181 |
{ |
{ |
182 |
|
|
183 |
double get_atom_radius(int); |
double get_atom_radius(int); |
184 |
void update_canvas_bond_points(int, int, Boolean); |
void update_canvas_bond_points(int, int, Boolean, double); |
185 |
|
|
186 |
|
|
187 |
XPoint bond_points[5]; |
XPoint bond_points[5]; |
188 |
|
|
189 |
update_canvas_bond_points(si, sj, 0); |
update_canvas_bond_points(si, sj, 0, 0.0); |
190 |
|
|
191 |
gcv.line_width=0; |
gcv.line_width=0; |
192 |
gcv.foreground=atoms[si].pixel; |
gcv.foreground=atoms[si].pixel; |
775 |
is covered using the Boolean variable ps_corr */ |
is covered using the Boolean variable ps_corr */ |
776 |
|
|
777 |
void |
void |
778 |
update_canvas_bond_points(int si, int sj, Boolean ps_corr) |
update_canvas_bond_points(int si, int sj, Boolean ps_corr, double offset) |
779 |
{ |
{ |
780 |
|
|
781 |
void convert_to_canvas_coords(double *, double *, Boolean); |
void convert_to_canvas_coords(double *, double *, Boolean); |
835 |
|
|
836 |
for(i=0; i < 3; i++) |
for(i=0; i < 3; i++) |
837 |
{ |
{ |
838 |
l[i] = a[i] + (atoms[si].cov_rad * local_at_scale * r[i]); |
if (local_at_scale != 0) |
839 |
m[i] = a[i] + a_prop * mod_r * r[i]; |
{ |
840 |
|
l[i] = a[i] + |
841 |
|
((atoms[si].cov_rad + (2.0 * offset)) * local_at_scale * r[i]); |
842 |
|
} |
843 |
|
else |
844 |
|
{ |
845 |
|
l[i] = a[i] + (offset * r[i]); |
846 |
|
} |
847 |
|
|
848 |
|
m[i] = a[i] + a_prop * (mod_r - offset) * r[i]; |
849 |
n[i] = b[i] - (atoms[sj].cov_rad * local_at_scale * r[i]); |
n[i] = b[i] - (atoms[sj].cov_rad * local_at_scale * r[i]); |
850 |
} |
} |
851 |
|
|
857 |
|
|
858 |
for(i = 0; i < 3; i++) |
for(i = 0; i < 3; i++) |
859 |
{ |
{ |
860 |
|
if ((i == 0) || (i == 1)) |
861 |
half_bond_width = (sb_wid * p[i] / 2.0); |
{ |
862 |
|
half_bond_width = ((sb_wid - (2.0 * offset)) * p[i] / 2.0); |
863 |
|
} |
864 |
|
else |
865 |
|
{ |
866 |
|
half_bond_width = (sb_wid * p[i] / 2.0); |
867 |
|
} |
868 |
|
|
869 |
cartesian_bond_points[0][i] = l[i] - half_bond_width; |
cartesian_bond_points[0][i] = l[i] - half_bond_width; |
870 |
cartesian_bond_points[1][i] = m[i] - half_bond_width; |
cartesian_bond_points[1][i] = m[i] - half_bond_width; |