,MI,s);
tmp = s[i];
s[i] = surface_id % 2;
V3mM3 (s,H,x);
return (tmp);
} /* end Eyesight_Intersect_H_Surface() */
static int tag_atoms_in_monoclinic_filter
(V3 origin, M3 HH, double height, double xytolerance,
int *selected, char *taglist)
{
register int i;
M3 HHH, HHHI;
double dx[4], ds[3];
M3EQV (HH, HHH);
V3MuL (height, HHH[2]);
M3inv (HHH, HHHI);
selected[0] = 0;
selected[1] = 0;
for (i=np; i--;)
{
V3SUB (B->BALL[i].x, origin, dx);
V3mM3 (dx, HHHI, ds);
if ( XIN(ds[0],-xytolerance,1+xytolerance) &&
XIN(ds[1],-xytolerance,1+xytolerance) &&
XIN(ds[2],-0.5,0.5) )
{
if (ds[2] < 0)
{
selected[0]++;
taglist[i] = 1;
}
else
{
selected[1]++;
taglist[i] = 2;
}
}
else taglist[i] = 0;
}
return(selected[0]+selected[1]);
} /* end tag_atoms_in_monoclinic_filter() */
bool print_status (int iw)
{
int i;
double x[3], V[3][3];
SimpleStatistics ss;
/* xterm_get_focus(iw); */
for (i=0; i<CONFIG_num_auxiliary; i++)
{
CalculateSimpleStatistics
(np, CHARP(CONFIG_auxiliary[i]), sizeof(double),
IOVAL_DOUBLE, &ss);
printf("\nauxiliary[%d]=%s [%s], threshold=[%g, %g]\n", i,
CONFIG_auxiliary_name[i], CONFIG_auxiliary_unit[i],
n[iw].auxiliary_threshold[i][0],
n[iw].auxiliary_threshold[i][1]);
printf("[%g(%d), %g(%d)], avg=%g, std.dev.=%g\n",
ss.min, ss.idx_min, ss.max, ss.idx_max,
ss.average, ss.standard_deviation);
}
printf("\n======================= Status of Viewport #%d "
"=======================\n",iw);
V3EQV (AX_3D[iw].x, x);
V3pr ("Viewpoint is at %M A,\n", x);
M3inv (H, V);
V3mM3 (AX_3D[iw].x, V, x);
V3pr("in reduced coordinates it is %M;\n", x);
M3EQV(AX_3D[iw].V, V); S3PR("viewport axes = %M;\n", V);
printf ("window width = %d, height = %d pixels,\n",
AX_size[iw].width, AX_size[iw].height);
printf ("and conversion factor is %g pixel/radian,\n", AX_3D[iw].k);
printf ("which converts to %g x %g degrees of field of view.\n",
RADIAN_TO_DEGREE(2*atan(AX_size[iw].width/2/AX_3D[iw].k)),
RADIAN_TO_DEGREE(2*atan(AX_size[iw].height/2/AX_3D[iw].k)));
printf ("The viewport is now anchored to %s",
(n[iw].anchor>=0)? "atom" : "hook" );
if (n[iw].anchor >= 0) print_atom(iw,n[iw].anchor);
else
{
M3inv (H, V);
V3mM3 (n[iw].hook, V, x);
printf("\nx = [%g %g %g] A, or s = [%g %g %g].\n", n[iw].hook[0],
n[iw].hook[1], n[iw].hook[2], x[0], x[1], x[2]);
}
printf("parallel projection mode is turned %s.\n",
n[iw].parallel_projection?"ON":"OFF");
printf("term printout suppression is turned %s.\n",
n[iw].suppress_printout?"ON":"OFF");
V3pr ("background color = %M.\n", n[iw].bgcolor);
printf ("atom r_ratio = %f, bond radius = %f A.\n",
n[iw].atom_r_ratio, n[iw].bond_radius);
printf("bond mode is turned %s.\n", n[iw].bond_mode?"ON":"OFF");
printf("system average IS%s subtracted off from atomistic strains.\n",
shear_strain_subtract_mean ? "" : "N'T");
printf("wireframe mode is %s.\n",
(n[iw].wireframe_mode==WIREFRAME_MODE_CONTRAST)?"CONTRAST":
(n[iw].wireframe_mode==WIREFRAME_MODE_NONE)?"NONE":
(n[iw].wireframe_mode==WIREFRAME_MODE_RGBO)?"RGBO":
(n[iw].wireframe_mode==WIREFRAME_MODE_RGBK)?"RGBK":
(n[iw].wireframe_mode==WIREFRAME_MODE_RGB)?"RGB":
"UNKNOWN");
if (n[iw].xtal_mode)
{
printf ("Xtal mode is turned ON:\n");
V3mM3 (n[iw].xtal_origin, HI, x);
V3TRIM (x, x);
V3pr ("xtal_origin = %M.\n", x);
}
else printf ("Xtal mode is turned OFF.\n");
printf ("color mode = %s.\n",
(n[iw].color_mode==COLOR_MODE_NORMAL)? "NORMAL" :
(n[iw].color_mode==COLOR_MODE_COORD)? "COORDINATION" :
(n[iw].color_mode==COLOR_MODE_AUXILIARY)? "Auxiliary Properties" :
(n[iw].color_mode==COLOR_MODE_SCRATCH)? "SCRATCH" : "UNKNOWN");
if (n[iw].shell_viewer_mode)
printf("Shell viewer auto-invoke is turned ON.\n");
else printf("Shell viewer auto-invoke is turned OFF.\n");
printf("s[%d]=%d surface is now seen or selected.\n",
n[iw].last_surface_id/2, n[iw].last_surface_id%2);
if (rcut_patching)
printf ("Neighbor distance cutoff between %s = %g.\n",
rcut_patch_pairname, rcut_patch[rcut_patch_item].rcut);
printf ("rate of change = %g.\n", n[iw].delta);
if (n[iw].color_mode==COLOR_MODE_AUXILIARY)
{
i = n[iw].auxiliary_idx;
if (i < CONFIG_num_auxiliary)
printf("auxiliary[%d] = %s [%s], threshold = [%g, %g],\n", i,
CONFIG_auxiliary_name[i], CONFIG_auxiliary_unit[i],
n[iw].auxiliary_threshold[i][0],
n[iw].auxiliary_threshold[i][1]);
else printf("auxiliary = %s, threshold = [%g, %g],\n",
geolist[i-CONFIG_MAX_AUXILIARY].token,
n[iw].auxiliary_threshold[i][0],
n[iw].auxiliary_threshold[i][1]);
CalculateSimpleStatistics
(np, CHARP(INW(n[iw].auxiliary_idx,CONFIG_num_auxiliary) ?
CONFIG_auxiliary[i] : geo[i-CONFIG_MAX_AUXILIARY]),
sizeof(double), IOVAL_DOUBLE, &ss);
printf("[%g(%d),%g(%d)], avg=%g, std.dev.=%g,\n",
ss.min, ss.idx_min, ss.max, ss.idx_max,
ss.average, ss.standard_deviation);
printf("auxiliaries' colormap = %s \"%s\".\n",
AX_cmap_funs[n[iw].auxiliary_cmap].name,
AX_cmap_funs[n[iw].auxiliary_cmap].description);
printf("invisible outside auxiliary thresholds flag = %s.\n",
n[iw].auxiliary_thresholds_saturation?"OFF":"ON");
printf("floating auxiliary thresholds flag = %s.\n",
n[iw].auxiliary_thresholds_rigid?"OFF":"ON");
}
printf ("clicked atoms = [ ");
for (i=0; i<ATOM_STACK_SIZE; i++) printf ("%d ", n[iw].atom_stack[i]);
printf ("];\n");
for (i=0; i<AX_3D_MAX_FILTER_PLANE; i++)
if (AX_V3NEZERO(AX_3D[iw].fp[i].dx))
printf("%s fp %d: dx = [%g %g %g], s = [%g %g %g]\n",
(n[iw].just_activated_fp==i) ? "*" : " ",
i, V3E(AX_3D[iw].fp[i].dx), V3E(n[iw].fp[i].s0));
printf("=============================================="
"=======================\n");
return(FALSE);
} /* end print_status() */
