tpccm.h

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#ifndef _TPCCM_H_
#define _TPCCM_H_
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#include "tpcclibConfig.h"
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#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
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/*****************************************************************************/
/* sim1cm */
/*****************************************************************************/
int simMBF(
  double *t, double *ci, const int nr, 
  const double k1, const double k2, const double Vfit, double *ct
);
int simC1(
  double *t, double *ca, const int nr, 
  const double k1, const double k2, double *ct
);
int simC1_i(
  double *t, double *cai, const int nr, 
  const double k1, const double k2, double *ct
);
int simC1_d(
  double *t, double *ca, const int nr, 
  const double k1, const double k2, double *ct
);
/*****************************************************************************/
/* sim2cm */
/*****************************************************************************/
int simC2(
  double *t, double *ca, const int nr, 
  const double k1, const double k2, const double k3, const double k4,
  double *ct, double *cta, double *ctb
);
int simC2_i(
  double *t, double *cai, const int nr, 
  const double k1, const double k2, const double k3, const double k4,
  double *ct, double *cta, double *ctb
);
/*****************************************************************************/
/* sim3cms */
/*****************************************************************************/
int simC3s(
  double *t, double *ca, const int nr, double k1, double k2,
  double k3, double k4, double k5, double k6,
  double *ct, double *cta, double *ctb, double *ctc
);
int simC3vs(
  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 f, const double vb, const double fa, const int vvm,
  double *cpet, double *cta, double *ctb, double *ctc,
  double *ctab, double *ctvb
);
/*****************************************************************************/
/* sim3cmp */
/*****************************************************************************/
int simC3p(
  double *t, double *ca, const int nr, const double k1, const double k2,
  const double k3, const double k4, const double k5, const double k6,
  double *ct, double *cta, double *ctb, double *ctc
);
int simC3vp(
  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 f, const double vb, const double fa, const int vvm,
  double *cpet, double *cta, double *ctb, double *ctc,
  double *ctab, double *ctvb
);
/*****************************************************************************/
/* simkloss */
/*****************************************************************************/
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
);
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
);
/*****************************************************************************/
/* simrtcm */
/*****************************************************************************/
int simRTCM(
  double *t, double *cr, const int nr, const double R1, const double k2,
  const double k3, const double k4, double *ct, double *cta, double *ctb
);
int simSRTM(
  double *t, double *cr, const int nr, const double R1, const double k2,
  const double BP, double *ct
);
int simTRTM(
  double *t, double *cr, const int nr, const double R1, const double k2,
  double k3, double *ct
);
/*****************************************************************************/
/* simdicm */
/*****************************************************************************/
int simC1DI(
  double *t, double *cba, double *cbb, const int nr,
  const double k1a, const double k1b, const double k2, double *ct
);
int simC3DIvs(
  double *t, double *ca1, double *ca2, 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 k1b, const double k2b, 
  const double f, const double vb, const double fa, const int vvm,
  double *scpet, double *sct1, double *sct2, double *sct3, double *sct1b,
  double *sctab, double *sctvb
);
int simC4DIvp(
  double *t, double *ca1, double *ca2, 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 k7, const double km, 
  const double k1b, const double k2b, 
  const double f, const double vb, const double fa, const int vvm,
  double *scpet, double *sct1, double *sct2, double *sct3,
  double *sct1b, double *sctab, double *sctvb,
  const int verbose
);
int simC4DIvs(
  double *t, double *ca1, double *ca2, 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 k7, const double km, 
  const double k1b, const double k2b, 
  const double f, const double vb, const double fa, const int vvm,
  double *scpet, double *sct1, double *sct2, double *sct3,
  double *sct1b, double *sctab, double *sctvb,
  const int verbose
);
/*****************************************************************************/
/* simdispersion */
/*****************************************************************************/
int simDispersion(
  double *x, double *y, const int n,
  const double tau1, const double tau2, double *tmp
);
int corDispersion(double *x, double *y, const int n, const double tau, double *tmp);
int simTTM(double *t, double *c0, const int n, const double k, const int cn, double *cout);
int simTTM_i(double *t, double *c0i, const int n, const double k, const int cn, double *cout);
/*****************************************************************************/
/* simoxygen */
/*****************************************************************************/
int simOxygen(
  double *t, double *ca1, double *ca2, double *ca1i, double *ca2i, const int n,
  const double k1a, const double k2a, const double km, 
  const double k1b, const double k2b, 
  const double vb, const double fa, const int vvm,
  double *scpet, double *sct1, double *sct2, double *sctab, 
  double *sctvb1, double *sctvb2, double *scvb1, double *scvb2,
  const int verbose
);
/*****************************************************************************/
/* convolut */
/*****************************************************************************/
int convolve1D(double *data, const int n, double *kernel, const int m, double *out);
int simIsSteadyInterval(double *x, const int n, double *f);
/*****************************************************************************/
/* simblood */
/*****************************************************************************/
typedef struct ICMPARC {
  char name[256];
  double Ti;
  double Tdur;
  double Irate;
  double k_BV_BA;
  double k_BA_U;
  double k_BA_TF;
  double k_BA_TS;
  double k_TF_BV;
  double k_TS_BV;
  unsigned int mNr;
  struct ICMPARC *metabolite;
  struct ICMPARC *parent;
  double kp_BV;
  double kp_TF;
  double kp_TS;
  double *ic_BV;
  double *ic_TS;
  double *ic_TF;
  double *c_BA;
  double *c_BV;
  double *c_TS;
  double *c_TF;
} ICMPARC;
 
void icmparcInit(ICMPARC *d);
int icmparcAddMetabolites(ICMPARC *d, unsigned const int mNr);
int icmparcAllocateTACs(ICMPARC *d, unsigned const int sNr, const int sub);
void icmparcFree(ICMPARC *d);
int simBTAC(double *t, const unsigned int nr, ICMPARC *p, double *cb);
 
int simBM1(double *t, double *ct, const int nr, const double k, double *cp);
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#endif /* _TPCCM_H_ */