158 lines
4.5 KiB
C++
158 lines
4.5 KiB
C++
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#include "mex.h"
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#include "ctmatutils.h"
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#include "../../../clib/src/ct.h"
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void checkNArgs(const int n, const int nrhs) {
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if (n != nrhs) {
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mexErrMsgTxt("Wrong number of arguments.");
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}
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}
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void kineticsmethods( int nlhs, mxArray *plhs[],
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int nrhs, const mxArray *prhs[] ) {
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double vv;
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int job = getInt(prhs[2]);
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int kin, irxn;
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// construct a new instance
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if (job == 0) {
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checkNArgs(8, nrhs);
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int root = getInt(prhs[1]);
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int iph = getInt(prhs[3]);
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int in1 = getInt(prhs[4]);
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int in2 = getInt(prhs[5]);
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int in3 = getInt(prhs[6]);
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int in4 = getInt(prhs[7]);
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vv = newKineticsFromXML(root, iph, in1, in2, in3, in4);
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plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
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double *h = mxGetPr(plhs[0]);
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*h = vv;
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return;
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}
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// methods
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else if (job > 0) {
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int isp = 1;
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if (job < 5 || job > 6) checkNArgs(4,nrhs);
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else {
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checkNArgs(5,nrhs);
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isp = getInt(prhs[4]);
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}
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kin = getInt(prhs[1]);
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irxn = getInt(prhs[3]);
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// get scalar attributes
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if (job < 10) {
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switch (job) {
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case 1:
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vv = kin_nReactions(kin); break;
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case 2:
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vv = kin_multiplier(kin, irxn-1); break;
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case 3:
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vv = kin_nSpecies(kin); break;
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case 4:
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vv = kin_isReversible(kin,irxn-1); break;
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case 5:
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vv = kin_reactantStoichCoeff(kin, isp - 1, irxn-1);
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break;
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case 6:
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vv = kin_productStoichCoeff(kin, isp - 1, irxn-1);
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break;
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default:
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mexErrMsgTxt("unknown job");
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}
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plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
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double *h = mxGetPr(plhs[0]);
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*h = vv;
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return;
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}
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else if (job < 20) {
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// get reaction array attributes
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int nr = kin_nReactions(kin);
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plhs[0] = mxCreateNumericMatrix(nr,1,mxDOUBLE_CLASS,mxREAL);
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double *h = mxGetPr(plhs[0]);
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int ok = -10;
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switch (job) {
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case 11:
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ok = kin_getFwdRatesOfProgress(kin,nr,h); break;
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case 12:
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ok = kin_getRevRatesOfProgress(kin,nr,h); break;
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case 13:
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ok = kin_getNetRatesOfProgress(kin,nr,h); break;
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case 14:
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ok = kin_getEquilibriumConstants(kin,nr,h); break;
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default:
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;
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}
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if (ok < 0)
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mexErrMsgTxt("error computing rates of progress");
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}
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else if (job < 30) {
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int nsp = kin_nSpecies(kin);
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plhs[0] = mxCreateNumericMatrix(nsp,1,mxDOUBLE_CLASS,mxREAL);
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double *h = mxGetPr(plhs[0]);
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int ok = -10;
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switch (job) {
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case 21:
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ok = kin_getCreationRates(kin,nsp,h); break;
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case 22:
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ok = kin_getDestructionRates(kin,nsp,h); break;
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case 23:
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ok = kin_getNetProductionRates(kin,nsp,h); break;
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case 24:
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ok = kin_getSourceTerms(kin, nsp, h); break;
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default:
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;
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}
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if (ok < 0)
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mexErrMsgTxt("error computing production rates");
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}
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else if (job < 40) {
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char* buf;
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int iok = -1, buflen = 80;
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switch (job) {
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case 31:
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buf = (char*)mxCalloc(buflen, sizeof(char));
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iok = kin_getReactionString(kin, irxn-1, buflen, buf);
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break;
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default:
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;
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}
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if (iok >= 0) {
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plhs[0] = mxCreateString(buf);
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return;
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}
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else reportError();
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}
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}
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else {
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// set attributes
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int iok = -1;
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job = -job;
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kin = getInt(prhs[1]);
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irxn = getInt(prhs[3]);
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if (job < 10) {
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checkNArgs(5,nrhs);
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double v = getDouble(prhs[4]);
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switch (job) {
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case 1:
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iok = kin_setMultiplier(kin,irxn-1,v); break;
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case 3:
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iok = delKinetics(kin); break;
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case 5:
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iok = kin_advanceCoverages(kin,v); break;
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default:
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mexErrMsgTxt("unknown job");
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}
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}
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if (iok < 0) reportError();
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}
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}
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