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46 #include "gmx_random.h"
47 #include "gmx_statistics.h"
49 static void horizontal()
54 real y,a,b,da,db,aver,sigma,error,chi2,R,*xh,*yh;
57 rng = gmx_rng_init(13);
58 straight = gmx_stats_init();
59 for(i=0; (i<n); i++) {
60 y = gmx_rng_uniform_real(rng);
61 if ((ok = gmx_stats_add_point(straight,i,y,0,0)) != estatsOK)
62 fprintf(stderr,"%s\n",gmx_stats_message(ok));
65 if ((ok = gmx_stats_get_ase(straight,&aver,&sigma,&error)) != estatsOK)
66 fprintf(stderr,"%s\n",gmx_stats_message(ok));
67 fp = fopen("straight.xvg","w");
68 if ((ok = gmx_stats_dump_xy(straight,fp)) != estatsOK)
69 fprintf(stderr,"%s\n",gmx_stats_message(ok));
71 printf("Horizontal line: average %g, sigma %g, error %g\n",aver,sigma,error);
72 if ((ok = gmx_stats_done(straight)) != estatsOK)
73 fprintf(stderr,"%s\n",gmx_stats_message(ok));
81 real y,a,b,da,db,aver,sigma,error,chi2,R,rfit;
82 const real a0=0.23,b0=2.7;
85 for(dy=0; (dy<2); dy++) {
86 rng = gmx_rng_init(13);
87 line = gmx_stats_init();
88 for(i=0; (i<n); i++) {
89 y = a0*i+b0+50*(gmx_rng_uniform_real(rng)-0.5);
90 if ((ok = gmx_stats_add_point(line,i,y,0,dy*0.1)) != estatsOK)
91 fprintf(stderr,"%s\n",gmx_stats_message(ok));
93 /* Line with slope test */
94 if ((ok = gmx_stats_get_ab(line,elsqWEIGHT_NONE,&a,&b,&da,&db,&chi2,&rfit)) != estatsOK)
95 fprintf(stderr,"%s\n",gmx_stats_message(ok));
96 if ((ok = gmx_stats_get_corr_coeff(line,&R)) != estatsOK)
97 fprintf(stderr,"%s\n",gmx_stats_message(ok));
99 fp = fopen("line0.xvg","w");
101 fp = fopen("line1.xvg","w");
102 if ((ok = gmx_stats_dump_xy(line,fp)) != estatsOK)
103 fprintf(stderr,"%s\n",gmx_stats_message(ok));
105 printf("Line with eqn. y = %gx + %g with noise%s\n",a0,b0,
106 (dy == 0) ? "" : " and uncertainties");
107 printf("Found: a = %g +/- %g, b = %g +/- %g\n",a,da,b,db);
108 if ((ok = gmx_stats_done(line)) != estatsOK)
109 fprintf(stderr,"%s\n",gmx_stats_message(ok));
110 gmx_rng_destroy(rng);
114 static void histogram()
118 int i,ok,n=1000,norm;
119 real y,a,b,da,db,aver,sigma,error,chi2,R,*xh,*yh;
120 const real a0=0.23,b0=2.7;
124 for(norm=0; (norm<2); norm++) {
125 rng = gmx_rng_init(13);
126 camel = gmx_stats_init();
127 for(i=0; (i<n); i++) {
128 y = sqr(gmx_rng_uniform_real(rng));
129 if ((ok = gmx_stats_add_point(camel,i,y+1,0,0)) != estatsOK)
130 fprintf(stderr,"%s\n",gmx_stats_message(ok));
131 y = sqr(gmx_rng_uniform_real(rng));
132 if ((ok = gmx_stats_add_point(camel,i+0.5,y+2,0,0)) != estatsOK)
133 fprintf(stderr,"%s\n",gmx_stats_message(ok));
136 if ((ok = gmx_stats_make_histogram(camel,0,101,norm,&xh,&yh)) != estatsOK)
137 fprintf(stderr,"%s\n",gmx_stats_message(ok));
138 sprintf(fn,"histo%d-data.xvg",norm);
140 gmx_stats_dump_xy(camel,fp);
142 sprintf(fn,"histo%d.xvg",norm);
144 for(i=0; (i<101); i++)
145 fprintf(fp,"%12g %12g\n",xh[i],yh[i]);
152 int main(int argc,char *argv[])