180 lines
4.5 KiB
C++
180 lines
4.5 KiB
C++
/**
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* @file mixturemethods.cpp
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*/
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#include <iostream>
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#include "clib/ctmultiphase.h"
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#include "clib/ct.h"
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#include "ctmatutils.h"
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using namespace std;
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void mixturemethods(int nlhs, mxArray* plhs[],
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int nrhs, const mxArray* prhs[])
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{
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int m, iok = 0, n;
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int job = getInt(prhs[1]);
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int i = getInt(prhs[2]);
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double r = Undef;
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double v = Undef;
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if (nrhs > 3 && job != 8 && job != 22 && job != 23) {
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v = getDouble(prhs[3]);
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}
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// constructor
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if (job == 0) {
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n = mix_new();
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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 = double(n);
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if (n < 0) {
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reportError();
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}
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return;
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}
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// options that do not return a value
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double moles, err;
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char* nmstr, *XY, *nm;
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int maxiter, maxsteps, loglevel;
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if (job < 15) {
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switch (job) {
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case 1:
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iok = mix_del(i);
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break;
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case 2:
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iok = mix_copy(i);
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break;
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case 3:
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iok = mix_assign(i, int(v));
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break;
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case 4:
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checkNArgs(5, nrhs);
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moles = getDouble(prhs[4]);
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iok = mix_addPhase(i, int(v), moles);
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break;
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case 5:
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iok = mix_setTemperature(i, v);
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break;
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case 6:
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iok = mix_setPressure(i, v);
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break;
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case 7:
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checkNArgs(5, nrhs);
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moles = getDouble(prhs[4]);
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iok = mix_setPhaseMoles(i, int(v)-1, moles);
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break;
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case 8:
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checkNArgs(4, nrhs);
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nmstr = getString(prhs[3]);
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iok = mix_setMolesByName(i, nmstr);
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break;
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default:
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mexErrMsgTxt("unknown job parameter");
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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 = double(iok);
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if (iok < 0) {
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reportError();
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}
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return;
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}
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// options that return a value of type 'double'
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else if (job < 40) {
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switch (job) {
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case 19:
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r = (double) mix_nPhases(i);
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break;
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case 21:
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r = (double) mix_nElements(i);
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break;
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case 22:
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checkNArgs(4, nrhs);
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nm = getString(prhs[3]);
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r = (double) mix_elementIndex(i, nm)+1;
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break;
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case 23:
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checkNArgs(5, nrhs);
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m = getInt(prhs[3]);
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n = getInt(prhs[4]);
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r = (double) mix_speciesIndex(i, m-1, n-1)+1;
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break;
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case 24:
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r = (double) mix_nSpecies(i);
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break;
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case 25:
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r = mix_temperature(i);
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break;
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case 26:
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r = mix_pressure(i);
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break;
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case 27:
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m = getInt(prhs[4]);
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r = mix_nAtoms(i,int(v), m);
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break;
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case 28:
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r = mix_phaseMoles(i, int(v)-1);
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break;
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case 29:
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r = mix_speciesMoles(i, int(v)-1);
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break;
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case 30:
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r = mix_elementMoles(i, int(v)-1);
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break;
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case 31:
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checkNArgs(8, nrhs);
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XY = getString(prhs[3]);
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err = getDouble(prhs[4]);
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maxsteps = getInt(prhs[5]);
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maxiter = getInt(prhs[6]);
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loglevel = getInt(prhs[7]);
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r = mix_equilibrate(i, XY, err, maxsteps,
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maxiter, loglevel);
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break;
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default:
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mexErrMsgTxt("unknown job parameter");
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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 = r;
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if (r == Undef) {
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reportError();
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}
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return;
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}
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// species properties
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else if (job < 60) {
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int iok = 0;
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mwSize nsp = (mwSize) mix_nSpecies(i);
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std::vector<double> x(nsp);
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switch (job) {
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case 41:
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iok = mix_getChemPotentials(i,nsp, &x[0]);
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break;
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default:
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;
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}
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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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if (iok >= 0) {
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for (mwSize i = 0; i < nsp; i++) {
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h[i] = x[i];
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}
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return;
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} else {
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for (mwSize i = 0; i < nsp; i++) {
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h[i] = -999.99;
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}
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mexErrMsgTxt("unknown attribute");
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return;
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}
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}
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}
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