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/* ------- subroutines to set ball and stick mode --------- */
void HCballFull()
{
if (color)
fprintf(outfp,
"/BALL { 0 360 arc"
" gsave setrgbcolor fill grestore stroke } bind def\n");
else
fprintf(outfp,
"/BALL { 0 360 arc"
" gsave setgray fill grestore stroke } bind def\n");
}
void HCballWire()
{
fprintf(outfp,
"/BALL { 0 360 arc pop stroke } bind def\n");
}
void HCballShadow(float gray, float wid)
{
fprintf(outfp,
"/BALL { 0 360 arc\n "
" gsave %.2f setgray %.2f setlinewidth stroke grestore\n"
" gsave setgray fill grestore\n"
" stroke } bind def\n", gray, wid);
}
void HCstickFull()
{
fprintf(outfp,
"/STICK { CP gsave setgray fill grestore stroke } bind def\n");
}
void HCstickShadow(float gray, float wid)
{
fprintf(outfp,
"/STICK { CP\n"
"gsave %.2f setgray %.2f setlinewidth stroke grestore\n"
"gsave setgray fill grestore\n"
"stroke } bind def\n", gray, wid);
}
void HCstickWire()
{
fprintf(outfp,
"/STICK { CPW pop stroke } bind def\n");
}
void HCstickLine()
{
fprintf(outfp,
"/STICK { CP0 gsave setgray stroke grestore newpath} bind def\n");
}
void HCstickLineShadow(float gray, float wid)
{
fprintf(outfp,
"/STICK { CP0 \n"
"gsave %.2f setgray %.2f setlinewidth stroke grestore\n"
"gsave setgray stroke grestore \n"
"newpath} bind def\n", gray, wid);
}
void HCdbond()
{
fprintf(outfp, "/XDB { } bind def\n");
}
void HCdbondShadow(float gray, float wid)
{
fprintf(outfp,
"/XDB { gsave %.2f setgray %.2f setlinewidth\n"
"stroke grestore } bind def\n", gray, wid);
}
/* ----- hardcopy_init ------ */
void hardcopy_init(char outname[])
{
if((outfp = fopen (outname,"w")) == NULL) {
printf("Cannot open output file\n"); exit (1);}
fprintf(outfp,
"%%!PS-Adobe-3.0\n"
"%%%%Creator: bs\n"
"%%%%Pages: 1\n"
"%%%%EndComments\n"
"%%%%BeginPageSetup\n"
"%%%%Page: 1 1\n"
" 15 15 translate\n"
"%%%%PageOrientation: Landscape\n"
" 90 rotate 0 -580 translate\n"
"/CP { %% Full cylinder path. Args: [CM1] [CM2]\n"
" exch matrix currentmatrix exch concat 0 0 1 90 270 arc\n"
" setmatrix matrix currentmatrix exch concat 0 0 1 -90 90 arc\n"
" closepath setmatrix } bind def\n"
"/CP0 {\n"
" exch matrix currentmatrix exch concat 0 0 moveto\n"
" setmatrix matrix currentmatrix exch concat\n"
" 0 0 lineto setmatrix } bind def\n"
"/CPW {\n"
"exch matrix currentmatrix exch concat 0 0 1 90 630 arc\n"
"setmatrix matrix currentmatrix exch concat\n"
"0 0 1 -90 450 arc closepath setmatrix } bind def\n"
"/LAB { gsave 3 copy /Courier 9 selectfont\n"
"1 setgray 10 setlinewidth 1 setlinecap 3 add exch 2 add exch\n"
"moveto stringwidth exch 4 sub exch rlineto stroke\n"
"0 setgray moveto show grestore} bind def\n");
fprintf(outfp,
"/LNE { moveto lineto stroke } bind def \n"
"/DSH { gsave [2 5] 0 setdash moveto lineto stroke grestore} bind def\n");
/* "/LAB { gsave 1 setgray 2 copy 1 sub exch 1 sub exch 20 8 rectfill\n"
" /Courier 9 selectfont 0 setgray\n"
" moveto show grestore} bind def\n"); */
if (wire) {
HCballWire();
HCstickWire();
}
else {
if (shadow) {
HCballShadow(1.0, 4.0);
if (bline) HCstickLineShadow(1.0, 4.0);
else HCstickShadow(1.0, 4.0);
}
else {
HCballFull();
if (bline) HCstickLine();
else HCstickFull();
}
}
if (shadow) HCdbondShadow(1.0, 4.0);
else HCdbond();
fprintf(outfp, "%%%%EndPageSetup\n");
}
/* ----- hardcopy_redefine ------ */
void hardcopy_redefine()
{
if (wire) {
HCballWire();
HCstickWire();
}
else {
if (shadow) {
HCballShadow(1.0, 4.0);
if (bline) HCstickLineShadow(1.0, 4.0);
else HCstickShadow(1.0, 4.0);
}
else {
HCballFull();
if (bline) HCstickLine();
else HCstickFull();
}
}
if (shadow) HCdbondShadow(1.0, 4.0);
else HCdbond();
}
/* ------ hardcopy_ball, hardcopy_stick ----- */
void hardcopy_ball(float gray, float r, float g, float b, float x, float y, float rad)
{
if (color)
fprintf(outfp, "%.2f %.2f %.2f %8.1f%8.1f%8.1f BALL\n", r, g, b,
x+midx/PSFAC, y+600-midy/PSFAC, rad);
else
fprintf(outfp, "%6.2f%8.1f%8.1f%8.1f BALL\n", gray,
x+midx/PSFAC, y+600-midy/PSFAC, rad);
}
void hardcopy_label(float x, float y, char *str)
{
int sh;
sh = 2.2*strlen(str);
fprintf(outfp, "(%s) %7.2f %7.2f LAB\n", str,
x+midx/PSFAC-sh,y+600-midy/PSFAC-2);
}
void hardcopy_stick(float gray, float m1[6], float m2[6])
{
fprintf(outfp,
"%6.2f [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ]\n",
gray,
m1[0], m1[1], m1[2], m1[3],
m1[4]+midx/PSFAC, m1[5]+600-midy/PSFAC);
fprintf(outfp,
" [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] STICK\n",
m2[0], m2[1], m2[2], m2[3],
m2[4]+midx/PSFAC, m2[5]+600-midy/PSFAC);
}
/* ------ hardcopy_xline ----- */
void hardcopy_line(x1,y1,x2,y2,dash)
float x1,y1,x2,y2;
int dash;
{
if (dash)
fprintf(outfp, "%7.1f %7.1f %7.1f %7.1f DSH\n",
x1+midx/PSFAC, y1+600-midy/PSFAC,
x2+midx/PSFAC, y2+600-midy/PSFAC);
else
fprintf(outfp, "%7.1f %7.1f %7.1f %7.1f LNE\n",
x1+midx/PSFAC, y1+600-midy/PSFAC,
x2+midx/PSFAC, y2+600-midy/PSFAC);
}
/* ----- hardcopy_close ------ */
void hardcopy_close()
{
fprintf(outfp,
"showpage\n"
"%%%%EOF\n");
fclose(outfp);
}
void hardcopy_xdbond(float gray, float m1[6], float m2[6], float alf)
{
fprintf(outfp," matrix currentmatrix");
fprintf(outfp," [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat\n",
m1[0], m1[1], m1[2], m1[3], m1[4], m1[5]);
fprintf(outfp," 0 0 1 %7.2f %7.2f arc setmatrix\n",
90+alf, 270-alf);
fprintf(outfp," matrix currentmatrix");
fprintf(outfp," [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat\n",
m2[0], m2[1], m2[2], m2[3], m2[4], m2[5]);
fprintf(outfp," 0 0 1 %7.2f %7.2f arc closepath setmatrix XDB \n",
-90-alf, 90+alf);
fprintf(outfp," gsave %6.2f setgray fill grestore stroke\n",
gray);
}
void hardcopy_ydbond(float gray, float m1[6], float m2[6], float alf)
{
fprintf(outfp," matrix currentmatrix");
fprintf(outfp," [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat\n",
m2[0], m2[1], m2[2], m2[3], m2[4], m2[5]);
fprintf(outfp," 0 0 1 0 360 arc setmatrix XDB\n");
fprintf(outfp," gsave %6.2f setgray fill grestore stroke\n",
gray);
}
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