Spectral x,y-data fitting to the sum of surge functions and delay time.
f(x) = a1*x*exp(-k1*x) + a2*x*exp(-k2*x) + a3*x*exp(-k3*x) + ... where a and k parameters are larger than zero.
66 {
67 int verbose=0;
if(status!=NULL) verbose=status->
verbose;
68 if(verbose>0) printf("%s()\n", __func__);
69 else if(verbose>1) {
70 printf("%s(x, ", __func__);
71 if(x2==NULL) printf("null, y, "); else printf("x2, y, ");
72 if(w==NULL) printf("null"); else printf("w");
73 printf(" , %d, %.1e, %.1e, %d, %g, %g, %g, *k, *a, *dtEst, *yfit\n",
74 sNr, kMin, kMax, fNr, dtMin, dtMax, dtStep);
75 }
76 if(x==NULL || y==NULL) {
79 }
80 if(sNr<4) {
81 if(verbose>1) fprintf(stderr, "invalid number of samples\n");
84 }
85 if(fNr<4) {
86 if(verbose>1) fprintf(stderr, "invalid number of functions\n");
89 }
90 if(!(kMin>0.0) || !(kMax>kMin)) {
91 if(verbose>1) fprintf(stderr, "invalid k range\n");
94 }
95 double dtRange=dtMax-dtMin;
96 if(!(dtRange>=0.0) || (dtRange>0.0 && !(dtStep<0.2*dtRange))) {
97 if(verbose>1) fprintf(stderr, "invalid delay time settings\n");
100 }
101
102
103 double *lk, *la, *localp;
104 localp=(double*)malloc(sizeof(double)*fNr*2);
105 if(localp==NULL) {
108 }
109 lk=localp; la=localp+fNr;
110
111 if(verbose>2) printf("computing k values\n");
112#if(1)
113 {
114 double r1, r2, s;
115 r1=log(kMin); r2=log(kMax); s=(r2-r1)/(double)(fNr-1);
116 if(verbose>3) printf(" r1 := %g\n r2 := %g\n s := %g\n", r1, r2, s);
117 for(int bi=0; bi<fNr; bi++) lk[bi]=exp((double)bi*s+r1);
118 }
119#else
120 {
121 double r1, r2, s;
122 r1=log10(kMin); r2=log10(kMax); s=(r2-r1)/(double)(fNr-1);
123 if(verbose>3) printf(" r1 := %g\n r2 := %g\n s := %g\n", r1, r2, s);
124 for(int bi=0; bi<fNr; bi++) lk[bi]=pow(10.0, (double)bi*s+r1);
125 }
126#endif
127
128 if(verbose>2) printf("computing the range of delay times to test\n");
129
130
131
132 if(verbose>2) printf("allocating memory for LLSQ\n");
135 int ret=0;
137 free(localp);
138 statusSet(status, __func__, __FILE__, __LINE__, ret);
139 return(ret);
140 }
141
142
143 double initDeltaT=dtMin;
144 if(dtMax>dtMin) initDeltaT=0.5*(dtMin+dtMax);
145 if(verbose>3) printf("initDeltaT := %g\n", initDeltaT);
146
147
148 if(verbose>2) printf("LLSQ fitting\n");
149 double bestDeltaT=initDeltaT;
150 double bestR2=nan("");
151 double deltaT=initDeltaT;
152 if(verbose>2) printf(" deltaT=%g\n", deltaT);
153 if(verbose>6) printf("filling data matrix\n");
154
155 for(
int m=0; m<lsq.
m; m++) lsq.
b[m]=y[m];
156
157 double p[3]={deltaT, 1.0, 0.0};
158 for(
int n=0, ret=0; n<lsq.
n && !ret; n++) {
159 p[2]=lk[n];
160 if(x2!=NULL)
162 else
163 ret=
mfEvalY(
"dmsurge", 3, p, lsq.
m, x, lsq.
a[n], 0);
164 }
165 if(ret) {
169 }
170
172
173 if(verbose>6) printf("applying NNLS\n");
175 ret=
nnlsq(&lsq, verbose-1);
176 if(ret>1) {
180 }
181 if(verbose>2) printf(
" -> r2=%g iterNr=%d\n", lsq.
rnorm, lsq.
iternr);
183
184 for(
int n=0; n<lsq.
n; n++) la[n]=lsq.
x[n];
185
186
187 deltaT=initDeltaT-dtStep;
188 while(dtStep>0.0 && deltaT>=dtMin) {
189 if(verbose>2) printf(" deltaT=%g\n", deltaT);
190 for(
int m=0; m<lsq.
m; m++) lsq.
b[m]=y[m];
191 p[0]=deltaT;
192 for(
int n=0, ret=0; n<lsq.
n && !ret; n++) {
193 p[2]=lk[n];
194 if(x2!=NULL)
196 else
197 ret=
mfEvalY(
"dmsurge", 3, p, lsq.
m, x, lsq.
a[n], 0);
198 }
199 if(ret) {
203 }
206 int ret=
nnlsq(&lsq, verbose-1);
207 if(ret>1) break;
208 if(verbose>2) printf(
" -> r2=%g iterNr=%d\n", lsq.
rnorm, lsq.
iternr);
209 if(lsq.
rnorm<bestR2) {
211 bestDeltaT=deltaT;
212 for(
int n=0; n<lsq.
n; n++) la[n]=lsq.
x[n];
213 }
214 deltaT-=dtStep;
215 }
216
217 deltaT=initDeltaT+dtStep;
218 while(dtStep>0.0 && deltaT<=dtMax) {
219 if(verbose>2) printf(" deltaT=%g\n", deltaT);
220 for(
int m=0; m<lsq.
m; m++) lsq.
b[m]=y[m];
221 p[0]=deltaT;
222
223
224 for(
int n=0, ret=0; n<lsq.
n && !ret; n++) {
225 p[2]=lk[n];
226 if(x2!=NULL)
228 else
229 ret=
mfEvalY(
"dmsurge", 3, p, lsq.
m, x, lsq.
a[n], 0);
230 }
231 if(ret) {
235 }
236
239 int ret=
nnlsq(&lsq, verbose-1);
240
241 if(ret>1) break;
242 if(verbose>2) printf(
" -> r2=%g iterNr=%d\n", lsq.
rnorm, lsq.
iternr);
243 if(lsq.
rnorm<bestR2) {
245 bestDeltaT=deltaT;
246 for(
int n=0; n<lsq.
n; n++) la[n]=lsq.
x[n];
247 }
248
249 deltaT+=dtStep;
250 }
251
252
253 if(yfit!=NULL) {
254 if(verbose>1) printf("computing yfit[]\n");
255 for(
int m=0; m<lsq.
m; m++) {
256 yfit[m]=0.0;
257 for(
int n=0; n<lsq.
n; n++)
258 if(la[n]>0.0)
259 yfit[m]+=la[n]*(x[m]+bestDeltaT)*exp(-lk[n]*(x[m]+bestDeltaT));
260 }
261 }
262
264
265
266 if(a!=NULL) for(int bi=0; bi<fNr; bi++) a[bi]=la[bi];
267 if(k!=NULL) for(int bi=0; bi<fNr; bi++) k[bi]=lk[bi];
268 free(localp);
269
270 if(dtEst!=NULL) *dtEst=bestDeltaT;
271
274}
int mfEvalY(const char *fid, const int parNr, const double *p, const int sampleNr, const double *x, double *y, const int verbose)
int mfEvalFrameY(const char *fid, const int parNr, const double *p, const int sampleNr, const double *x1, const double *x2, double *y, const int verbose)
int nnlsqDataWght(NNLSQDATA *d, double *weight)
void nnlsqDataFree(NNLSQDATA *d)
int nnlsqDataAllocate(NNLSQDATA *d, const int n, const int m)
void nnlsqDataInit(NNLSQDATA *d)
int nnlsq(NNLSQDATA *d, int verbose)
void statusSet(TPCSTATUS *s, const char *func, const char *srcfile, int srcline, tpcerror error)
int verbose
Verbose level, used by statusPrint() etc.
@ TPCERROR_INVALID_VALUE
Invalid value.
@ TPCERROR_NO_SOLUTION
No solution.
@ TPCERROR_OUT_OF_MEMORY
Cannot allocate memory.
@ TPCERROR_NO_DATA
File contains no data.
@ TPCERROR_TOO_FEW
File contains too few samples.