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MPCurveFit.c
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/*
Copyright (c) 2012, Marcel Reich & Sven Kaiser & Markus Daab & Patrick Schülein & Engin Aslan
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
- Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
- Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
- Neither the name of the Universitätsmedizin Mannheim nor the names of its
contributors may be used to endorse or promote products derived from this
software without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
POSSIBILITY OF SUCH DAMAGE.
*/
#include "mpcurvefit.h"
struct fit_struct {
float *tissue;
double *time;
float *aif;
float *vif;
double *fit;
};
void expConvolute(int m, double k, double *time, float *aif, double *y, double *der)
{
int i;
double *deltaT = calloc(m-1, sizeof(double));
double *deltaA = calloc(m-1, sizeof(double));
double *z = calloc(m-1, sizeof(double));
double *e = calloc(m-1, sizeof(double));
double *e0 = calloc(m-1, sizeof(double));
double *e1 = calloc(m-1, sizeof(double));
double *il = calloc(m-1, sizeof(double));
double *e2 = calloc(m-1, sizeof(double));
double *dil = calloc(m-1, sizeof(double));
/*
DT = T[1:n-1]-T[0:n-2]
DA = A[1:n-1]-A[0:n-2]
*/
for (i = 0; i < m-1; i++) {
deltaT[i] = time[i+1] - time[i];
deltaA[i] = aif[i+1] - aif[i];
}
/*
Z = l*DT
E = exp(-Z)
E0 = 1-E
E1 = Z-E0
*/
for (i = 0; i < m-1; i++) {
z[i] = k * deltaT[i];
e[i] = exp(z[i]*(-1));
e0[i] = 1 - e[i];
e1[i] = z[i] - e0[i];
}
/*
Il = (A[0:n-2]*E0 + DA*E1/Z)/l
*/
for (i = 0; i < m-1; i++)
il[i] = ( (aif[i] * e0[i]) + (deltaA[i] * e1[i])/z[i] )/k;
/*
Y = dblarr(n)
*/
for (i = 0; i < m; i++)
y[i] = 0;
/*
for i=0L,n-2 do Y[i+1] = E[i]*Y[i] + Il[i]
*/
for (i = 0; i < m-1; i++)
y[i+1] = e[i]*y[i] + il[i];
/*
E2 = Z^2-2*E1
*/
for (i = 0; i < m-1; i++)
e2[i] = pow(z[i], 2) - 2*e1[i];
/*
DIl = -DT*Il + (A[0:n-2]*E1 + DA*E2/Z )/(l^2)
DIl = -E*DT*Y + DIl
*/
for (i = 0; i < m-1; i++)
dil[i] = deltaT[i]*(-1)*il[i] + ( aif[i]*e1[i] + deltaA[i]*e2[i]/z[i]) / pow(k, 2);
for (i = 0; i < m-1; i++)
dil[i] = e[i]*(-1)*deltaT[i]*y[i] + dil[i];
if (der != NULL) {
/*
DY = dblarr(n)
*/
for (i = 0; i < m; i++)
der[i] = 0;
/*
for i=0L,n-2 do DY[i+1] = E[i]*DY[i] + DIl[i]
*/
for (i = 0; i < m-1; i++)
der[i+1] = e[i]*der[i] + dil[i];
}
free(deltaT);
free(deltaA);
free(z);
free(e);
free(e0);
free(e1);
free(il);
free(e2);
free(dil);
}
//convolutes 2 vectors of the same length and saves the result in the convolutedVector vector of the same length
void convolute(double *vector1, double *vector2, double *time, unsigned length, double *convolutedVector)
{
int i,j, jmin, jmax;
double *deltaT = calloc(length,sizeof(double));
double *result = calloc(2*length-1,sizeof(double));
for(i=0;i<length-1;i++){
deltaT[i] = time[i+1] - time[i];
}
deltaT[length-1] = deltaT[length-2];
for(i=0;i<(2*length - 1);i++){
j = 0;
jmin = 0;
jmax = 0;
if(i >= (length - 1)){
jmin = i - (length - 1);
}
else{
jmin = 0;
}
if(i < (length - 1)){
jmax = i;
}
else{
jmax = length - 1;
}
for(j = jmin; j <= jmax;j++){
result[i] += vector1[j] * vector2[i-j];
}
result[i] *= deltaT[i];
}
for(i=0;i<length;i++){
convolutedVector[i] = result[i];
}
free(deltaT);
free(result);
}
double getLinearInterpolatedAIFValueForTimepoint(float *aif, double *time, int length, double timepoint){
double interpolatedValue = 0.0;
double slope = 0.0;
int i = 0;
//if timepoint is negative
if(timepoint < 0){
slope =(aif[1] - aif[0]) / (time[1] - time[0]);
interpolatedValue = aif[0] + (slope * timepoint);
}
//if timepoint is zero
if(timepoint <= 0.0005 && timepoint >= -0.0005){
interpolatedValue = aif[0];
}
//if timepoint is positive
if(timepoint > 0.0){
//if timepoint is out of the timearray
if(timepoint > time[length-1]){
slope =(aif[length-1] - aif[length-2]) / (time[length-1] - time[length-2]);
interpolatedValue = aif[length-1] + (slope * (timepoint - time[length-1]));
}
//if timepoint is inside the time of the timearray
else{
//get the position of timepoint inside the time array
while(time[i]<timepoint){
i++;
}
//test if timepoint is identical with time in timearray
if((time[i] <= (timepoint + 0.0005)) && (time[i] >= (timepoint - 0.0005))){
interpolatedValue = aif[i];
}
//interpolate value for timepoint
else{
slope = (aif[i] - aif[i-1]) / (time[i] - time[i-1]);
interpolatedValue = aif[i-1] + (slope * (timepoint - time[i-1]));
}
}
}
return interpolatedValue;
}
int singleInletCompartement(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double k;
struct fit_struct *v = (struct fit_struct *) vars;
double *y = calloc(m, sizeof(double));
double *time = v->time;
float *aif = v->aif;
float *tissue = v->tissue;
double *fit = v->fit;
// K = P[1]/P[0] ; F/V
k = p[1]/p[0];
// Conv = ExpConvolution(K,[time,input],Der=dConv)
expConvolute(m, k, time, aif, y, NULL);
// C = P[1]*Conv[ti]
for (i = 0; i < m; i++) {
dy[i] = p[1]*y[i];
fit[i] = dy[i];
dy[i] = (tissue[i] - dy[i])*1.0;
}
free(y);
return 0;
}
int singleInletExchange(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double a, b, am, km, kp, ta, tm, tp, ts;
struct fit_struct *v = (struct fit_struct *) vars;
double *time = v->time;
float *aif = v->aif;
float *tissue = v->tissue;
double *fit = v->fit;
double *cp = calloc(m, sizeof(double));
double *cm = calloc(m, sizeof(double));
a = p[2]-p[2]*p[3]+p[3];
b = p[2]*(1-p[2])*p[3]*(1-p[3]);
ts = sqrt(1-4*b/pow(a, 2));
ta = 0.5*a/p[3];
tp = ta*(1+ts);
tm = ta*(1-ts);
kp = p[1]/(p[0]*tm);
km = p[1]/(p[0]*tp);
am = (1-tm)/(tp-tm);
expConvolute(m, kp, time, aif, cp, NULL);
expConvolute(m, km, time, aif, cm, NULL);
for (i=0; i<m; i++) {
dy[i] = p[1]*(1-am)*cp[i] + p[1]*am*cm[i];
fit[i] = dy[i];
dy[i] = (tissue[i] - dy[i])*1.0;
}
free(cp);
free(cm);
return 0;
}
//Since Version 1.5
/* Filtration Model by S. Sourbron ()
C(t) = FP (1-A) exp(-tKP) * Ca(T) + FP A exp(-tKE)*Ca(t)
Parameters:
P = [V, FP, v, E]
V = VP+VE (Total Extracellular Volume)
FP (Plasma Flow)
v = VE/(VP+VE) (Extravascular Volume Fraction)
E = FE /FP (Extraction Fraction)
Fit Parameters:
FP, A, KP, KE
KP = FP/VP = FP/(V (1-v))
KE = FE/VE = E FP / (V v)
A = 1/(1+(1/E - 1/v) */
int singleInletFiltration(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double am, ke, kp;
struct fit_struct *v = (struct fit_struct *) vars;
double *time = v->time;
float *aif = v->aif;
float *tissue = v->tissue;
double *fit = v->fit;
double *cp = calloc(m, sizeof(double));
double *cm = calloc(m, sizeof(double));
// Fit parameters
kp = p[1]/(p[0]*(1-p[2]));
ke = p[3]*p[1]/(p[0]*p[2]);
am = 1/(1+1/p[3]-1/p[2]);
expConvolute(m, kp, time, aif, cp, NULL);
expConvolute(m, ke, time, aif, cm, NULL);
for (i=0; i<m; i++) {
dy[i] = p[1]*(1-am)*cp[i] + p[1]*am*cm[i];
fit[i] = dy[i];
dy[i] = (tissue[i] - dy[i])*1.0;
}
free(cp);
free(cm);
return 0;
}
int singleInletUptake(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double k;
struct fit_struct *v = (struct fit_struct *) vars;
double *time = v->time;
float *aif = v->aif;
float *tissue = v->tissue;
double *fit = v->fit;
double *cp = calloc(m, sizeof(double));
double *integral = calloc(m, sizeof(double));
k = p[1]/(p[0]*(1-p[2]));
expConvolute(m, k, time, aif, cp, NULL);
intVector(m, time, aif, integral);
for (i = 0; i < m; i++) {
dy[i] = (1-p[2])*p[1]*cp[i]+p[2]*p[1]*integral[i];
fit[i] = dy[i];
dy[i] = (tissue[i] - dy[i])*1.0;
}
free(cp);
free(integral);
return 0;
}
int doubleInletUptake(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double ve, af, vf, ki, ta, tv, fi, te;
struct fit_struct *v = (struct fit_struct *) vars;
double *time = v->time;
float *aif = v->aif;
float *vif = v->vif;
float *tissue = v->tissue;
double *fit = v->fit;
double *aif_vif = calloc(m, sizeof(double));
double *e_func = calloc(m, sizeof(double));
double *part1 = calloc(m, sizeof(double));
double *part2 = calloc(m, sizeof(double));
double *result = calloc(m, sizeof(double));
//Arrays mit 0.0 initialisieren
for(i=0;i<m;i++) {
aif_vif[i] = 0.0;
e_func[i] = 0.0;
part1[i] = 0.0;
part2[i] = 0.0;
fit[i] = 0.0;
dy[i] = 0.0;
}
af = p[1];
vf = p[2];
ve = p[0];
ki = p[3];
ta = p[4];
tv = p[5];
fi = p[3]/(p[1]+p[2]+p[3]);
te = p[0]/(p[1]+p[2]+p[3]);
/*
printf("\naf = %f\n",af);
printf("vf = %f\n",vf);
printf("ve = %f\n",ve);
printf("ki = %f\n",ki);
*/
for(i=0;i<m;i++){
//aif_vif[i] = af*aif[i]+vf*vif[i];
aif_vif[i] = af * getLinearInterpolatedAIFValueForTimepoint(aif, time, m, time[i] - ta) + vf * getLinearInterpolatedAIFValueForTimepoint(vif, time, m, time[i] - tv);
e_func[i] = exp((double)(-time[i])/te)/te;
part1[i] = fi/te;
/*
printf("\naif_vif[%d] = %f;",i,aif_vif[i]);
printf("\ne_func[%d] = %f;",i,e_func[i]);
printf("\npart1[%d] = %f;",i,part1[i]);
printf("\ntime[%d] = %f;",i,time[i]);
*/
}
convolute(aif_vif, e_func, time, m, part2);
convolute(part2, part1, time, m, result);
for(i=0;i<m;i++){
result[i] += part2[i];
result[i] *= te;
}
for (i=0; i<m; i++) {
fit[i] = result[i];
dy[i] = (double)tissue[i] - fit[i];
/*
printf("\nfit(%d) = %f;",i,fit[i]);
printf("\naif(%d) = %f;",i,aif[i]);
printf("\nvif(%d) = %f;",i,vif[i]);
*/
}
free(aif_vif);
free(e_func);
free(part1);
free(part2);
free(result);
return 0;
}
int singleInletModifiedTofts(int m, int n, double *p, double *dy, double **dvec, void *vars)
{
int i;
double k;
struct fit_struct *v = (struct fit_struct *) vars;
double *time = v->time;
float *aif = v->aif;
float *tissue = v->tissue;
double *fit = v->fit;
double *cp = calloc(m, sizeof(double));
k = p[2]/(p[0]*p[1]);
expConvolute(m, k, time, aif, cp, NULL);
for (i=0; i<m; i++) {
dy[i] = p[0]*(1-p[1])*aif[i] + p[2]*cp[i];
fit[i] = dy[i];
dy[i] = (tissue[i] - dy[i])*1.0;
}
free(cp);
return 0;
}
//int fitSingleInletCompartment(int m, double *time, float *aif, float *tissue, double *curveFit, double *pf, double *vd, double *mt, double *akaikeError, double *chiSquare)
//{
// int i;
// double p[] = {0.1, 0.002}; /* Initial conditions */
// double perror[2]; /* Returned parameter errors */
// mp_par pars[2]; /* Parameter constraints */
// int n_elements_pars = 2;
// struct fit_struct v;
// int status;
// mp_result result;
//
// memset(&result,0,sizeof(result)); /* Zero results structure */
// result.xerror = perror;
//
// memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
// pars[0].fixed = 0; /* Fix parameters */
// pars[1].fixed = 0;
//
// pars[0].limited[0] = 1;
// pars[0].limited[1] = 1;
// pars[0].limits[0] = 0.0;
// pars[0].limits[1] = 1.0;
//
// pars[1].limited[0] = 1;
// pars[1].limited[1] = 1;
// pars[1].limits[0] = 0.0;
// pars[1].limits[1] = 1.0;
//
// v.tissue = tissue;
// v.time = time;
// v.aif = aif;
// v.fit = curveFit;
//
// status = mpfit(singleInletCompartement, m, n_elements_pars, p, pars, 0, (void *) &v, &result);
//
// *pf = p[1] * 6000.0;
// *vd = 100.0 * p[0];
// *mt = p[0]/p[1];
//
// // calc akaike Error
// double sum = 0.0;
// for (i=0; i<m; i++)
// sum = sum + pow(tissue[i]-curveFit[i], 2);
//
// *akaikeError = m * log(sum/m) + 2.0*(1+n_elements_pars);
//
// if (chiSquare)
// *chiSquare = result.bestnorm;
//
// return 0;
//}
int fitSingleInletCompartment(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *tissue, double *curveFit, double *pf, double *vd, double *mt, double *akaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.3, 0.02}; /* Initial conditions */
double perror[2]; /* Returned parameter errors */
mp_par pars[2]; /* Parameter constraints */
int n_elements_pars = 2;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
// pars[0].fixed = 0; /* Fix parameters */
// pars[1].fixed = 0;
pars[0].fixed = fixed[0]; /* Parameter from preferences window */
pars[1].fixed = fixed[1];
// pars[0].limited[0] = 1;
// pars[0].limited[1] = 1;
// pars[0].limits[0] = 0.0;
// pars[0].limits[1] = 1.0;
pars[0].limited[0] = limited[0];
pars[0].limited[1] = limited[1];
pars[0].limits[0] = limits[0];
pars[0].limits[1] = limits[1];
// pars[1].limited[0] = 1;
// pars[1].limited[1] = 1;
// pars[1].limits[0] = 0.0;
// pars[1].limits[1] = 1.0;
pars[1].limited[0] = limited[2];
pars[1].limited[1] = limited[3];
pars[1].limits[0] = limits[2];
pars[1].limits[1] = limits[3];
v.tissue = tissue;
v.time = time;
v.aif = aif;
v.fit = curveFit;
configMethod(&config);
config.maxiter = maxiterations;
config.maxfev = maxFunctionEvaluation;
mpfit(singleInletCompartement, m, n_elements_pars, p, pars, &config, (void *) &v, &result);
*pf = p[1] * 6000.0;
*vd = 100.0 * p[0];
*mt = p[0]/p[1];
if (calculateFitErrors(m, tissue, curveFit, akaikeError, chiSquare, xError, n_elements_pars, &result))
{
return 0;
}
//else hinzugefügt
else {
return -1;
}
}
int fitSingleInletExchange(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *tissue, double *curveFit, double *pf, double *pv, double *mt, double *imt, double *iv, double *ef, double *per, double *akaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.3, 0.02, 2.0/3, 0.1}; /* Initial conditions */
double perror[4]; /* Returned parameter errors */
mp_par pars[4]; /* Parameter constraints */
int n_elements_pars = 4;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
//pars[0].fixed = 0; /* Fix parameters */
//pars[1].fixed = 0;
//pars[2].fixed = 0;
//pars[3].fixed = 0;
pars[0].fixed = fixed[0]; /* Parameter from preferences window */
pars[1].fixed = fixed[1];
pars[2].fixed = fixed[2];
pars[3].fixed = fixed[3];
//pars[0].limited[0] = 0;
//pars[0].limited[1] = 1;
//pars[0].limits[0] = 0.0;
//pars[0].limits[1] = 1.0;
pars[0].limited[0] = limited[0];
pars[0].limited[1] = limited[1];
pars[0].limits[0] = limits[0];
pars[0].limits[1] = limits[1];
//pars[1].limited[0] = 0;
//pars[1].limited[1] = 0;
//pars[1].limits[0] = 0.0;
//pars[1].limits[1] = 1.0;
pars[1].limited[0] = limited[2];
pars[1].limited[1] = limited[3];
pars[1].limits[0] = limits[2];
pars[1].limits[1] = limits[3];
//pars[2].limited[0] = 0;
//pars[2].limited[1] = 1;
//pars[2].limits[0] = 0.0;
//pars[2].limits[1] = 1.0;
pars[2].limited[0] = limited[4];
pars[2].limited[1] = limited[5];
pars[2].limits[0] = limits[4];
pars[2].limits[1] = limits[5];
//pars[3].limited[0] = 0;
//pars[3].limited[1] = 1;
//pars[3].limits[0] = 0.0;
//pars[3].limits[1] = 1.0;
pars[3].limited[0] = limited[6];
pars[3].limited[1] = limited[7];
pars[3].limits[0] = limits[6];
pars[3].limits[1] = limits[7];
v.tissue = tissue;
v.time = time;
v.aif = aif;
v.fit = curveFit;
configMethod(&config);
config.maxiter = maxiterations;
config.maxfev = maxFunctionEvaluation;
mpfit(singleInletExchange, m, n_elements_pars, p, pars, &config, (void *) &v, &result);
*pf = p[1] * 6000.0;
*mt = p[0]*(1-p[2])*(1-p[3])/p[1];
*pv = 100*p[0]*(1-p[2]);
*imt = (1-p[3])*p[0]*p[2]/(p[1]*p[3]);
*iv = 100*p[0]*p[2];
*ef = 100*p[3];
*per = 6000*p[1]*p[3]/(1-p[3]);
if (calculateFitErrors(m, tissue, curveFit, akaikeError, chiSquare, xError, n_elements_pars, &result))
{
return 0;
}
else {
return -1;
}
}
int fitSingleInletFiltration(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *tissue, double *curveFit, double *pf, double *pv, double *mt, double *imt, double *iv, double *ef, double *per, double *correctedAkaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.3, 120.0/6000, 2.0/3, 0.09}; /* Initial conditions */
double perror[4]; /* Returned parameter errors */
mp_par pars[4]; /* Parameter constraints */
int n_elements_pars = 4;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
//pars[0].fixed = 0; /* Fix parameters */
//pars[1].fixed = 0;
//pars[2].fixed = 0;
//pars[3].fixed = 0;
pars[0].fixed = fixed[0]; /* Parameter from preferences window */
pars[1].fixed = fixed[1];
pars[2].fixed = fixed[2];
pars[3].fixed = fixed[3];
//pars[0].limited[0] = 0;
//pars[0].limited[1] = 1;
//pars[0].limits[0] = 0.0;
//pars[0].limits[1] = 1.0;
pars[0].limited[0] = limited[0];
pars[0].limited[1] = limited[1];
pars[0].limits[0] = limits[0];
pars[0].limits[1] = limits[1];
//pars[1].limited[0] = 0;
//pars[1].limited[1] = 0;
//pars[1].limits[0] = 0.0;
//pars[1].limits[1] = 1.0;
pars[1].limited[0] = limited[2];
pars[1].limited[1] = limited[3];
pars[1].limits[0] = limits[2];
pars[1].limits[1] = limits[3];
//pars[2].limited[0] = 0;
//pars[2].limited[1] = 1;
//pars[2].limits[0] = 0.0;
//pars[2].limits[1] = 1.0;
pars[2].limited[0] = limited[4];
pars[2].limited[1] = limited[5];
pars[2].limits[0] = limits[4];
pars[2].limits[1] = limits[5];
//pars[3].limited[0] = 0;
//pars[3].limited[1] = 1;
//pars[3].limits[0] = 0.0;
//pars[3].limits[1] = 1.0;
pars[3].limited[0] = limited[6];
pars[3].limited[1] = limited[7];
pars[3].limits[0] = limits[6];
pars[3].limits[1] = limits[7];
v.tissue = tissue;
v.time = time;
v.aif = aif;
v.fit = curveFit;
configMethod(&config);
config.maxiter = maxiterations;
config.maxfev = maxFunctionEvaluation;
mpfit(singleInletFiltration, m, n_elements_pars, p, pars, &config, (void *) &v, &result);
// hier gibt es kein *iv in diesem Modell, wie wird das gehandhabt?
*pf = p[1]*6000.0; // plasma flow [ml/100ml/min]
*mt = 1.0*p[0]*(1-p[2])/p[1]; // plasma mtt [sec]
*pv = 100.0*p[0]*(1-p[2]); // plasma volume [ml/100ml]
*imt =1.0*p[0]*p[2]/(p[1]*p[3]);// tubular mtt [sec]
*ef = 100.0*p[3]; // extraction fraction [%]
*per = 6000*p[1]*p[3]; // tubular flow [ml/100ml/min]
if (calculateFitErrors(m, tissue, curveFit, correctedAkaikeError, chiSquare, xError, n_elements_pars, &result))
{
return 0;
}
else {
return -1;
}
}
int fitSingleInletUptake(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *tissue, double *curveFit, double *pf, double *pv, double *mt, double *ef, double *per, double *correctedAkaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.1, 120.0/6000.0, 12.0/132.0}; /* Initial conditions */
double perror[3]; /* Returned parameter errors */
mp_par pars[3]; /* Parameter constraints */
int n_elements_pars = 3;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
//pars[0].fixed = 0; /* Fix parameters */
//pars[1].fixed = 0;
//pars[2].fixed = 0;
pars[0].fixed = fixed[0]; /* Fix parameters */
pars[1].fixed = fixed[1];
pars[2].fixed = fixed[2];
//pars[0].limited[0] = 0;
//pars[0].limited[1] = 1;
//pars[0].limits[0] = 0.0;
//pars[0].limits[1] = 1.0;
pars[0].limited[0] = limited[0];
pars[0].limited[1] = limited[1];
pars[0].limits[0] = limits[0];
pars[0].limits[1] = limits[1];
//pars[1].limited[0] = 0;
//pars[1].limited[1] = 0;
//pars[1].limits[0] = 0.0;
//pars[1].limits[1] = 1.0;
pars[1].limited[0] = limited[2];
pars[1].limited[1] = limited[3];
pars[1].limits[0] = limits[2];
pars[1].limits[1] = limits[3];
//pars[2].limited[0] = 0;
//pars[2].limited[1] = 1;
//pars[2].limits[0] = 0.0;
//pars[2].limits[1] = 1.0;
pars[2].limited[0] = limited[4];
pars[2].limited[1] = limited[5];
pars[2].limits[0] = limits[4];
pars[2].limits[1] = limits[5];
v.tissue = tissue;
v.time = time;
v.aif = aif;
v.fit = curveFit;
configMethod(&config);
config.maxiter = maxiterations;
config.maxfev = maxFunctionEvaluation;
mpfit(singleInletUptake, m, n_elements_pars, p, pars, &config, (void *) &v, &result);
*pf = 6000.0*p[1];
*mt = 1.0*p[0]*(1-p[2])/p[1];
*pv = 100.0*p[0];
*ef = 100.0*p[2];
*per = 6000.0*p[1]*p[2]/(1-p[2]);
if (calculateFitErrors(m, tissue, curveFit, correctedAkaikeError, chiSquare, xError, n_elements_pars, &result))
{
return 0;
}
else {
return -1;
}
}
int fitDoubleInletUptake(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *vif, float *tissue, double *curveFit, double *af, double *vf, double *ve, double *ki, double *aDelayTime, double *vDelayTime,double *fi, double *fa, double *te, double *correctedAkaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.3, 0.02, 2.0/3, 0.1}; /* Initial conditions */
double perror[6]; /* Returned parameter errors */
mp_par pars[6]; /* Parameter constraints */
int n_elements_pars = 6;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
pars[0].fixed = fixed[0]; /* Parameter from preferences window */
pars[1].fixed = fixed[1];
pars[2].fixed = fixed[2];
pars[3].fixed = fixed[3];
pars[4].fixed = fixed[4];
pars[5].fixed = fixed[5];
pars[0].limited[0] = limited[0];
pars[0].limited[1] = limited[1];
pars[0].limits[0] = limits[0];
pars[0].limits[1] = limits[1];
pars[1].limited[0] = limited[2];
pars[1].limited[1] = limited[3];
pars[1].limits[0] = limits[2];
pars[1].limits[1] = limits[3];
pars[2].limited[0] = limited[4];
pars[2].limited[1] = limited[5];
pars[2].limits[0] = limits[4];
pars[2].limits[1] = limits[5];
pars[3].limited[0] = limited[6];
pars[3].limited[1] = limited[7];
pars[3].limits[0] = limits[6];
pars[3].limits[1] = limits[7];
pars[4].limited[0] = limited[8];
pars[4].limited[1] = limited[9];
pars[4].limits[0] = limits[8];
pars[4].limits[1] = limits[9];
pars[5].limited[0] = limited[10];
pars[5].limited[1] = limited[11];
pars[5].limits[0] = limits[10];
pars[5].limits[1] = limits[11];
v.tissue = tissue;
v.time = time;
v.aif = aif;
v.vif = vif;
v.fit = curveFit;
configMethod(&config);
config.maxiter = maxiterations;
config.maxfev = maxFunctionEvaluation;
mpfit(doubleInletUptake, m, n_elements_pars, p, pars, &config, (void *) &v, &result);
*af = p[1] * 6000.0;
*vf = p[2] * 6000.0;
*ve = p[0] * 100.0;
*ki = p[3];
*aDelayTime = p[4];
*vDelayTime = p[5];
*fi = p[3]/(p[1]+p[2]+p[3]) * 100.0;
*fa = p[1]/(p[1]+p[2]) * 100.0;
*te = p[0]/(p[1]+p[2]+p[3]);
if (calculateFitErrors(m, tissue, curveFit, correctedAkaikeError, chiSquare, xError, n_elements_pars, &result))
{
return 0;
}
else {
return -1;
}
}
int fitSingleInletModifiedTofts(int m, double *p, int *fixed, int *limited, double *limits, int maxiterations, int maxFunctionEvaluation, double *time, float *aif, float *tissue, double *curveFit, double *pv, double *imt, double *iv, double *per, double *akaikeError, double *chiSquare, double *xError)
{
//double p[] = {0.3, 2.0/3, 12.0/6000}; /* Initial conditions */
double perror[3]; /* Returned parameter errors */
mp_par pars[3]; /* Parameter constraints */
int n_elements_pars = 3;
struct fit_struct v;
//int status;
mp_result result;
mp_config config;
memset(&result,0,sizeof(result)); /* Zero results structure */
result.xerror = perror;
memset(pars,0,sizeof(pars)); /* Initialize constraint structure */
//pars[0].fixed = 0; /* Fix parameters */
//pars[1].fixed = 0;
//pars[2].fixed = 0;
pars[0].fixed = fixed[0];
pars[1].fixed = fixed[1];
pars[2].fixed = fixed[2];
//pars[0].limited[0] = 0;
//pars[0].limited[1] = 1;