void leg_continuous(t_psdata ps,real x0,real x,real y0,char *label,
real fontsize,char *font,
int nmap,t_mapping map[],
int mapoffset)
{
int i;
real xx0;
real yhh,boxxh,boxyh;
boxyh=fontsize;
if (x<8*fontsize)
x=8*fontsize;
boxxh=(real)x/(real)(nmap-mapoffset);
if (boxxh>fontsize)
boxxh=fontsize;
/* LANDSCAPE */
xx0=x0-((nmap-mapoffset)*boxxh)/2.0;
for(i=0; (i<nmap-mapoffset); i++) {
ps_rgb(ps,&(map[i+mapoffset].rgb));
ps_fillbox(ps,xx0+i*boxxh,y0,xx0+(i+1)*boxxh,y0+boxyh);
}
ps_strfont(ps,font,fontsize);
ps_rgb(ps,BLACK);
ps_box(ps,xx0,y0,xx0+(nmap-mapoffset)*boxxh,y0+boxyh);
yhh=y0+boxyh+3*DDD;
ps_ctext(ps,xx0+boxxh/2,yhh,map[0].desc,eXCenter);
if ((int)strlen(label) > 0)
ps_ctext(ps,x0,yhh,label,eXCenter);
ps_ctext(ps,xx0+((nmap-mapoffset)*boxxh)
- boxxh/2,yhh,map[nmap-1].desc,eXCenter);
}
void leg_discrete(t_psdata ps,real x0,real y0,char *label,
real fontsize,char *font,int nmap,t_mapping map[])
{
int i;
real yhh;
real boxhh;
boxhh=fontsize+DDD;
/* LANDSCAPE */
ps_rgb(ps,BLACK);
ps_strfont(ps,font,fontsize);
yhh=y0+fontsize+3*DDD;
if ((int)strlen(label) > 0)
ps_ctext(ps,x0,yhh,label,eXLeft);
ps_moveto(ps,x0,y0);
for(i=0; (i<nmap); i++) {
ps_setorigin(ps);
ps_rgb(ps,&(map[i].rgb));
ps_fillbox(ps,DDD,DDD,DDD+fontsize,boxhh-DDD);
ps_rgb(ps,BLACK);
ps_box(ps,DDD,DDD,DDD+fontsize,boxhh-DDD);
ps_ctext(ps,boxhh+2*DDD,fontsize/3,map[i].desc,eXLeft);
ps_unsetorigin(ps);
ps_moverel(ps,DDD,-fontsize/3);
}
}
static void ps_draw_bond(t_psdata ps,
atom_id ai,atom_id aj,iv2 vec2[],
rvec x[],char **atomnm[],int size[],bool bBalls)
{
char *ic,*jc;
int xi,yi,xj,yj;
int xm,ym;
if (bBalls) {
ps_draw_atom(ps,ai,vec2,atomnm);
ps_draw_atom(ps,aj,vec2,atomnm);
}
else {
if (local_pbc_dx(x[ai],x[aj])) {
ic=*atomnm[ai];
jc=*atomnm[aj];
xi=vec2[ai][XX];
yi=vec2[ai][YY];
xj=vec2[aj][XX];
yj=vec2[aj][YY];
if (ic != jc) {
xm=(xi+xj) >> 1;
ym=(yi+yj) >> 1;
ps_rgb(ps,Type2RGB(ic));
ps_line(ps,xi,yi,xm,ym);
ps_rgb(ps,Type2RGB(jc));
ps_line(ps,xm,ym,xj,yj);
}
else {
ps_rgb(ps,Type2RGB(ic));
ps_line(ps,xi,yi,xj,yj);
}
}
static void draw_zerolines(t_psdata out, real x0, real y0, real w,
int nmat, t_matrix mat[], t_psrec *psr)
{
real xx, yy, dy, xx00, yy00;
int i, x, y;
xx00 = x0-1.5;
yy00 = y0-1.5;
ps_linewidth(out, psr->zerolinewidth);
for (i = 0; (i < nmat); i++)
{
dy = box_height(&(mat[i]), psr);
/* mat[i].axis_x and _y were already set by draw_boxes */
if (psr->X.lineatzero)
{
ps_rgb(out, linecolors[psr->X.lineatzero]);
for (x = 0; (x < mat[i].nx); x++)
{
xx = xx00+(x+0.7)*psr->xboxsize;
/* draw lines whenever tick label almost zero (e.g. next trajectory) */
if (x != 0 && x < mat[i].nx-1 &&
abs(mat[i].axis_x[x]) <
0.1*abs(mat[i].axis_x[x+1]-mat[i].axis_x[x]) )
{
ps_line (out, xx, yy00, xx, yy00+dy+2);
}
}
}
if (psr->Y.lineatzero)
{
ps_rgb(out, linecolors[psr->Y.lineatzero]);
for (y = 0; (y < mat[i].ny); y++)
{
yy = yy00+(y+0.7)*psr->yboxsize;
/* draw lines whenever tick label almost zero (e.g. next trajectory) */
if (y != 0 && y < mat[i].ny-1 &&
abs(mat[i].axis_y[y]) <
0.1*abs(mat[i].axis_y[y+1]-mat[i].axis_y[y]) )
{
ps_line (out, xx00, yy, xx00+w+2, yy);
}
}
}
yy00 += box_height(&(mat[i]), psr)+box_dh(psr)+box_dh_top(IS_ONCE, psr);
}
}
static void ps_draw_atom(t_psdata ps,atom_id ai,iv2 vec2[],char **atomnm[])
{
int xi,yi;
xi=vec2[ai][XX];
yi=vec2[ai][YY];
ps_rgb(ps,Type2RGB(*atomnm[ai]));
ps_line(ps,xi-MSIZE,yi,xi+MSIZE+1,yi);
ps_line(ps,xi,yi-MSIZE,xi,yi+MSIZE+1);
}
void ps_rgb_nbox(t_psdata ps,t_rgb *rgb,real n)
{
int i;
if ( n>2 ) {
ps_rgb(ps,rgb);
fprintf(ps->fp,"/y %g by\n",n*ps->gen_ybox);
/* macro by is defined in ps_init_rgb_nbox */
} else
for (i=0; (i<n); i++)
ps_rgb_box(ps, rgb);
}
void ps_mat(char *outf,int nmat,t_matrix mat[],t_matrix mat2[],
bool bFrame,bool bDiag,bool bFirstDiag,
bool bTitle,bool bTitleOnce,bool bYonce,int elegend,
real size,real boxx,real boxy,char *m2p,char *m2pout,
int mapoffset)
{
char *libm2p;
char buf[256],*legend;
t_psdata out;
t_psrec psrec,*psr;
int W,H;
int i,j,x,y,col,leg=0;
real x0,y0,xx;
real w,h,dw,dh;
int nmap1=0,nmap2=0,leg_nmap;
t_mapping *map1=NULL,*map2=NULL,*leg_map;
bool bMap1,bNextMap1,bDiscrete;
libm2p = m2p ? strdup(libfn(m2p)) : m2p;
get_params(libm2p,m2pout,&psrec);
psr=&psrec;
if (psr->X.major <= 0 )
tick_spacing((mat[0].flags & MAT_SPATIAL_X) ? mat[0].nx + 1 : mat[0].nx,
mat[0].axis_x, psr->X.offset, 'X',
&(psr->X.major), &(psr->X.minor) );
if (psr->X.minor <= 0 )
psr->X.minor = psr->X.major / 2;
if (psr->Y.major <= 0)
tick_spacing((mat[0].flags & MAT_SPATIAL_Y) ? mat[0].ny + 1 : mat[0].ny,
mat[0].axis_y, psr->Y.offset, 'Y',
&(psr->Y.major), &(psr->Y.minor) );
if (psr->Y.minor <= 0)
psr->Y.minor = psr->Y.major / 2;
if (boxx>0) {
psr->xboxsize=boxx;
psr->yboxsize=boxx;
}
if (boxy>0)
psr->yboxsize=boxy;
if (psr->xboxsize==0) {
psr->xboxsize = size/mat[0].nx;
printf("Set the x-size of the box to %.3f\n",psr->xboxsize);
}
if (psr->yboxsize==0) {
psr->yboxsize = size/mat[0].nx;
printf("Set the y-size of the box to %.3f\n",psr->yboxsize);
}
nmap1=0;
for (i=0; (i<nmat); i++)
if (mat[i].nmap>nmap1) {
nmap1=mat[i].nmap;
map1=mat[i].map;
leg=i+1;
}
if (leg!=1)
printf("Selected legend of matrix # %d for display\n",leg);
if (mat2) {
nmap2=0;
for (i=0; (i<nmat); i++)
if (mat2[i].nmap>nmap2) {
nmap2=mat2[i].nmap;
map2=mat2[i].map;
leg=i+1;
}
if (leg!=1)
printf("Selected legend of matrix # %d for second display\n",leg);
}
if ( (mat[0].legend[0]==0) && psr->legend )
strcpy(mat[0].legend, psr->leglabel);
bTitle = bTitle && mat[nmat-1].title[0];
bTitleOnce = bTitleOnce && mat[nmat-1].title[0];
psr->bTitle = bTitle;
psr->bTitleOnce = bTitleOnce;
psr->bYonce = bYonce;
/* Set up size of box for nice colors */
box_dim(nmat,mat,mat2,psr,elegend,bFrame,&w,&h,&dw,&dh);
/* Set up bounding box */
W=w+dw;
H=h+dh;
/* Start box at */
x0=dw;
y0=dh;
x = W+psr->xoffs;
y = H+psr->yoffs;
if (bFrame) {
x += 5*DDD;
y += 4*DDD;
}
out=ps_open(outf,0,0,x,y);
ps_linewidth(out,psr->linewidth);
ps_init_rgb_box(out,psr->xboxsize,psr->yboxsize);
ps_init_rgb_nbox(out,psr->xboxsize,psr->yboxsize);
ps_translate(out,psr->xoffs,psr->yoffs);
if (bFrame) {
ps_comment(out,"Here starts the BOX drawing");
draw_boxes(out,x0,y0,w,nmat,mat,psr);
}
for(i=0; (i<nmat); i++) {
if (bTitle || (bTitleOnce && i==nmat-1) ) {
/* Print title, if any */
ps_rgb(out,BLACK);
ps_strfont(out,psr->titfont,psr->titfontsize);
if (!mat2 || (strcmp(mat[i].title,mat2[i].title) == 0))
strcpy(buf,mat[i].title);
else
sprintf(buf,"%s / %s",mat[i].title,mat2[i].title);
ps_ctext(out,x0+w/2,y0+box_height(&(mat[i]),psr)+psr->titfontsize,
buf,eXCenter);
}
sprintf(buf,"Here starts the filling of box #%d",i);
ps_comment(out,buf);
for(x=0; (x<mat[i].nx); x++) {
int nexty;
int nextcol;
xx=x0+x*psr->xboxsize;
ps_moveto(out,xx,y0);
y=0;
bMap1 = (!mat2 || (x<y || (x==y && bFirstDiag)));
if ((bDiag) || (x!=y))
col = mat[i].matrix[x][y];
else
col = -1;
for(nexty=1; (nexty<=mat[i].ny); nexty++) {
bNextMap1 = (!mat2 || (x<nexty || (x==nexty && bFirstDiag)));
/* TRUE: upper left -> map1 */
/* FALSE: lower right -> map2 */
if ((nexty==mat[i].ny) || (!bDiag && (x==nexty)))
nextcol = -1;
else
nextcol=mat[i].matrix[x][nexty];
if ( (nexty==mat[i].ny) || (col!=nextcol) || (bMap1!=bNextMap1) ) {
if (col >= 0)
if (bMap1)
ps_rgb_nbox(out,&(mat[i].map[col].rgb),nexty-y);
else
ps_rgb_nbox(out,&(mat2[i].map[col].rgb),nexty-y);
else
ps_moverel(out,0,psr->yboxsize);
y=nexty;
bMap1=bNextMap1;
col=nextcol;
}
}
}
y0+=box_height(&(mat[i]),psr)+box_dh(psr)+box_dh_top(IS_ONCE,psr);
}
if (psr->X.lineatzero || psr->Y.lineatzero) {
/* reset y0 for first box */
y0=dh;
ps_comment(out,"Here starts the zero lines drawing");
draw_zerolines(out,x0,y0,w,nmat,mat,psr);
}
if (elegend!=elNone) {
ps_comment(out,"Now it's legend time!");
ps_linewidth(out,psr->linewidth);
if ( mat2==NULL || elegend!=elSecond ) {
bDiscrete = mat[0].bDiscrete;
legend = mat[0].legend;
leg_nmap = nmap1;
leg_map = map1;
} else {
bDiscrete = mat2[0].bDiscrete;
legend = mat2[0].legend;
leg_nmap = nmap2;
leg_map = map2;
}
if (bDiscrete)
leg_discrete(out,psr->legfontsize,DDD,legend,
psr->legfontsize,psr->legfont,leg_nmap,leg_map);
else {
if ( elegend!=elBoth )
leg_continuous(out,x0+w/2,w/2,DDD,legend,
psr->legfontsize,psr->legfont,leg_nmap,leg_map,
mapoffset);
else
leg_bicontinuous(out,x0+w/2,w,DDD,mat[0].legend,mat2[0].legend,
psr->legfontsize,psr->legfont,nmap1,map1,nmap2,map2);
}
ps_comment(out,"Were there, dude");
}
ps_close(out);
}
static void draw_boxes(t_psdata ps,real x0,real y0,real w,
int nmat,t_matrix mat[],t_psrec *psr)
{
char buf[12];
char *mylab;
real xxx;
char **xtick,**ytick;
real xx,yy,dy,xx00,yy00,offset_x,offset_y;
int i,j,x,y,ntx,nty,strlength;
/* Only necessary when there will be no y-labels */
strlength = 0;
/* Draw the box */
ps_rgb(ps,BLACK);
ps_linewidth(ps,psr->boxlinewidth);
yy00=y0;
for(i=0; (i<nmat); i++) {
dy=box_height(&(mat[i]),psr);
ps_box(ps,x0-1,yy00-1,x0+w+1,yy00+dy+1);
yy00+=dy+box_dh(psr)+box_dh_top(IS_ONCE,psr);
}
/* Draw the ticks on the axes */
ps_linewidth(ps,psr->ticklinewidth);
xx00=x0-1;
yy00=y0-1;
for (i=0; (i<nmat); i++) {
if (mat[i].flags & MAT_SPATIAL_X) {
ntx = mat[i].nx + 1;
offset_x = 0.1;
} else {
ntx = mat[i].nx;
offset_x = 0.6;
}
if (mat[i].flags & MAT_SPATIAL_Y) {
nty = mat[i].ny + 1;
offset_y = 0.1;
} else {
nty = mat[i].ny;
offset_y = 0.6;
}
snew(xtick,ntx);
for(j=0; (j<ntx); j++) {
sprintf(buf,"%g",mat[i].axis_x[j]);
xtick[j]=strdup(buf);
}
ps_strfont(ps,psr->X.tickfont,psr->X.tickfontsize);
for(x=0; (x<ntx); x++) {
xx = xx00 + (x + offset_x)*psr->xboxsize;
if ( ( bRmod(mat[i].axis_x[x], psr->X.offset, psr->X.major) ||
(psr->X.first && (x==0))) &&
( (i == 0) || box_do_all_x_maj_ticks(psr) ) ) {
/* Longer tick marks */
ps_line (ps,xx,yy00,xx,yy00-psr->X.majorticklen);
/* Plot label on lowest graph only */
if (i == 0)
ps_ctext(ps,xx,
yy00-DDD-psr->X.majorticklen-psr->X.tickfontsize*0.8,
xtick[x],eXCenter);
} else if ( bRmod(mat[i].axis_x[x], psr->X.offset, psr->X.minor) &&
( (i == 0) || box_do_all_x_min_ticks(psr) ) ){
/* Shorter tick marks */
ps_line(ps,xx,yy00,xx,yy00-psr->X.minorticklen);
} else if ( bRmod(mat[i].axis_x[x], psr->X.offset, psr->X.major) ) {
/* Even shorter marks, only each X.major */
ps_line(ps,xx,yy00,xx,yy00-(psr->boxspacing/2));
}
}
ps_strfont(ps,psr->Y.tickfont,psr->Y.tickfontsize);
snew(ytick,nty);
for(j=0; (j<nty); j++) {
sprintf(buf,"%g",mat[i].axis_y[j]);
ytick[j]=strdup(buf);
}
for(y=0; (y<nty); y++) {
yy = yy00 + (y + offset_y)*psr->yboxsize;
if ( bRmod(mat[i].axis_y[y], psr->Y.offset, psr->Y.major) ||
(psr->Y.first && (y==0))) {
/* Major ticks */
strlength=max(strlength,(int)strlen(ytick[y]));
ps_line (ps,xx00,yy,xx00-psr->Y.majorticklen,yy);
ps_ctext(ps,xx00-psr->Y.majorticklen-DDD,
yy-psr->Y.tickfontsize/3.0,ytick[y],eXRight);
}
else if ( bRmod(mat[i].axis_y[y], psr->Y.offset, psr->Y.minor) ) {
/* Minor ticks */
ps_line(ps,xx00,yy,xx00-psr->Y.minorticklen,yy);
}
}
sfree(xtick);
sfree(ytick);
/* Label on Y-axis */
if (!psr->bYonce || i==nmat/2) {
if (strlen(psr->Y.label) > 0)
mylab = psr->Y.label;
else
mylab = mat[i].label_y;
if (strlen(mylab) > 0) {
ps_strfont(ps,psr->Y.font,psr->Y.fontsize);
ps_flip(ps,TRUE);
xxx=x0-psr->X.majorticklen-psr->X.tickfontsize*strlength-DDD;
ps_ctext(ps,yy00+box_height(&mat[i],psr)/2.0,612.5-xxx,
mylab,eXCenter);
ps_flip(ps,FALSE);
}
}
yy00+=box_height(&(mat[i]),psr)+box_dh(psr)+box_dh_top(IS_ONCE,psr);
}
/* Label on X-axis */
if (strlen(psr->X.label) > 0)
mylab = psr->X.label;
else
mylab = mat[0].label_x;
if (strlen(mylab) > 0) {
ps_strfont(ps,psr->X.font,psr->X.fontsize);
ps_ctext(ps,x0+w/2,y0-DDD-psr->X.majorticklen-psr->X.tickfontsize*FUDGE-
psr->X.fontsize,mylab,eXCenter);
}
}