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simkloss.c File Reference

Simulation of compartment models with loss rate constant. More...

#include "tpcclibConfig.h"
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <time.h>
#include <string.h>
#include "tpccm.h"

Go to the source code of this file.

Functions

int simC3vpKLoss (double *t, double *ca, double *cb, const int nr, const double k1, const double k2, const double k3, const double k4, const double k5, const double k6, const double kLoss, const double f, const double vb, const double fa, const int vvm, double *cpet, double *cta, double *ctb, double *ctc, double *ctab, double *ctvb)
int simC2l (double *t, double *ca, const int nr, const double k1, const double k2, const double k3, const double kLoss, double *ct, double *cta, double *ctb)
int simC2vl (double *t, double *ca, double *cb, const int nr, const double k1, const double k2, const double k3, const double kL, const double f, const double vb, const double fa, const int vvm, double *cpet, double *cta, double *ctb, double *ctab, double *ctvb)

Detailed Description

Simulation of compartment models with loss rate constant.

Definition in file simkloss.c.

Function Documentation

◆ simC2l()

int simC2l ( double * t,
double * ca,
const int nr,
const double k1,
const double k2,
const double k3,
const double kLoss,
double * ct,
double * cta,
double * ctb )

Simulate tissue TAC using 2 tissue compartment model (in series) and plasma TAC, at plasma TAC times. In contrary to the common model, kLoss represents a direct loss rate from the 2nd tissue compartment to venous plasma.

Memory for ct must be allocated in the calling program. To retrieve the separate tissue compartment TACs, pointer to allocated memory for cta and ctb can be given; if compartmental TACs are not required, NULL pointer can be given instead.

The units of rate constants must be related to the time unit; 1/min and min, or 1/sec and sec.

See also
simC2, simC2vl, simC3vs, simC3vpKLoss
Returns
Function returns 0 when successful, else a value >= 1.
Author
Vesa Oikonen
Parameters
tArray of time values.
caArray of arterial activities.
nrNumber of values in TACs.
k1Rate constant of the model.
k2Rate constant of the model.
k3Rate constant of the model.
kLossRate constant of the model.
ctPointer for TAC array to be simulated; must be allocated.
ctaPointer for 1st compartment TAC to be simulated, or NULL.
ctbPointer for 2nd compartment TAC to be simulated, or NULL.

Definition at line 169 of file simkloss.c.

190 {
191 int i;
192 double b, c, dt2;
193 double cai, ca_last, t_last;
194 double ct1, ct1_last, ct2, ct2_last;
195 double ct1i, ct1i_last, ct2i, ct2i_last;
196
197
198 /* Check for data */
199 if(nr<2) return 1;
200 if(ct==NULL) return 2;
201
202 /* Check actual parameter number */
203 if(k1<0.0) return 3;
204
205 /* Calculate curves */
206 t_last=0.0; if(t[0]<t_last) t_last=t[0];
207 cai=ca_last=0.0;
208 ct1_last=ct2_last=ct1i_last=ct2i_last=ct1=ct2=ct1i=ct2i=0.0;
209 for(i=0; i<nr; i++) {
210 /* delta time / 2 */
211 dt2=0.5*(t[i]-t_last);
212 /* calculate values */
213 if(dt2<0.0) {
214 return 5;
215 } else if(dt2>0.0) {
216 /* arterial integral */
217 cai+=(ca[i]+ca_last)*dt2;
218 /* partial results */
219 b=ct1i_last+dt2*ct1_last;
220 c=ct2i_last+dt2*ct2_last;
221 /* 1st tissue compartment and its integral */
222 ct1 = (k1*cai - (k2+k3)*b) / (1.0 + (k2+k3)*dt2 );
223 ct1i = ct1i_last + dt2*(ct1_last+ct1);
224 /* 2nd tissue compartment and its integral */
225 ct2 = (k3*ct1i - kLoss*c) / (1.0 + kLoss*dt2);
226 ct2i = ct2i_last + dt2*(ct2_last+ct2);
227 }
228 /* copy values to argument arrays */
229 ct[i]=ct1+ct2;
230 if(cta!=NULL) cta[i]=ct1;
231 if(ctb!=NULL) ctb[i]=ct2;
232 /* prepare to the next loop */
233 t_last=t[i]; ca_last=ca[i];
234 ct1_last=ct1; ct1i_last=ct1i;
235 ct2_last=ct2; ct2i_last=ct2i;
236 }
237
238 return 0;
239}

◆ simC2vl()

int simC2vl ( double * t,
double * ca,
double * cb,
const int nr,
const double k1,
const double k2,
const double k3,
const double kL,
const double f,
const double vb,
const double fa,
const int vvm,
double * cpet,
double * cta,
double * ctb,
double * ctab,
double * ctvb )

Simulate tissue TAC using 2 tissue compartment model and plasma TAC, at plasma TAC times, considering also arterial and venous vasculature. The efflux from 2nd tissue compartment (at rate kL) goes directly to blood.

Memory for cpet must be allocated in the calling program. To retrieve the separate tissue compartment TACs, pointer to allocated memory for cta, ctb, ctab, and/or ctvb can be given; if compartmental TACs are not required, NULL pointer can be given instead.

The units of rate constants must be related to the time unit; 1/min and min, or 1/sec and sec. If blood flow is set to 0, function assumes that f>>k1, and Cvb=Cab.

See also
simC2, simC2l, simC3vs, simC3vpKLoss, simC3DIvs
Returns
Function returns 0 when successful, else a value >= 1.
Author
Vesa Oikonen
Parameters
tArray of time values.
caArray of arterial plasma activities.
cbArray of arterial blood activities.
nrNumber of values in TACs.
k1Rate constant of the model.
k2Rate constant of the model.
k3Rate constant of the model.
kLRate constant of the model.
fBlood flow; if 0, function assumes that f>>k1, and Cvb=Cab.
vbVascular volume fraction.
faArterial fraction of vascular volume.
vvmVascular volume modelling: set to 0 to use Cpet = Vb*Cb + (1-Vb)*Ct, or set to 1 to use Cpet = Vb*Cb + Ct.
cpetPointer for TAC array to be simulated; must be allocated.
ctaPointer for 1st compartment TAC to be simulated, or NULL.
ctbPointer for 2nd compartment TAC to be simulated, or NULL.
ctabPointer for arterial TAC in tissue, or NULL.
ctvbPointer for venous TAC in tissue, or NULL.

Definition at line 261 of file simkloss.c.

298 {
299 int i;
300 double dt2, b, c, va, vv;
301 double cai, ca_last, t_last, dct, cvb;
302 double ct1, ct1_last, ct2, ct2_last;
303 double ct1i, ct1i_last, ct2i, ct2i_last;
304
305
306 /* Check for data */
307 if(nr<2) return 1;
308 if(cpet==NULL) return 2;
309
310 /* Check parameters */
311 if(k1<0.0) return 3;
312 if(vb<0.0 || vb>=1.0) return 4;
313 if(fa<=0.0 || fa>1.0) return 5;
314 va=fa*vb; vv=(1.0-fa)*vb;
315
316 /* Calculate curves */
317 t_last=0.0; if(t[0]<t_last) t_last=t[0];
318 cai=ca_last=0.0;
319 ct1_last=ct2_last=ct1i_last=ct2i_last=ct1=ct2=ct1i=ct2i=0.0;
320 for(i=0; i<nr; i++) {
321 /* delta time / 2 */
322 dt2=0.5*(t[i]-t_last);
323 /* calculate values */
324 if(dt2<0.0) {
325 return 5;
326 } else if(dt2>0.0) {
327 /* arterial integral */
328 cai+=(ca[i]+ca_last)*dt2;
329 /* Calculate partial results */
330 b=ct1i_last+dt2*ct1_last;
331 c=ct2i_last+dt2*ct2_last;
332 /* 1st tissue compartment and its integral */
333 ct1 = (k1*cai - (k2+k3)*b) / (1.0 + (k2+k3)*dt2 );
334 ct1i = ct1i_last + dt2*(ct1_last+ct1);
335 /* 2nd tissue compartment and its integral */
336 ct2 = (k3*ct1i - kL*c) / (1.0 + kL*dt2);
337 ct2i = ct2i_last + dt2*(ct2_last+ct2);
338 }
339 /* Venous curve */
340 if(f>0.) {dct = k1*ca[i] - k2*ct1 - kL*ct2; cvb = cb[i] - dct/f;}
341 else cvb=cb[i];
342
343 /* copy values to argument arrays */
344 if(vvm==0) cpet[i]= va*cb[i] + vv*cvb + (1.0-vb)*(ct1+ct2);
345 else cpet[i]= va*cb[i] + vv*cvb + (ct1+ct2);
346 if(cta!=NULL) {cta[i]=ct1; if(vvm==0) cta[i]*=(1.0-vb);}
347 if(ctb!=NULL) {ctb[i]=ct2; if(vvm==0) ctb[i]*=(1.0-vb);}
348 if(ctab!=NULL) {ctab[i]=va*cb[i];}
349 if(ctvb!=NULL) {ctvb[i]=vv*cvb;}
350 /* prepare to the next loop */
351 t_last=t[i]; ca_last=ca[i];
352 ct1_last=ct1; ct1i_last=ct1i;
353 ct2_last=ct2; ct2i_last=ct2i;
354 }
355
356 return 0;
357}

◆ simC3vpKLoss()

int simC3vpKLoss ( double * t,
double * ca,
double * cb,
const int nr,
const double k1,
const double k2,
const double k3,
const double k4,
const double k5,
const double k6,
const double kLoss,
const double f,
const double vb,
const double fa,
const int vvm,
double * cpet,
double * cta,
double * ctb,
double * ctc,
double * ctab,
double * ctvb )

Simulate tissue TAC using 3 tissue compartmental model with two parallel compartments, and plasma TAC, at plasma TAC sample times, considering also arterial and venous vasculature. The efflux from 3rd tissue compartment (C) goes directly to blood at rate kLoss.

Memory for cpet must be allocated in the calling program. To retrieve the separate tissue compartment TACs, pointer to allocated memory for cta, ctb, ctab, and/or ctvb can be given; if compartmental TACs are not required, NULL pointer can be given instead.

The units of rate constants must be related to the time unit; 1/min and min, or 1/sec and sec.

If blood flow is set to 0, function assumes that f>>k1, and Cvb=Cab.,

See also
simC2vl, simC2l, simC3vs, simC4DIvp, parExamplePerfectBolus
Returns
Function returns 0 when successful, else a value >= 1.
Author
Vesa Oikonen
Parameters
tArray of sample times.
caArray of arterial plasma activities.
cbArray of arterial blood activities.
nrNumber of sample values in TACs.
k1Rate constant of the model.
k2Rate constant of the model.
k3Rate constant of the model.
k4Rate constant of the model.
k5Rate constant of the model.
k6Rate constant of the model.
kLossRate constant of the model.
fBlood flow; if 0, function assumes that f>>k1, and Cvb=Cab.
vbVascular volume fraction.
faArterial fraction of vascular volume.
vvmVascular volume modelling: set to 0 to use Cpet = Vb*Cb + (1-Vb)*Ct, or set to 1 to use Cpet = Vb*Cb + Ct.
cpetPointer for TAC array to be simulated; must be allocated.
ctaPointer for 1st tissue compartment TAC to be simulated, or NULL.
ctbPointer for 2nd compartment TAC to be simulated, or NULL.
ctcPointer for 3rd compartment TAC to be simulated, or NULL.
ctabPointer for arterial TAC in tissue, or NULL.
ctvbPointer for venous TAC in tissue, or NULL.

Definition at line 36 of file simkloss.c.

81 {
82 int i;
83 double dt2, b, c, d, w, z, u, va, vv;
84 double cai, ca_last, t_last, dct, cvb;
85 double ct1, ct1_last, ct2, ct2_last, ct3, ct3_last;
86 double ct1i, ct1i_last, ct2i, ct2i_last, ct3i, ct3i_last;
87
88
89 /* Check for data */
90 if(nr<2) return 1;
91 if(cpet==NULL) return 2;
92
93 /* Check parameters */
94 if(k1<0.0) return 3;
95 if(vb<0.0 || vb>=1.0) return 4;
96 if(fa<=0.0 || fa>1.0) return 5;
97 va=fa*vb; vv=(1.0-fa)*vb;
98
99 /* Calculate curves */
100 t_last=0.0; if(t[0]<t_last) t_last=t[0];
101 cai=ca_last=0.0;
102 ct1_last=ct2_last=ct3_last=ct1i_last=ct2i_last=ct3i_last=0.0;
103 ct1=ct2=ct3=ct1i=ct2i=ct3i=0.0;
104 for(i=0; i<nr; i++) {
105 /* delta time / 2 */
106 dt2=0.5*(t[i]-t_last);
107 /* calculate values */
108 if(dt2<0.0) {
109 return 5;
110 } else if(dt2>0.0) {
111 /* arterial integral */
112 cai+=(ca[i]+ca_last)*dt2;
113 /* Calculate partial results */
114 w = 1.0 + k4*dt2;
115 z = 1.0 + dt2*(k6 + kLoss);
116 u = k2 + k3 + k5 - k3*k4*dt2/w - k5*k6*dt2/z;
117 b = ct1i_last+dt2*ct1_last;
118 c = ct2i_last+dt2*ct2_last;
119 d = ct3i_last+dt2*ct3_last;
120 /* 1st tissue compartment and its integral */
121 ct1 = ( k1*cai - u*b + k4*c/w + k6*d/z ) / ( 1.0 + dt2*u);
122 ct1i = ct1i_last + dt2*(ct1_last+ct1);
123 /* 2nd tissue compartment and its integral */
124 ct2 = (k3*ct1i - k4*c) / w;
125 ct2i = ct2i_last + dt2*(ct2_last+ct2);
126 /* 3rd tissue compartment and its integral */
127 ct3 = (k5*ct1i - (k6 + kLoss)*d) / z;
128 ct3i = ct3i_last + dt2*(ct3_last+ct3);
129 }
130 /* Venous curve */
131 if(f>0.) {dct = k1*ca[i] - k2*ct1 - kLoss*ct3; cvb = cb[i] - dct/f;}
132 else cvb=cb[i];
133 /* copy values to argument arrays */
134 if(vvm==0) cpet[i]= va*cb[i] + vv*cvb + (1.0-vb)*(ct1+ct2+ct3);
135 else cpet[i]= va*cb[i] + vv*cvb + (ct1+ct2+ct3);
136 if(cta!=NULL) {cta[i]=ct1; if(vvm==0) cta[i]*=(1.0-vb);}
137 if(ctb!=NULL) {ctb[i]=ct2; if(vvm==0) ctb[i]*=(1.0-vb);}
138 if(ctc!=NULL) {ctc[i]=ct3; if(vvm==0) ctc[i]*=(1.0-vb);}
139 if(ctab!=NULL) {ctab[i]=va*cb[i];}
140 if(ctvb!=NULL) {ctvb[i]=vv*cvb;}
141 /* prepare to the next loop */
142 t_last=t[i]; ca_last=ca[i];
143 ct1_last=ct1; ct1i_last=ct1i;
144 ct2_last=ct2; ct2i_last=ct2i;
145 ct3_last=ct3; ct3i_last=ct3i;
146 }
147
148 return 0;
149}
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