/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
#define DDD 2
typedef struct {
- real major;
- real minor;
- real offset;
- gmx_bool first;
- int lineatzero;
- real majorticklen;
- real minorticklen;
- char label[STRLEN];
- real fontsize;
- char font[STRLEN];
- real tickfontsize;
- char tickfont[STRLEN];
+ real major;
+ real minor;
+ real offset;
+ gmx_bool first;
+ int lineatzero;
+ real majorticklen;
+ real minorticklen;
+ char label[STRLEN];
+ real fontsize;
+ char font[STRLEN];
+ real tickfontsize;
+ char tickfont[STRLEN];
} t_axisdef;
typedef struct {
- int bw;
- real linewidth;
- real xoffs,yoffs;
- gmx_bool bTitle;
- gmx_bool bTitleOnce;
- gmx_bool bYonce;
- real titfontsize;
- char titfont[STRLEN];
- gmx_bool legend;
- real legfontsize;
- char legfont[STRLEN];
- char leglabel[STRLEN];
- char leg2label[STRLEN];
- real xboxsize;
- real yboxsize;
- real boxspacing;
- real boxlinewidth;
- real ticklinewidth;
- real zerolinewidth;
- t_axisdef X,Y;
+ int bw;
+ real linewidth;
+ real xoffs, yoffs;
+ gmx_bool bTitle;
+ gmx_bool bTitleOnce;
+ gmx_bool bYonce;
+ real titfontsize;
+ char titfont[STRLEN];
+ gmx_bool legend;
+ real legfontsize;
+ char legfont[STRLEN];
+ char leglabel[STRLEN];
+ char leg2label[STRLEN];
+ real xboxsize;
+ real yboxsize;
+ real boxspacing;
+ real boxlinewidth;
+ real ticklinewidth;
+ real zerolinewidth;
+ t_axisdef X, Y;
} t_psrec;
/* MUST correspond to char *legend[] in main() */
-enum { elSel, elBoth, elFirst, elSecond, elNone, elNR };
+enum {
+ elSel, elBoth, elFirst, elSecond, elNone, elNR
+};
/* MUST correspond to char *combine[] in main() */
-enum { ecSel, ecHalves, ecAdd, ecSub, ecMult, ecDiv, ecNR };
+enum {
+ ecSel, ecHalves, ecAdd, ecSub, ecMult, ecDiv, ecNR
+};
-void get_params(const char *mpin,const char *mpout,t_psrec *psr)
+void get_params(const char *mpin, const char *mpout, t_psrec *psr)
{
- static const char *gmx_bools[BOOL_NR+1] = { "no", "yes", NULL };
- /* this must correspond to t_rgb *linecolors[] below */
- static const char *colors[] = { "none", "black", "white", NULL };
- warninp_t wi;
- t_inpfile *inp;
- const char *tmp;
- int ninp=0;
-
- wi = init_warning(FALSE,0);
-
- if (mpin != NULL) {
- inp = read_inpfile(mpin,&ninp,NULL,wi);
- } else {
- inp = NULL;
- }
- ETYPE("black&white", psr->bw, gmx_bools);
- RTYPE("linewidth", psr->linewidth, 1.0);
- STYPE("titlefont", psr->titfont, "Helvetica");
- RTYPE("titlefontsize", psr->titfontsize, 20.0);
- ETYPE("legend", psr->legend, gmx_bools);
- STYPE("legendfont", psr->legfont, psr->titfont);
- STYPE("legendlabel", psr->leglabel, "");
- STYPE("legend2label", psr->leg2label, psr->leglabel);
- RTYPE("legendfontsize", psr->legfontsize, 14.0);
- RTYPE("xbox", psr->xboxsize, 0.0);
- RTYPE("ybox", psr->yboxsize, 0.0);
- RTYPE("matrixspacing", psr->boxspacing, 20.0);
- RTYPE("xoffset", psr->xoffs, 0.0);
- RTYPE("yoffset", psr->yoffs, psr->xoffs);
- RTYPE("boxlinewidth", psr->boxlinewidth, psr->linewidth);
- RTYPE("ticklinewidth", psr->ticklinewidth, psr->linewidth);
- RTYPE("zerolinewidth", psr->zerolinewidth, psr->ticklinewidth);
- ETYPE("x-lineat0value", psr->X.lineatzero, colors);
- RTYPE("x-major", psr->X.major, NOTSET);
- RTYPE("x-minor", psr->X.minor, NOTSET);
- RTYPE("x-firstmajor", psr->X.offset, 0.0);
- ETYPE("x-majorat0", psr->X.first, gmx_bools);
- RTYPE("x-majorticklen", psr->X.majorticklen, 8.0);
- RTYPE("x-minorticklen", psr->X.minorticklen, 4.0);
- STYPE("x-label", psr->X.label, "");
- RTYPE("x-fontsize", psr->X.fontsize, 16.0);
- STYPE("x-font", psr->X.font, psr->titfont);
- RTYPE("x-tickfontsize", psr->X.tickfontsize, 10.0);
- STYPE("x-tickfont", psr->X.tickfont, psr->X.font);
- ETYPE("y-lineat0value", psr->Y.lineatzero, colors);
- RTYPE("y-major", psr->Y.major, psr->X.major);
- RTYPE("y-minor", psr->Y.minor, psr->X.minor);
- RTYPE("y-firstmajor", psr->Y.offset, psr->X.offset);
- ETYPE("y-majorat0", psr->Y.first, gmx_bools);
- RTYPE("y-majorticklen", psr->Y.majorticklen, psr->X.majorticklen);
- RTYPE("y-minorticklen", psr->Y.minorticklen, psr->X.minorticklen);
- STYPE("y-label", psr->Y.label, psr->X.label);
- RTYPE("y-fontsize", psr->Y.fontsize, psr->X.fontsize);
- STYPE("y-font", psr->Y.font, psr->X.font);
- RTYPE("y-tickfontsize", psr->Y.tickfontsize, psr->X.tickfontsize);
- STYPE("y-tickfont", psr->Y.tickfont, psr->Y.font);
-
- if (mpout != NULL) {
- write_inpfile(mpout,ninp,inp,TRUE,wi);
- }
-
- done_warning(wi,FARGS);
+ static const char *gmx_bools[BOOL_NR+1] = { "no", "yes", NULL };
+ /* this must correspond to t_rgb *linecolors[] below */
+ static const char *colors[] = { "none", "black", "white", NULL };
+ warninp_t wi;
+ t_inpfile *inp;
+ const char *tmp;
+ int ninp = 0;
+
+ wi = init_warning(FALSE, 0);
+
+ if (mpin != NULL)
+ {
+ inp = read_inpfile(mpin, &ninp, NULL, wi);
+ }
+ else
+ {
+ inp = NULL;
+ }
+ ETYPE("black&white", psr->bw, gmx_bools);
+ RTYPE("linewidth", psr->linewidth, 1.0);
+ STYPE("titlefont", psr->titfont, "Helvetica");
+ RTYPE("titlefontsize", psr->titfontsize, 20.0);
+ ETYPE("legend", psr->legend, gmx_bools);
+ STYPE("legendfont", psr->legfont, psr->titfont);
+ STYPE("legendlabel", psr->leglabel, "");
+ STYPE("legend2label", psr->leg2label, psr->leglabel);
+ RTYPE("legendfontsize", psr->legfontsize, 14.0);
+ RTYPE("xbox", psr->xboxsize, 0.0);
+ RTYPE("ybox", psr->yboxsize, 0.0);
+ RTYPE("matrixspacing", psr->boxspacing, 20.0);
+ RTYPE("xoffset", psr->xoffs, 0.0);
+ RTYPE("yoffset", psr->yoffs, psr->xoffs);
+ RTYPE("boxlinewidth", psr->boxlinewidth, psr->linewidth);
+ RTYPE("ticklinewidth", psr->ticklinewidth, psr->linewidth);
+ RTYPE("zerolinewidth", psr->zerolinewidth, psr->ticklinewidth);
+ ETYPE("x-lineat0value", psr->X.lineatzero, colors);
+ RTYPE("x-major", psr->X.major, NOTSET);
+ RTYPE("x-minor", psr->X.minor, NOTSET);
+ RTYPE("x-firstmajor", psr->X.offset, 0.0);
+ ETYPE("x-majorat0", psr->X.first, gmx_bools);
+ RTYPE("x-majorticklen", psr->X.majorticklen, 8.0);
+ RTYPE("x-minorticklen", psr->X.minorticklen, 4.0);
+ STYPE("x-label", psr->X.label, "");
+ RTYPE("x-fontsize", psr->X.fontsize, 16.0);
+ STYPE("x-font", psr->X.font, psr->titfont);
+ RTYPE("x-tickfontsize", psr->X.tickfontsize, 10.0);
+ STYPE("x-tickfont", psr->X.tickfont, psr->X.font);
+ ETYPE("y-lineat0value", psr->Y.lineatzero, colors);
+ RTYPE("y-major", psr->Y.major, psr->X.major);
+ RTYPE("y-minor", psr->Y.minor, psr->X.minor);
+ RTYPE("y-firstmajor", psr->Y.offset, psr->X.offset);
+ ETYPE("y-majorat0", psr->Y.first, gmx_bools);
+ RTYPE("y-majorticklen", psr->Y.majorticklen, psr->X.majorticklen);
+ RTYPE("y-minorticklen", psr->Y.minorticklen, psr->X.minorticklen);
+ STYPE("y-label", psr->Y.label, psr->X.label);
+ RTYPE("y-fontsize", psr->Y.fontsize, psr->X.fontsize);
+ STYPE("y-font", psr->Y.font, psr->X.font);
+ RTYPE("y-tickfontsize", psr->Y.tickfontsize, psr->X.tickfontsize);
+ STYPE("y-tickfont", psr->Y.tickfont, psr->Y.font);
+
+ if (mpout != NULL)
+ {
+ write_inpfile(mpout, ninp, inp, TRUE, wi);
+ }
+
+ done_warning(wi, FARGS);
}
t_rgb black = { 0, 0, 0 };
/* this must correspond to *colors[] in get_params */
t_rgb *linecolors[] = { NULL, &black, &white, NULL };
-gmx_bool diff_maps(int nmap1,t_mapping *map1,int nmap2,t_mapping *map2)
+gmx_bool diff_maps(int nmap1, t_mapping *map1, int nmap2, t_mapping *map2)
{
- int i;
- gmx_bool bDiff,bColDiff=FALSE;
-
- if (nmap1 != nmap2)
- bDiff=TRUE;
- else {
- bDiff=FALSE;
- for(i=0; i<nmap1; i++) {
- if (!matelmt_cmp(map1[i].code, map2[i].code)) bDiff=TRUE;
- if (strcmp(map1[i].desc,map2[i].desc) != 0) bDiff=TRUE;
- if ((map1[i].rgb.r!=map2[i].rgb.r) ||
- (map1[i].rgb.g!=map2[i].rgb.g) ||
- (map1[i].rgb.b!=map2[i].rgb.b))
- bColDiff=TRUE;
- }
- if (!bDiff && bColDiff)
- fprintf(stderr,"Warning: two colormaps differ only in RGB value, using one colormap.\n");
- }
-
- return bDiff;
+ int i;
+ gmx_bool bDiff, bColDiff = FALSE;
+
+ if (nmap1 != nmap2)
+ {
+ bDiff = TRUE;
+ }
+ else
+ {
+ bDiff = FALSE;
+ for (i = 0; i < nmap1; i++)
+ {
+ if (!matelmt_cmp(map1[i].code, map2[i].code))
+ {
+ bDiff = TRUE;
+ }
+ if (strcmp(map1[i].desc, map2[i].desc) != 0)
+ {
+ bDiff = TRUE;
+ }
+ if ((map1[i].rgb.r != map2[i].rgb.r) ||
+ (map1[i].rgb.g != map2[i].rgb.g) ||
+ (map1[i].rgb.b != map2[i].rgb.b))
+ {
+ bColDiff = TRUE;
+ }
+ }
+ if (!bDiff && bColDiff)
+ {
+ fprintf(stderr, "Warning: two colormaps differ only in RGB value, using one colormap.\n");
+ }
+ }
+
+ return bDiff;
}
-
-void leg_discrete(t_psdata ps,real x0,real y0,char *label,
- real fontsize,char *font,int nmap,t_mapping map[])
+
+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);
- }
+ 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);
+ }
}
-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)
+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);
+ 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_bicontinuous(t_psdata ps,real x0,real x,real y0,char *label1,
- char *label2, real fontsize,char *font,
- int nmap1,t_mapping map1[],int nmap2,t_mapping map2[])
+void leg_bicontinuous(t_psdata ps, real x0, real x, real y0, char *label1,
+ char *label2, real fontsize, char *font,
+ int nmap1, t_mapping map1[], int nmap2, t_mapping map2[])
{
- real xx1,xx2,x1,x2;
-
- x1=x/(nmap1+nmap2)*nmap1;/* width of legend 1 */
- x2=x/(nmap1+nmap2)*nmap2;/* width of legend 2 */
- xx1=x0-(x2/2.0)-fontsize;/* center of legend 1 */
- xx2=x0+(x1/2.0)+fontsize;/* center of legend 2 */
- x1-=fontsize/2;/* adjust width */
- x2-=fontsize/2;/* adjust width */
- leg_continuous(ps,xx1,x1,y0,label1,fontsize,font,nmap1,map1,0);
- leg_continuous(ps,xx2,x2,y0,label2,fontsize,font,nmap2,map2,0);
+ real xx1, xx2, x1, x2;
+
+ x1 = x/(nmap1+nmap2)*nmap1; /* width of legend 1 */
+ x2 = x/(nmap1+nmap2)*nmap2; /* width of legend 2 */
+ xx1 = x0-(x2/2.0)-fontsize; /* center of legend 1 */
+ xx2 = x0+(x1/2.0)+fontsize; /* center of legend 2 */
+ x1 -= fontsize/2; /* adjust width */
+ x2 -= fontsize/2; /* adjust width */
+ leg_continuous(ps, xx1, x1, y0, label1, fontsize, font, nmap1, map1, 0);
+ leg_continuous(ps, xx2, x2, y0, label2, fontsize, font, nmap2, map2, 0);
}
-static real box_height(t_matrix *mat,t_psrec *psr)
+static real box_height(t_matrix *mat, t_psrec *psr)
{
- return mat->ny*psr->yboxsize;
+ return mat->ny*psr->yboxsize;
}
static real box_dh(t_psrec *psr)
{
- return psr->boxspacing;
+ return psr->boxspacing;
}
-#define IS_ONCE (i==nmat-1)
+#define IS_ONCE (i == nmat-1)
static real box_dh_top(gmx_bool bOnce, t_psrec *psr)
{
- real dh;
-
- if (psr->bTitle || (psr->bTitleOnce && bOnce) )
- dh=2*psr->titfontsize;
- else
- dh=0;
-
- return dh;
+ real dh;
+
+ if (psr->bTitle || (psr->bTitleOnce && bOnce) )
+ {
+ dh = 2*psr->titfontsize;
+ }
+ else
+ {
+ dh = 0;
+ }
+
+ return dh;
}
static gmx_bool box_do_all_x_maj_ticks(t_psrec *psr)
{
- return (psr->boxspacing>(1.5*psr->X.majorticklen));
+ return (psr->boxspacing > (1.5*psr->X.majorticklen));
}
static gmx_bool box_do_all_x_min_ticks(t_psrec *psr)
{
- return (psr->boxspacing>(1.5*psr->X.minorticklen));
+ return (psr->boxspacing > (1.5*psr->X.minorticklen));
}
-static void draw_boxes(t_psdata ps,real x0,real y0,real w,
- int nmat,t_matrix mat[],t_psrec *psr)
+static void draw_boxes(t_psdata ps, real x0, real y0, real w,
+ int nmat, t_matrix mat[], t_psrec *psr)
{
- char buf[128];
- 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);
- }
+ char buf[128];
+ 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);
+ }
}
-static void draw_zerolines(t_psdata out,real x0,real y0,real w,
- int nmat,t_matrix mat[],t_psrec *psr)
+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);
- }
+ 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 box_dim(int nmat,t_matrix mat[],t_matrix *mat2,t_psrec *psr,
- int elegend,gmx_bool bFrame,
- real *w,real *h,real *dw,real *dh)
+static void box_dim(int nmat, t_matrix mat[], t_matrix *mat2, t_psrec *psr,
+ int elegend, gmx_bool bFrame,
+ real *w, real *h, real *dw, real *dh)
{
- int i,maxytick;
- real ww,hh,dww,dhh;
-
- hh=dww=dhh=0;
- maxytick=0;
-
- ww=0;
- for(i=0; (i<nmat); i++) {
- ww=max(ww,mat[i].nx*psr->xboxsize);
- hh+=box_height(&(mat[i]),psr);
- maxytick=max(maxytick,mat[i].nx);
- }
- if (bFrame) {
- if (mat[0].label_y[0])
- dww+=2.0*(psr->Y.fontsize+DDD);
- if (psr->Y.major > 0)
- dww += psr->Y.majorticklen + DDD +
- psr->Y.tickfontsize*(log(maxytick)/log(10.0));
- else if (psr->Y.minor > 0)
- dww+=psr->Y.minorticklen;
-
- if (mat[0].label_x[0])
- dhh+=psr->X.fontsize+2*DDD;
- if (/* fool emacs auto-indent */
- (elegend==elBoth && (mat[0].legend[0] || mat2[0].legend[0])) ||
- (elegend==elFirst && mat[0].legend[0]) ||
- (elegend==elSecond && mat2[0].legend[0]) )
- dhh+=2*(psr->legfontsize*FUDGE+2*DDD);
- else
- dhh+=psr->legfontsize*FUDGE+2*DDD;
- if (psr->X.major > 0)
- dhh+=psr->X.tickfontsize*FUDGE+2*DDD+psr->X.majorticklen;
- else if (psr->X.minor > 0)
- dhh+=psr->X.minorticklen;
-
- hh+=(nmat-1)*box_dh(psr);
- hh+=box_dh_top(TRUE,psr);
- if (nmat>1)
- hh+=(nmat-1)*box_dh_top(FALSE,psr);
- }
- *w=ww;
- *h=hh;
- *dw=dww;
- *dh=dhh;
+ int i, maxytick;
+ real ww, hh, dww, dhh;
+
+ hh = dww = dhh = 0;
+ maxytick = 0;
+
+ ww = 0;
+ for (i = 0; (i < nmat); i++)
+ {
+ ww = max(ww, mat[i].nx*psr->xboxsize);
+ hh += box_height(&(mat[i]), psr);
+ maxytick = max(maxytick, mat[i].nx);
+ }
+ if (bFrame)
+ {
+ if (mat[0].label_y[0])
+ {
+ dww += 2.0*(psr->Y.fontsize+DDD);
+ }
+ if (psr->Y.major > 0)
+ {
+ dww += psr->Y.majorticklen + DDD +
+ psr->Y.tickfontsize*(log(maxytick)/log(10.0));
+ }
+ else if (psr->Y.minor > 0)
+ {
+ dww += psr->Y.minorticklen;
+ }
+
+ if (mat[0].label_x[0])
+ {
+ dhh += psr->X.fontsize+2*DDD;
+ }
+ if ( /* fool emacs auto-indent */
+ (elegend == elBoth && (mat[0].legend[0] || mat2[0].legend[0])) ||
+ (elegend == elFirst && mat[0].legend[0]) ||
+ (elegend == elSecond && mat2[0].legend[0]) )
+ {
+ dhh += 2*(psr->legfontsize*FUDGE+2*DDD);
+ }
+ else
+ {
+ dhh += psr->legfontsize*FUDGE+2*DDD;
+ }
+ if (psr->X.major > 0)
+ {
+ dhh += psr->X.tickfontsize*FUDGE+2*DDD+psr->X.majorticklen;
+ }
+ else if (psr->X.minor > 0)
+ {
+ dhh += psr->X.minorticklen;
+ }
+
+ hh += (nmat-1)*box_dh(psr);
+ hh += box_dh_top(TRUE, psr);
+ if (nmat > 1)
+ {
+ hh += (nmat-1)*box_dh_top(FALSE, psr);
+ }
+ }
+ *w = ww;
+ *h = hh;
+ *dw = dww;
+ *dh = dhh;
}
-int add_maps(t_mapping **newmap,
- int nmap1, t_mapping map1[], int nmap2, t_mapping map2[])
+int add_maps(t_mapping **newmap,
+ int nmap1, t_mapping map1[], int nmap2, t_mapping map2[])
{
- static char mapper[] = "ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789!@#$%^&*()-_=+{}|;:',<.>/?";
- int nsymbols;
- int nmap,j,k;
- t_mapping *map;
-
- nsymbols = strlen(mapper);
- nmap=nmap1+nmap2;
- if (nmap > nsymbols*nsymbols)
- gmx_fatal(FARGS,"Not enough symbols to merge the two colormaps\n");
- printf("Combining colormaps of %d and %d elements into one of %d elements\n",
- nmap1, nmap2, nmap);
- snew(map,nmap);
- for(j=0; j<nmap1; j++) {
- map[j].code.c1=mapper[j % nsymbols];
- if (nmap > nsymbols)
- map[j].code.c2=mapper[j/nsymbols];
- map[j].rgb.r = map1[j].rgb.r;
- map[j].rgb.g = map1[j].rgb.g;
- map[j].rgb.b = map1[j].rgb.b;
- map[j].desc = map1[j].desc;
- }
- for(j=0; j<nmap2; j++) {
- k=j+nmap1;
- map[k].code.c1=mapper[k % nsymbols];
- if (nmap > nsymbols)
- map[k].code.c2=mapper[k/nsymbols];
- map[k].rgb.r = map2[j].rgb.r;
- map[k].rgb.g = map2[j].rgb.g;
- map[k].rgb.b = map2[j].rgb.b;
- map[k].desc = map2[j].desc;
- }
-
- *newmap = map;
- return nmap;
+ static char mapper[] = "ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789!@#$%^&*()-_=+{}|;:',<.>/?";
+ int nsymbols;
+ int nmap, j, k;
+ t_mapping *map;
+
+ nsymbols = strlen(mapper);
+ nmap = nmap1+nmap2;
+ if (nmap > nsymbols*nsymbols)
+ {
+ gmx_fatal(FARGS, "Not enough symbols to merge the two colormaps\n");
+ }
+ printf("Combining colormaps of %d and %d elements into one of %d elements\n",
+ nmap1, nmap2, nmap);
+ snew(map, nmap);
+ for (j = 0; j < nmap1; j++)
+ {
+ map[j].code.c1 = mapper[j % nsymbols];
+ if (nmap > nsymbols)
+ {
+ map[j].code.c2 = mapper[j/nsymbols];
+ }
+ map[j].rgb.r = map1[j].rgb.r;
+ map[j].rgb.g = map1[j].rgb.g;
+ map[j].rgb.b = map1[j].rgb.b;
+ map[j].desc = map1[j].desc;
+ }
+ for (j = 0; j < nmap2; j++)
+ {
+ k = j+nmap1;
+ map[k].code.c1 = mapper[k % nsymbols];
+ if (nmap > nsymbols)
+ {
+ map[k].code.c2 = mapper[k/nsymbols];
+ }
+ map[k].rgb.r = map2[j].rgb.r;
+ map[k].rgb.g = map2[j].rgb.g;
+ map[k].rgb.b = map2[j].rgb.b;
+ map[k].desc = map2[j].desc;
+ }
+
+ *newmap = map;
+ return nmap;
}
-void xpm_mat(const char *outf, int nmat,t_matrix *mat,t_matrix *mat2,
- gmx_bool bDiag,gmx_bool bFirstDiag)
+void xpm_mat(const char *outf, int nmat, t_matrix *mat, t_matrix *mat2,
+ gmx_bool bDiag, gmx_bool bFirstDiag)
{
- FILE *out;
- char buf[100];
- int i,j,k,x,y,col;
- int nmap;
- t_mapping *map=NULL;
-
- out=ffopen(outf,"w");
-
- for(i=0; i<nmat; i++) {
- if (!mat2 || !diff_maps(mat[i].nmap,mat[i].map,mat2[i].nmap,mat2[i].map))
- write_xpm_m(out,mat[0]);
- else {
- nmap = add_maps(&map, mat[i].nmap,mat[i].map, mat2[i].nmap,mat2[i].map);
- for(x=0; (x<mat[i].nx); x++) {
- for(y=0; (y<mat[i].nx); y++) {
- if ((x<y) || ((x==y) && bFirstDiag)) /* upper left -> map1 */
- col=mat[i].matrix[x][y];
- else /* lower right -> map2 */
- col=mat[i].nmap+mat[i].matrix[x][y];
- if ((bDiag) || (x!=y))
- mat[i].matrix[x][y]=col;
- else
- mat[i].matrix[x][y]=0;
- }
- }
- sfree(mat[i].map);
- mat[i].nmap=nmap;
- mat[i].map=map;
- if (mat2 && (strcmp(mat[i].title,mat2[i].title) != 0))
- sprintf(mat[i].title+strlen(mat[i].title)," / %s",mat2[i].title);
- if (mat2 && (strcmp(mat[i].legend,mat2[i].legend) != 0))
- sprintf(mat[i].legend+strlen(mat[i].legend)," / %s",mat2[i].legend);
- write_xpm_m(out,mat[i]);
- }
- }
- ffclose(out);
+ FILE *out;
+ char buf[100];
+ int i, j, k, x, y, col;
+ int nmap;
+ t_mapping *map = NULL;
+
+ out = ffopen(outf, "w");
+
+ for (i = 0; i < nmat; i++)
+ {
+ if (!mat2 || !diff_maps(mat[i].nmap, mat[i].map, mat2[i].nmap, mat2[i].map))
+ {
+ write_xpm_m(out, mat[0]);
+ }
+ else
+ {
+ nmap = add_maps(&map, mat[i].nmap, mat[i].map, mat2[i].nmap, mat2[i].map);
+ for (x = 0; (x < mat[i].nx); x++)
+ {
+ for (y = 0; (y < mat[i].nx); y++)
+ {
+ if ((x < y) || ((x == y) && bFirstDiag)) /* upper left -> map1 */
+ {
+ col = mat[i].matrix[x][y];
+ }
+ else /* lower right -> map2 */
+ {
+ col = mat[i].nmap+mat[i].matrix[x][y];
+ }
+ if ((bDiag) || (x != y))
+ {
+ mat[i].matrix[x][y] = col;
+ }
+ else
+ {
+ mat[i].matrix[x][y] = 0;
+ }
+ }
+ }
+ sfree(mat[i].map);
+ mat[i].nmap = nmap;
+ mat[i].map = map;
+ if (mat2 && (strcmp(mat[i].title, mat2[i].title) != 0))
+ {
+ sprintf(mat[i].title+strlen(mat[i].title), " / %s", mat2[i].title);
+ }
+ if (mat2 && (strcmp(mat[i].legend, mat2[i].legend) != 0))
+ {
+ sprintf(mat[i].legend+strlen(mat[i].legend), " / %s", mat2[i].legend);
+ }
+ write_xpm_m(out, mat[i]);
+ }
+ }
+ ffclose(out);
}
-static void tick_spacing(int n, real axis[], real offset, char axisnm,
- real *major, real *minor)
+static void tick_spacing(int n, real axis[], real offset, char axisnm,
+ real *major, real *minor)
{
- real space;
- gmx_bool bTryAgain,bFive;
- int i,j,t,f=0,ten;
+ real space;
+ gmx_bool bTryAgain, bFive;
+ int i, j, t, f = 0, ten;
#define NFACT 4
- real major_fact[NFACT] = {5, 4, 2, 1};
- real minor_fact[NFACT] = {5, 4, 4, 5};
-
- /* start with interval between 10 matrix points: */
- space = max(10*axis[1]-axis[0], axis[min(10,n-1)]-axis[0]);
- /* get power of 10 */
- ten = (int)ceil(log(space)/log(10))-1;
- bTryAgain = TRUE;
- for(t=ten+2; t>ten-3 && bTryAgain; t--) {
- for(f=0; f<NFACT && bTryAgain; f++) {
- space = pow(10,t) * major_fact[f];
- /* count how many ticks we would get: */
- i = 0;
- for(j=0; j<n; j++)
- if ( bRmod(axis[j], offset, space) )
- i++;
- /* do we have a reasonable number of ticks ? */
- bTryAgain = (i > min(10, n-1)) || (i < 5);
- }
- }
- if (bTryAgain) {
- space = max(10*axis[1]-axis[0], axis[min(10,n-1)]-axis[0]);
- fprintf(stderr,"Auto tick spacing failed for %c-axis, guessing %g\n",
- axisnm,space);
- }
- *major = space;
- *minor = space / minor_fact[f-1];
- fprintf(stderr,"Auto tick spacing for %c-axis: major %g, minor %g\n",
- axisnm, *major, *minor);
+ real major_fact[NFACT] = {5, 4, 2, 1};
+ real minor_fact[NFACT] = {5, 4, 4, 5};
+
+ /* start with interval between 10 matrix points: */
+ space = max(10*axis[1]-axis[0], axis[min(10, n-1)]-axis[0]);
+ /* get power of 10 */
+ ten = (int)ceil(log(space)/log(10))-1;
+ bTryAgain = TRUE;
+ for (t = ten+2; t > ten-3 && bTryAgain; t--)
+ {
+ for (f = 0; f < NFACT && bTryAgain; f++)
+ {
+ space = pow(10, t) * major_fact[f];
+ /* count how many ticks we would get: */
+ i = 0;
+ for (j = 0; j < n; j++)
+ {
+ if (bRmod(axis[j], offset, space) )
+ {
+ i++;
+ }
+ }
+ /* do we have a reasonable number of ticks ? */
+ bTryAgain = (i > min(10, n-1)) || (i < 5);
+ }
+ }
+ if (bTryAgain)
+ {
+ space = max(10*axis[1]-axis[0], axis[min(10, n-1)]-axis[0]);
+ fprintf(stderr, "Auto tick spacing failed for %c-axis, guessing %g\n",
+ axisnm, space);
+ }
+ *major = space;
+ *minor = space / minor_fact[f-1];
+ fprintf(stderr, "Auto tick spacing for %c-axis: major %g, minor %g\n",
+ axisnm, *major, *minor);
}
-void ps_mat(const char *outf,int nmat,t_matrix mat[],t_matrix mat2[],
- gmx_bool bFrame,gmx_bool bDiag,gmx_bool bFirstDiag,
- gmx_bool bTitle,gmx_bool bTitleOnce,gmx_bool bYonce,int elegend,
- real size,real boxx,real boxy,const char *m2p,const char *m2pout,
- int mapoffset)
+void ps_mat(const char *outf, int nmat, t_matrix mat[], t_matrix mat2[],
+ gmx_bool bFrame, gmx_bool bDiag, gmx_bool bFirstDiag,
+ gmx_bool bTitle, gmx_bool bTitleOnce, gmx_bool bYonce, int elegend,
+ real size, real boxx, real boxy, const char *m2p, const char *m2pout,
+ int mapoffset)
{
- const 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;
- gmx_bool bMap1,bNextMap1,bDiscrete;
-
- /* memory leak: */
- libm2p = m2p ? gmxlibfn(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);
+ const 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;
+ gmx_bool bMap1, bNextMap1, bDiscrete;
+
+ /* memory leak: */
+ libm2p = m2p ? gmxlibfn(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);
}
void make_axis_labels(int nmat, t_matrix *mat)
{
- int i,j;
-
- for (i=0; (i<nmat); i++) {
- /* Make labels for x axis */
- if (mat[i].axis_x==NULL) {
- snew(mat[i].axis_x,mat[i].nx);
- for(j=0; (j<mat[i].nx); j++)
- mat[i].axis_x[j]=j;
- }
- /* Make labels for y axis */
- if (mat[i].axis_y==NULL) {
- snew(mat[i].axis_y,mat[i].ny);
- for(j=0; (j<mat[i].ny); j++)
- mat[i].axis_y[j]=j;
- }
- }
-}
-
-void prune_mat(int nmat, t_matrix *mat,t_matrix *mat2, int skip)
+ int i, j;
+
+ for (i = 0; (i < nmat); i++)
+ {
+ /* Make labels for x axis */
+ if (mat[i].axis_x == NULL)
+ {
+ snew(mat[i].axis_x, mat[i].nx);
+ for (j = 0; (j < mat[i].nx); j++)
+ {
+ mat[i].axis_x[j] = j;
+ }
+ }
+ /* Make labels for y axis */
+ if (mat[i].axis_y == NULL)
+ {
+ snew(mat[i].axis_y, mat[i].ny);
+ for (j = 0; (j < mat[i].ny); j++)
+ {
+ mat[i].axis_y[j] = j;
+ }
+ }
+ }
+}
+
+void prune_mat(int nmat, t_matrix *mat, t_matrix *mat2, int skip)
{
- int i,x,y,xs,ys;
-
- for(i=0; i<nmat; i++) {
- fprintf(stderr,"converting %dx%d matrix to %dx%d\n",
- mat[i].nx, mat[i].ny,
- (mat[i].nx+skip-1)/skip, (mat[i].ny+skip-1)/skip);
- /* walk through matrix */
- xs=0;
- for(x=0; (x<mat[i].nx); x++)
- if (x % skip == 0) {
- mat[i].axis_x[xs] = mat[i].axis_x[x];
- if (mat2)
- mat2[i].axis_x[xs] = mat2[i].axis_x[x];
- ys=0;
- for(y=0; (y<mat[i].ny); y++) {
- if(x==0) {
- mat[i].axis_y[ys] = mat[i].axis_y[y];
- if (mat2)
- mat2[i].axis_y[ys] = mat2[i].axis_y[y];
- }
- if (y % skip == 0) {
- mat[i].matrix[xs][ys] = mat[i].matrix[x][y];
- if (mat2)
- mat2[i].matrix[xs][ys] = mat2[i].matrix[x][y];
- ys++;
- }
- }
- xs++;
- }
- /* adjust parameters */
- mat[i].nx = (mat[i].nx+skip-1)/skip;
- mat[i].ny = (mat[i].ny+skip-1)/skip;
- if (mat2) {
- mat2[i].nx = (mat2[i].nx+skip-1)/skip;
- mat2[i].ny = (mat2[i].ny+skip-1)/skip;
- }
- }
+ int i, x, y, xs, ys;
+
+ for (i = 0; i < nmat; i++)
+ {
+ fprintf(stderr, "converting %dx%d matrix to %dx%d\n",
+ mat[i].nx, mat[i].ny,
+ (mat[i].nx+skip-1)/skip, (mat[i].ny+skip-1)/skip);
+ /* walk through matrix */
+ xs = 0;
+ for (x = 0; (x < mat[i].nx); x++)
+ {
+ if (x % skip == 0)
+ {
+ mat[i].axis_x[xs] = mat[i].axis_x[x];
+ if (mat2)
+ {
+ mat2[i].axis_x[xs] = mat2[i].axis_x[x];
+ }
+ ys = 0;
+ for (y = 0; (y < mat[i].ny); y++)
+ {
+ if (x == 0)
+ {
+ mat[i].axis_y[ys] = mat[i].axis_y[y];
+ if (mat2)
+ {
+ mat2[i].axis_y[ys] = mat2[i].axis_y[y];
+ }
+ }
+ if (y % skip == 0)
+ {
+ mat[i].matrix[xs][ys] = mat[i].matrix[x][y];
+ if (mat2)
+ {
+ mat2[i].matrix[xs][ys] = mat2[i].matrix[x][y];
+ }
+ ys++;
+ }
+ }
+ xs++;
+ }
+ }
+ /* adjust parameters */
+ mat[i].nx = (mat[i].nx+skip-1)/skip;
+ mat[i].ny = (mat[i].ny+skip-1)/skip;
+ if (mat2)
+ {
+ mat2[i].nx = (mat2[i].nx+skip-1)/skip;
+ mat2[i].ny = (mat2[i].ny+skip-1)/skip;
+ }
+ }
}
void zero_lines(int nmat, t_matrix *mat, t_matrix *mat2)
{
- int i, x, y, m;
- t_matrix *mats;
-
- for(i=0; i<nmat; i++)
- for(m=0; m < (mat2 ? 2 : 1) ; m++) {
- if (m==0)
- mats=mat;
- else
- mats=mat2;
- for(x=0; x<mats[i].nx-1; x++)
- if (abs(mats[i].axis_x[x+1]) < 1e-5)
- for(y=0; y<mats[i].ny; y++)
- mats[i].matrix[x][y]=0;
- for(y=0; y<mats[i].ny-1; y++)
- if (abs(mats[i].axis_y[y+1]) < 1e-5)
- for(x=0; x<mats[i].nx; x++)
- mats[i].matrix[x][y]=0;
+ int i, x, y, m;
+ t_matrix *mats;
+
+ for (i = 0; i < nmat; i++)
+ {
+ for (m = 0; m < (mat2 ? 2 : 1); m++)
+ {
+ if (m == 0)
+ {
+ mats = mat;
+ }
+ else
+ {
+ mats = mat2;
+ }
+ for (x = 0; x < mats[i].nx-1; x++)
+ {
+ if (abs(mats[i].axis_x[x+1]) < 1e-5)
+ {
+ for (y = 0; y < mats[i].ny; y++)
+ {
+ mats[i].matrix[x][y] = 0;
+ }
+ }
+ }
+ for (y = 0; y < mats[i].ny-1; y++)
+ {
+ if (abs(mats[i].axis_y[y+1]) < 1e-5)
+ {
+ for (x = 0; x < mats[i].nx; x++)
+ {
+ mats[i].matrix[x][y] = 0;
+ }
+ }
+ }
+ }
}
}
void write_combined_matrix(int ecombine, const char *fn,
- int nmat, t_matrix *mat1, t_matrix *mat2,
- real *cmin,real *cmax)
+ int nmat, t_matrix *mat1, t_matrix *mat2,
+ real *cmin, real *cmax)
{
- int i, j, k, nlevels;
- t_mapping *map=NULL;
- FILE *out;
- real **rmat1, **rmat2;
- real rhi, rlo;
-
- out = ffopen(fn, "w");
- for(k=0; k<nmat; k++) {
- if ( mat2[k].nx!=mat1[k].nx || mat2[k].ny!=mat1[k].ny )
- gmx_fatal(FARGS,"Size of frame %d in 1st (%dx%d) and 2nd matrix (%dx%d) do"
- " not match.\n",k,mat1[k].nx,mat1[k].ny,mat2[k].nx,mat2[k].ny);
- printf("Combining two %dx%d matrices\n",mat1[k].nx,mat1[k].ny);
- rmat1 = matrix2real(&mat1[k], NULL);
- rmat2 = matrix2real(&mat2[k], NULL);
- if (NULL == rmat1 || NULL == rmat2)
- {
- gmx_fatal(FARGS, "Could not extract real data from %s xpm matrices. Note that, e.g.,\n"
- "g_rms and g_mdmat provide such data, but not do_dssp.\n",
- (NULL==rmat1 && NULL==rmat2) ? "both" : "one of the" );
- }
- rlo=1e38;
- rhi=-1e38;
- for(j=0; j<mat1[k].ny; j++)
- for(i=0; i<mat1[k].nx; i++) {
- switch (ecombine) {
- case ecAdd: rmat1[i][j] += rmat2[i][j]; break;
- case ecSub: rmat1[i][j] -= rmat2[i][j]; break;
- case ecMult: rmat1[i][j] *= rmat2[i][j]; break;
- case ecDiv: rmat1[i][j] /= rmat2[i][j]; break;
- default:
- gmx_fatal(FARGS,"No such combination rule %d for matrices",ecombine);
- }
- rlo = min(rlo, rmat1[i][j]);
- rhi = max(rhi, rmat1[i][j]);
- }
- if (cmin)
- rlo = *cmin;
- if (cmax)
- rhi = *cmax;
- nlevels = max(mat1[k].nmap,mat2[k].nmap);
- if (rhi==rlo)
- fprintf(stderr,
- "combination results in uniform matrix (%g), no output\n",rhi);
- /*
- else if (rlo>=0 || rhi<=0)
- write_xpm(out, mat1[k].flags, mat1[k].title, mat1[k].legend,
- mat1[k].label_x, mat1[k].label_y,
- mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
- rmat1, rlo, rhi, rhi<=0?red:white, rhi<=0?white:blue,
- &nlevels);
- else
- write_xpm3(out, mat2[k].flags, mat1[k].title, mat1[k].legend,
- mat1[k].label_x, mat1[k].label_y,
- mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
- rmat1, rlo, 0, rhi, red, white, blue, &nlevels);
- */
- else
- write_xpm(out, mat1[k].flags, mat1[k].title, mat1[k].legend,
- mat1[k].label_x, mat1[k].label_y,
- mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
- rmat1, rlo, rhi, white, black, &nlevels);
- }
- ffclose(out);
+ int i, j, k, nlevels;
+ t_mapping *map = NULL;
+ FILE *out;
+ real **rmat1, **rmat2;
+ real rhi, rlo;
+
+ out = ffopen(fn, "w");
+ for (k = 0; k < nmat; k++)
+ {
+ if (mat2[k].nx != mat1[k].nx || mat2[k].ny != mat1[k].ny)
+ {
+ gmx_fatal(FARGS, "Size of frame %d in 1st (%dx%d) and 2nd matrix (%dx%d) do"
+ " not match.\n", k, mat1[k].nx, mat1[k].ny, mat2[k].nx, mat2[k].ny);
+ }
+ printf("Combining two %dx%d matrices\n", mat1[k].nx, mat1[k].ny);
+ rmat1 = matrix2real(&mat1[k], NULL);
+ rmat2 = matrix2real(&mat2[k], NULL);
+ if (NULL == rmat1 || NULL == rmat2)
+ {
+ gmx_fatal(FARGS, "Could not extract real data from %s xpm matrices. Note that, e.g.,\n"
+ "g_rms and g_mdmat provide such data, but not do_dssp.\n",
+ (NULL == rmat1 && NULL == rmat2) ? "both" : "one of the" );
+ }
+ rlo = 1e38;
+ rhi = -1e38;
+ for (j = 0; j < mat1[k].ny; j++)
+ {
+ for (i = 0; i < mat1[k].nx; i++)
+ {
+ switch (ecombine)
+ {
+ case ecAdd: rmat1[i][j] += rmat2[i][j]; break;
+ case ecSub: rmat1[i][j] -= rmat2[i][j]; break;
+ case ecMult: rmat1[i][j] *= rmat2[i][j]; break;
+ case ecDiv: rmat1[i][j] /= rmat2[i][j]; break;
+ default:
+ gmx_fatal(FARGS, "No such combination rule %d for matrices", ecombine);
+ }
+ rlo = min(rlo, rmat1[i][j]);
+ rhi = max(rhi, rmat1[i][j]);
+ }
+ }
+ if (cmin)
+ {
+ rlo = *cmin;
+ }
+ if (cmax)
+ {
+ rhi = *cmax;
+ }
+ nlevels = max(mat1[k].nmap, mat2[k].nmap);
+ if (rhi == rlo)
+ {
+ fprintf(stderr,
+ "combination results in uniform matrix (%g), no output\n", rhi);
+ }
+ /*
+ else if (rlo>=0 || rhi<=0)
+ write_xpm(out, mat1[k].flags, mat1[k].title, mat1[k].legend,
+ mat1[k].label_x, mat1[k].label_y,
+ mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
+ rmat1, rlo, rhi, rhi<=0?red:white, rhi<=0?white:blue,
+ &nlevels);
+ else
+ write_xpm3(out, mat2[k].flags, mat1[k].title, mat1[k].legend,
+ mat1[k].label_x, mat1[k].label_y,
+ mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
+ rmat1, rlo, 0, rhi, red, white, blue, &nlevels);
+ */
+ else
+ {
+ write_xpm(out, mat1[k].flags, mat1[k].title, mat1[k].legend,
+ mat1[k].label_x, mat1[k].label_y,
+ mat1[k].nx, mat1[k].ny, mat1[k].axis_x, mat1[k].axis_y,
+ rmat1, rlo, rhi, white, black, &nlevels);
+ }
+ }
+ ffclose(out);
}
-void do_mat(int nmat,t_matrix *mat,t_matrix *mat2,
- gmx_bool bFrame,gmx_bool bZeroLine,gmx_bool bDiag,gmx_bool bFirstDiag,gmx_bool bTitle,
- gmx_bool bTitleOnce,gmx_bool bYonce,int elegend,
- real size,real boxx,real boxy,
- const char *epsfile,const char *xpmfile,const char *m2p,
- const char *m2pout,int skip, int mapoffset)
+void do_mat(int nmat, t_matrix *mat, t_matrix *mat2,
+ gmx_bool bFrame, gmx_bool bZeroLine, gmx_bool bDiag, gmx_bool bFirstDiag, gmx_bool bTitle,
+ gmx_bool bTitleOnce, gmx_bool bYonce, int elegend,
+ real size, real boxx, real boxy,
+ const char *epsfile, const char *xpmfile, const char *m2p,
+ const char *m2pout, int skip, int mapoffset)
{
- int i,j,k;
-
- if (mat2) {
- for (k=0; (k<nmat); k++) {
- if ((mat2[k].nx!=mat[k].nx) || (mat2[k].ny!=mat[k].ny))
- gmx_fatal(FARGS,"WAKE UP!! Size of frame %d in 2nd matrix file (%dx%d) does not match size of 1st matrix (%dx%d) or the other way around.\n",
- k,mat2[k].nx,mat2[k].ny,mat[k].nx,mat[k].ny);
- for (j=0; (j<mat[k].ny); j++)
- for (i=bFirstDiag?j+1:j; (i<mat[k].nx); i++)
- mat[k].matrix[i][j]=mat2[k].matrix[i][j];
- }
- }
- for(i=0; (i<nmat); i++)
- fprintf(stderr,"Matrix %d is %d x %d\n",i,mat[i].nx,mat[i].ny);
-
- make_axis_labels(nmat, mat);
-
- if (skip > 1)
- prune_mat(nmat,mat,mat2,skip);
-
- if (bZeroLine)
- zero_lines(nmat,mat,mat);
-
- if (epsfile!=NULL)
- ps_mat(epsfile,nmat,mat,mat2,bFrame,bDiag,bFirstDiag,
- bTitle,bTitleOnce,bYonce,elegend,
- size,boxx,boxy,m2p,m2pout,mapoffset);
- if (xpmfile!=NULL)
- xpm_mat(xpmfile,nmat,mat,mat2,bDiag,bFirstDiag);
+ int i, j, k;
+
+ if (mat2)
+ {
+ for (k = 0; (k < nmat); k++)
+ {
+ if ((mat2[k].nx != mat[k].nx) || (mat2[k].ny != mat[k].ny))
+ {
+ gmx_fatal(FARGS, "WAKE UP!! Size of frame %d in 2nd matrix file (%dx%d) does not match size of 1st matrix (%dx%d) or the other way around.\n",
+ k, mat2[k].nx, mat2[k].ny, mat[k].nx, mat[k].ny);
+ }
+ for (j = 0; (j < mat[k].ny); j++)
+ {
+ for (i = bFirstDiag ? j+1 : j; (i < mat[k].nx); i++)
+ {
+ mat[k].matrix[i][j] = mat2[k].matrix[i][j];
+ }
+ }
+ }
+ }
+ for (i = 0; (i < nmat); i++)
+ {
+ fprintf(stderr, "Matrix %d is %d x %d\n", i, mat[i].nx, mat[i].ny);
+ }
+
+ make_axis_labels(nmat, mat);
+
+ if (skip > 1)
+ {
+ prune_mat(nmat, mat, mat2, skip);
+ }
+
+ if (bZeroLine)
+ {
+ zero_lines(nmat, mat, mat);
+ }
+
+ if (epsfile != NULL)
+ {
+ ps_mat(epsfile, nmat, mat, mat2, bFrame, bDiag, bFirstDiag,
+ bTitle, bTitleOnce, bYonce, elegend,
+ size, boxx, boxy, m2p, m2pout, mapoffset);
+ }
+ if (xpmfile != NULL)
+ {
+ xpm_mat(xpmfile, nmat, mat, mat2, bDiag, bFirstDiag);
+ }
}
void gradient_map(rvec grad, int nmap, t_mapping map[])
{
- int i;
- real c;
-
- for(i=0; i<nmap; i++) {
- c = i/(nmap-1.0);
- map[i].rgb.r = 1-c*(1-grad[XX]);
- map[i].rgb.g = 1-c*(1-grad[YY]);
- map[i].rgb.b = 1-c*(1-grad[ZZ]);
- }
+ int i;
+ real c;
+
+ for (i = 0; i < nmap; i++)
+ {
+ c = i/(nmap-1.0);
+ map[i].rgb.r = 1-c*(1-grad[XX]);
+ map[i].rgb.g = 1-c*(1-grad[YY]);
+ map[i].rgb.b = 1-c*(1-grad[ZZ]);
+ }
}
-
+
void gradient_mat(rvec grad, int nmat, t_matrix mat[])
{
- int m;
-
- for(m=0; m<nmat; m++)
- gradient_map(grad, mat[m].nmap, mat[m].map);
+ int m;
+
+ for (m = 0; m < nmat; m++)
+ {
+ gradient_map(grad, mat[m].nmap, mat[m].map);
+ }
}
void rainbow_map(gmx_bool bBlue, int nmap, t_mapping map[])
{
- int i;
- real c,r,g,b;
-
- for(i=0; i<nmap; i++) {
- c = (map[i].rgb.r + map[i].rgb.g + map[i].rgb.b)/3;
- if (c > 1)
- c = 1;
- if (bBlue)
- c = 1 - c;
- if (c <= 0.25) { /* 0-0.25 */
- r = 0;
- g = pow(4*c,0.666);
- b = 1;
- } else if (c <= 0.5) { /* 0.25-0.5 */
- r = 0;
- g = 1;
- b = pow(2-4*c,0.666);
- } else if (c <= 0.75) { /* 0.5-0.75 */
- r = pow(4*c-2,0.666);
- g = 1;
- b = 0;
- } else { /* 0.75-1 */
- r = 1;
- g = pow(4-4*c,0.666);
- b = 0;
- }
- map[i].rgb.r = r;
- map[i].rgb.g = g;
- map[i].rgb.b = b;
- }
+ int i;
+ real c, r, g, b;
+
+ for (i = 0; i < nmap; i++)
+ {
+ c = (map[i].rgb.r + map[i].rgb.g + map[i].rgb.b)/3;
+ if (c > 1)
+ {
+ c = 1;
+ }
+ if (bBlue)
+ {
+ c = 1 - c;
+ }
+ if (c <= 0.25) /* 0-0.25 */
+ {
+ r = 0;
+ g = pow(4*c, 0.666);
+ b = 1;
+ }
+ else if (c <= 0.5) /* 0.25-0.5 */
+ {
+ r = 0;
+ g = 1;
+ b = pow(2-4*c, 0.666);
+ }
+ else if (c <= 0.75) /* 0.5-0.75 */
+ {
+ r = pow(4*c-2, 0.666);
+ g = 1;
+ b = 0;
+ }
+ else /* 0.75-1 */
+ {
+ r = 1;
+ g = pow(4-4*c, 0.666);
+ b = 0;
+ }
+ map[i].rgb.r = r;
+ map[i].rgb.g = g;
+ map[i].rgb.b = b;
+ }
}
void rainbow_mat(gmx_bool bBlue, int nmat, t_matrix mat[])
{
- int m;
-
- for(m=0; m<nmat; m++)
- rainbow_map(bBlue, mat[m].nmap, mat[m].map);
+ int m;
+
+ for (m = 0; m < nmat; m++)
+ {
+ rainbow_map(bBlue, mat[m].nmap, mat[m].map);
+ }
}
-
-int gmx_xpm2ps(int argc,char *argv[])
+
+int gmx_xpm2ps(int argc, char *argv[])
{
- const char *desc[] = {
- "[TT]xpm2ps[tt] makes a beautiful color plot of an XPixelMap file.",
- "Labels and axis can be displayed, when they are supplied",
- "in the correct matrix format.",
- "Matrix data may be generated by programs such as [TT]do_dssp[tt], [TT]g_rms[tt] or",
- "[TT]g_mdmat[tt].[PAR]",
- "Parameters are set in the [TT].m2p[tt] file optionally supplied with",
- "[TT]-di[tt]. Reasonable defaults are provided. Settings for the [IT]y[it]-axis",
- "default to those for the [IT]x[it]-axis. Font names have a defaulting hierarchy:",
- "titlefont -> legendfont; titlefont -> (xfont -> yfont -> ytickfont)",
- "-> xtickfont, e.g. setting titlefont sets all fonts, setting xfont",
- "sets yfont, ytickfont and xtickfont.[PAR]",
- "When no [TT].m2p[tt] file is supplied, many settings are taken from",
- "command line options. The most important option is [TT]-size[tt],",
- "which sets the size of the whole matrix in postscript units.",
- "This option can be overridden with the [TT]-bx[tt] and [TT]-by[tt]",
- "options (and the corresponding parameters in the [TT].m2p[tt] file),",
- "which set the size of a single matrix element.[PAR]",
- "With [TT]-f2[tt] a second matrix file can be supplied. Both matrix",
- "files will be read simultaneously and the upper left half of the",
- "first one ([TT]-f[tt]) is plotted together with the lower right",
- "half of the second one ([TT]-f2[tt]). The diagonal will contain",
- "values from the matrix file selected with [TT]-diag[tt].",
- "Plotting of the diagonal values can be suppressed altogether by",
- "setting [TT]-diag[tt] to [TT]none[tt].",
- "In this case, a new color map will be generated with",
- "a red gradient for negative numbers and a blue for positive.",
- "If the color coding and legend labels of both matrices are identical,",
- "only one legend will be displayed, else two separate legends are",
- "displayed.",
- "With [TT]-combine[tt], an alternative operation can be selected",
- "to combine the matrices. The output range is automatically set",
- "to the actual range of the combined matrix. This can be overridden",
- "with [TT]-cmin[tt] and [TT]-cmax[tt].[PAR]",
- "[TT]-title[tt] can be set to [TT]none[tt] to suppress the title, or to",
- "[TT]ylabel[tt] to show the title in the Y-label position (alongside",
- "the [IT]y[it]-axis).[PAR]",
- "With the [TT]-rainbow[tt] option, dull grayscale matrices can be turned",
- "into attractive color pictures.[PAR]",
- "Merged or rainbowed matrices can be written to an XPixelMap file with",
- "the [TT]-xpm[tt] option."
- };
-
- output_env_t oenv;
- const char *fn,*epsfile=NULL,*xpmfile=NULL;
- int i,nmat,nmat2,etitle,elegend,ediag,erainbow,ecombine;
- t_matrix *mat=NULL,*mat2=NULL;
- gmx_bool bTitle,bTitleOnce,bDiag,bFirstDiag,bGrad;
- static gmx_bool bFrame=TRUE,bZeroLine=FALSE,bYonce=FALSE,bAdd=FALSE;
- static real size=400,boxx=0,boxy=0,cmin=0,cmax=0;
- static rvec grad={0,0,0};
- enum { etSel, etTop, etOnce, etYlabel, etNone, etNR };
- const char *title[] = { NULL, "top", "once", "ylabel", "none", NULL };
- /* MUST correspond to enum elXxx as defined at top of file */
- const char *legend[] = { NULL, "both", "first", "second", "none", NULL };
- enum { edSel, edFirst, edSecond, edNone, edNR };
- const char *diag[] = { NULL, "first", "second", "none", NULL };
- enum { erSel, erNo, erBlue, erRed, erNR };
- const char *rainbow[] = { NULL, "no", "blue", "red", NULL };
- /* MUST correspond to enum ecXxx as defined at top of file */
- const char *combine[] = {
- NULL, "halves", "add", "sub", "mult", "div", NULL };
- static int skip=1,mapoffset=0;
- t_pargs pa[] = {
- { "-frame", FALSE, etBOOL, {&bFrame},
- "Display frame, ticks, labels, title and legend" },
- { "-title", FALSE, etENUM, {title}, "Show title at" },
- { "-yonce", FALSE, etBOOL, {&bYonce}, "Show y-label only once" },
- { "-legend", FALSE, etENUM, {legend}, "Show legend" },
- { "-diag", FALSE, etENUM, {diag}, "Diagonal" },
- { "-size", FALSE, etREAL, {&size},
- "Horizontal size of the matrix in ps units" },
- { "-bx", FALSE, etREAL, {&boxx},
- "Element x-size, overrides [TT]-size[tt] (also y-size when [TT]-by[tt] is not set)" },
- { "-by", FALSE, etREAL, {&boxy}, "Element y-size" },
- { "-rainbow", FALSE, etENUM, {rainbow},
- "Rainbow colors, convert white to" },
- { "-gradient",FALSE, etRVEC, {grad},
- "Re-scale colormap to a smooth gradient from white {1,1,1} to {r,g,b}" },
- { "-skip", FALSE, etINT, {&skip},
- "only write out every nr-th row and column" },
- { "-zeroline",FALSE, etBOOL, {&bZeroLine},
- "insert line in [TT].xpm[tt] matrix where axis label is zero"},
- { "-legoffset", FALSE, etINT, {&mapoffset},
- "Skip first N colors from [TT].xpm[tt] file for the legend" },
- { "-combine", FALSE, etENUM, {combine}, "Combine two matrices" },
- { "-cmin", FALSE, etREAL, {&cmin}, "Minimum for combination output" },
- { "-cmax", FALSE, etREAL, {&cmax}, "Maximum for combination output" }
- };
+ const char *desc[] = {
+ "[TT]xpm2ps[tt] makes a beautiful color plot of an XPixelMap file.",
+ "Labels and axis can be displayed, when they are supplied",
+ "in the correct matrix format.",
+ "Matrix data may be generated by programs such as [TT]do_dssp[tt], [TT]g_rms[tt] or",
+ "[TT]g_mdmat[tt].[PAR]",
+ "Parameters are set in the [TT].m2p[tt] file optionally supplied with",
+ "[TT]-di[tt]. Reasonable defaults are provided. Settings for the [IT]y[it]-axis",
+ "default to those for the [IT]x[it]-axis. Font names have a defaulting hierarchy:",
+ "titlefont -> legendfont; titlefont -> (xfont -> yfont -> ytickfont)",
+ "-> xtickfont, e.g. setting titlefont sets all fonts, setting xfont",
+ "sets yfont, ytickfont and xtickfont.[PAR]",
+ "When no [TT].m2p[tt] file is supplied, many settings are taken from",
+ "command line options. The most important option is [TT]-size[tt],",
+ "which sets the size of the whole matrix in postscript units.",
+ "This option can be overridden with the [TT]-bx[tt] and [TT]-by[tt]",
+ "options (and the corresponding parameters in the [TT].m2p[tt] file),",
+ "which set the size of a single matrix element.[PAR]",
+ "With [TT]-f2[tt] a second matrix file can be supplied. Both matrix",
+ "files will be read simultaneously and the upper left half of the",
+ "first one ([TT]-f[tt]) is plotted together with the lower right",
+ "half of the second one ([TT]-f2[tt]). The diagonal will contain",
+ "values from the matrix file selected with [TT]-diag[tt].",
+ "Plotting of the diagonal values can be suppressed altogether by",
+ "setting [TT]-diag[tt] to [TT]none[tt].",
+ "In this case, a new color map will be generated with",
+ "a red gradient for negative numbers and a blue for positive.",
+ "If the color coding and legend labels of both matrices are identical,",
+ "only one legend will be displayed, else two separate legends are",
+ "displayed.",
+ "With [TT]-combine[tt], an alternative operation can be selected",
+ "to combine the matrices. The output range is automatically set",
+ "to the actual range of the combined matrix. This can be overridden",
+ "with [TT]-cmin[tt] and [TT]-cmax[tt].[PAR]",
+ "[TT]-title[tt] can be set to [TT]none[tt] to suppress the title, or to",
+ "[TT]ylabel[tt] to show the title in the Y-label position (alongside",
+ "the [IT]y[it]-axis).[PAR]",
+ "With the [TT]-rainbow[tt] option, dull grayscale matrices can be turned",
+ "into attractive color pictures.[PAR]",
+ "Merged or rainbowed matrices can be written to an XPixelMap file with",
+ "the [TT]-xpm[tt] option."
+ };
+
+ output_env_t oenv;
+ const char *fn, *epsfile = NULL, *xpmfile = NULL;
+ int i, nmat, nmat2, etitle, elegend, ediag, erainbow, ecombine;
+ t_matrix *mat = NULL, *mat2 = NULL;
+ gmx_bool bTitle, bTitleOnce, bDiag, bFirstDiag, bGrad;
+ static gmx_bool bFrame = TRUE, bZeroLine = FALSE, bYonce = FALSE, bAdd = FALSE;
+ static real size = 400, boxx = 0, boxy = 0, cmin = 0, cmax = 0;
+ static rvec grad = {0, 0, 0};
+ enum {
+ etSel, etTop, etOnce, etYlabel, etNone, etNR
+ };
+ const char *title[] = { NULL, "top", "once", "ylabel", "none", NULL };
+ /* MUST correspond to enum elXxx as defined at top of file */
+ const char *legend[] = { NULL, "both", "first", "second", "none", NULL };
+ enum {
+ edSel, edFirst, edSecond, edNone, edNR
+ };
+ const char *diag[] = { NULL, "first", "second", "none", NULL };
+ enum {
+ erSel, erNo, erBlue, erRed, erNR
+ };
+ const char *rainbow[] = { NULL, "no", "blue", "red", NULL };
+ /* MUST correspond to enum ecXxx as defined at top of file */
+ const char *combine[] = {
+ NULL, "halves", "add", "sub", "mult", "div", NULL
+ };
+ static int skip = 1, mapoffset = 0;
+ t_pargs pa[] = {
+ { "-frame", FALSE, etBOOL, {&bFrame},
+ "Display frame, ticks, labels, title and legend" },
+ { "-title", FALSE, etENUM, {title}, "Show title at" },
+ { "-yonce", FALSE, etBOOL, {&bYonce}, "Show y-label only once" },
+ { "-legend", FALSE, etENUM, {legend}, "Show legend" },
+ { "-diag", FALSE, etENUM, {diag}, "Diagonal" },
+ { "-size", FALSE, etREAL, {&size},
+ "Horizontal size of the matrix in ps units" },
+ { "-bx", FALSE, etREAL, {&boxx},
+ "Element x-size, overrides [TT]-size[tt] (also y-size when [TT]-by[tt] is not set)" },
+ { "-by", FALSE, etREAL, {&boxy}, "Element y-size" },
+ { "-rainbow", FALSE, etENUM, {rainbow},
+ "Rainbow colors, convert white to" },
+ { "-gradient", FALSE, etRVEC, {grad},
+ "Re-scale colormap to a smooth gradient from white {1,1,1} to {r,g,b}" },
+ { "-skip", FALSE, etINT, {&skip},
+ "only write out every nr-th row and column" },
+ { "-zeroline", FALSE, etBOOL, {&bZeroLine},
+ "insert line in [TT].xpm[tt] matrix where axis label is zero"},
+ { "-legoffset", FALSE, etINT, {&mapoffset},
+ "Skip first N colors from [TT].xpm[tt] file for the legend" },
+ { "-combine", FALSE, etENUM, {combine}, "Combine two matrices" },
+ { "-cmin", FALSE, etREAL, {&cmin}, "Minimum for combination output" },
+ { "-cmax", FALSE, etREAL, {&cmax}, "Maximum for combination output" }
+ };
#define NPA asize(pa)
- t_filenm fnm[] = {
- { efXPM, "-f", NULL, ffREAD },
- { efXPM, "-f2", "root2", ffOPTRD },
- { efM2P, "-di", NULL, ffLIBOPTRD },
- { efM2P, "-do", "out", ffOPTWR },
- { efEPS, "-o", NULL, ffOPTWR },
- { efXPM, "-xpm",NULL, ffOPTWR }
- };
+ t_filenm fnm[] = {
+ { efXPM, "-f", NULL, ffREAD },
+ { efXPM, "-f2", "root2", ffOPTRD },
+ { efM2P, "-di", NULL, ffLIBOPTRD },
+ { efM2P, "-do", "out", ffOPTWR },
+ { efEPS, "-o", NULL, ffOPTWR },
+ { efXPM, "-xpm", NULL, ffOPTWR }
+ };
#define NFILE asize(fnm)
-
- parse_common_args(&argc,argv,PCA_CAN_VIEW,
- NFILE,fnm,NPA,pa,
- asize(desc),desc,0,NULL,&oenv);
-
- etitle = nenum(title);
- elegend = nenum(legend);
- ediag = nenum(diag);
- erainbow = nenum(rainbow);
- ecombine = nenum(combine);
- bGrad = opt2parg_bSet("-gradient",NPA,pa);
- for(i=0; i<DIM; i++)
- if (grad[i] < 0 || grad[i] > 1)
- gmx_fatal(FARGS, "RGB value %g out of range (0.0-1.0)", grad[i]);
- if (!bFrame) {
- etitle = etNone;
- elegend = elNone;
- }
-
- epsfile=ftp2fn_null(efEPS,NFILE,fnm);
- xpmfile=opt2fn_null("-xpm",NFILE,fnm);
- if ( epsfile==NULL && xpmfile==NULL ) {
- if (ecombine!=ecHalves)
- xpmfile=opt2fn("-xpm",NFILE,fnm);
+
+ parse_common_args(&argc, argv, PCA_CAN_VIEW,
+ NFILE, fnm, NPA, pa,
+ asize(desc), desc, 0, NULL, &oenv);
+
+ etitle = nenum(title);
+ elegend = nenum(legend);
+ ediag = nenum(diag);
+ erainbow = nenum(rainbow);
+ ecombine = nenum(combine);
+ bGrad = opt2parg_bSet("-gradient", NPA, pa);
+ for (i = 0; i < DIM; i++)
+ {
+ if (grad[i] < 0 || grad[i] > 1)
+ {
+ gmx_fatal(FARGS, "RGB value %g out of range (0.0-1.0)", grad[i]);
+ }
+ }
+ if (!bFrame)
+ {
+ etitle = etNone;
+ elegend = elNone;
+ }
+
+ epsfile = ftp2fn_null(efEPS, NFILE, fnm);
+ xpmfile = opt2fn_null("-xpm", NFILE, fnm);
+ if (epsfile == NULL && xpmfile == NULL)
+ {
+ if (ecombine != ecHalves)
+ {
+ xpmfile = opt2fn("-xpm", NFILE, fnm);
+ }
+ else
+ {
+ epsfile = ftp2fn(efEPS, NFILE, fnm);
+ }
+ }
+ if (ecombine != ecHalves && epsfile)
+ {
+ fprintf(stderr,
+ "WARNING: can only write result of arithmetic combination "
+ "of two matrices to .xpm file\n"
+ " file %s will not be written\n", epsfile);
+ epsfile = NULL;
+ }
+
+ bDiag = ediag != edNone;
+ bFirstDiag = ediag != edSecond;
+
+ fn = opt2fn("-f", NFILE, fnm);
+ nmat = read_xpm_matrix(fn, &mat);
+ fprintf(stderr, "There %s %d matri%s in %s\n", (nmat > 1) ? "are" : "is", nmat, (nmat > 1) ? "ces" : "x", fn);
+ fn = opt2fn_null("-f2", NFILE, fnm);
+ if (fn)
+ {
+ nmat2 = read_xpm_matrix(fn, &mat2);
+ fprintf(stderr, "There %s %d matri%s in %s\n", (nmat2 > 1) ? "are" : "is", nmat2, (nmat2 > 1) ? "ces" : "x", fn);
+ if (nmat != nmat2)
+ {
+ fprintf(stderr, "Different number of matrices, using the smallest number.\n");
+ nmat = nmat2 = min(nmat, nmat2);
+ }
+ }
else
- epsfile=ftp2fn(efEPS,NFILE,fnm);
- }
- if (ecombine!=ecHalves && epsfile) {
- fprintf(stderr,
- "WARNING: can only write result of arithmetic combination "
- "of two matrices to .xpm file\n"
- " file %s will not be written\n", epsfile);
- epsfile = NULL;
- }
-
- bDiag = ediag!=edNone;
- bFirstDiag = ediag!=edSecond;
-
- fn=opt2fn("-f",NFILE,fnm);
- nmat=read_xpm_matrix(fn,&mat);
- fprintf(stderr,"There %s %d matri%s in %s\n",(nmat>1)?"are":"is",nmat,(nmat>1)?"ces":"x",fn);
- fn=opt2fn_null("-f2",NFILE,fnm);
- if (fn) {
- nmat2=read_xpm_matrix(fn,&mat2);
- fprintf(stderr,"There %s %d matri%s in %s\n",(nmat2>1)?"are":"is",nmat2,(nmat2>1)?"ces":"x",fn);
- if (nmat != nmat2) {
- fprintf(stderr,"Different number of matrices, using the smallest number.\n");
- nmat=nmat2=min(nmat,nmat2);
- }
- } else {
- if (ecombine!=ecHalves)
- fprintf(stderr,
- "WARNING: arithmetic matrix combination selected (-combine), "
- "but no second matrix (-f2) supplied\n"
- " no matrix combination will be performed\n");
- ecombine=0;
- nmat2=0;
- }
- bTitle = etitle==etTop;
- bTitleOnce = etitle==etOnce;
- if ( etitle==etYlabel )
- for (i=0; (i<nmat); i++) {
- strcpy(mat[i].label_y, mat[i].title);
- if (mat2)
- strcpy(mat2[i].label_y, mat2[i].title);
- }
- if (bGrad) {
- gradient_mat(grad,nmat,mat);
- if (mat2)
- gradient_mat(grad,nmat2,mat2);
- }
- if (erainbow!=erNo) {
- rainbow_mat(erainbow==erBlue,nmat,mat);
- if (mat2)
- rainbow_mat(erainbow==erBlue,nmat2,mat2);
- }
-
- if ((mat2 == NULL) && (elegend!=elNone))
- elegend = elFirst;
-
- if (ecombine && ecombine!=ecHalves)
- write_combined_matrix(ecombine, xpmfile, nmat, mat, mat2,
- opt2parg_bSet("-cmin",NPA,pa) ? &cmin : NULL,
- opt2parg_bSet("-cmax",NPA,pa) ? &cmax : NULL);
- else
- do_mat(nmat,mat,mat2,bFrame,bZeroLine,bDiag,bFirstDiag,
- bTitle,bTitleOnce,bYonce,
- elegend,size,boxx,boxy,epsfile,xpmfile,
- opt2fn_null("-di",NFILE,fnm),opt2fn_null("-do",NFILE,fnm), skip,
- mapoffset);
-
- view_all(oenv,NFILE, fnm);
-
- thanx(stderr);
-
- return 0;
+ {
+ if (ecombine != ecHalves)
+ {
+ fprintf(stderr,
+ "WARNING: arithmetic matrix combination selected (-combine), "
+ "but no second matrix (-f2) supplied\n"
+ " no matrix combination will be performed\n");
+ }
+ ecombine = 0;
+ nmat2 = 0;
+ }
+ bTitle = etitle == etTop;
+ bTitleOnce = etitle == etOnce;
+ if (etitle == etYlabel)
+ {
+ for (i = 0; (i < nmat); i++)
+ {
+ strcpy(mat[i].label_y, mat[i].title);
+ if (mat2)
+ {
+ strcpy(mat2[i].label_y, mat2[i].title);
+ }
+ }
+ }
+ if (bGrad)
+ {
+ gradient_mat(grad, nmat, mat);
+ if (mat2)
+ {
+ gradient_mat(grad, nmat2, mat2);
+ }
+ }
+ if (erainbow != erNo)
+ {
+ rainbow_mat(erainbow == erBlue, nmat, mat);
+ if (mat2)
+ {
+ rainbow_mat(erainbow == erBlue, nmat2, mat2);
+ }
+ }
+
+ if ((mat2 == NULL) && (elegend != elNone))
+ {
+ elegend = elFirst;
+ }
+
+ if (ecombine && ecombine != ecHalves)
+ {
+ write_combined_matrix(ecombine, xpmfile, nmat, mat, mat2,
+ opt2parg_bSet("-cmin", NPA, pa) ? &cmin : NULL,
+ opt2parg_bSet("-cmax", NPA, pa) ? &cmax : NULL);
+ }
+ else
+ {
+ do_mat(nmat, mat, mat2, bFrame, bZeroLine, bDiag, bFirstDiag,
+ bTitle, bTitleOnce, bYonce,
+ elegend, size, boxx, boxy, epsfile, xpmfile,
+ opt2fn_null("-di", NFILE, fnm), opt2fn_null("-do", NFILE, fnm), skip,
+ mapoffset);
+ }
+
+ view_all(oenv, NFILE, fnm);
+
+ thanx(stderr);
+
+ return 0;
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff