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[Matlab] Fix error handling for nAtoms to avoid false positives

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Species can have negative "atoms" of an "element" in the case where the element
is an electron and the species is a positive ion.
This commit is contained in:
Ray Speth 2015-09-08 12:10:10 -04:00
parent 54a71b8f68
commit 0e4b0cba0f
2 changed files with 30 additions and 5 deletions
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2
src/clib/ct.cpp
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@ -327,7 +327,7 @@ extern "C" {
try {
return ThermoCabinet::item(n).nAtoms(k,m);
} catch (...) {
return handleAllExceptions(-1, ERR);
return handleAllExceptions(ERR, ERR);
}
}

33
src/matlab/phasemethods.cpp
View file

@ -112,24 +112,46 @@ void phasemethods(int nlhs, mxArray* plhs[],
case 1:
// floating-point attributes
vv = phase_temperature(ph);
if (vv == DERR) {
reportError();
}
break;
case 2:
vv = phase_density(ph);
if (vv == DERR) {
reportError();
}
break;
case 3:
vv = phase_molarDensity(ph);
if (vv == DERR) {
reportError();
}
break;
case 4:
vv = phase_meanMolecularWeight(ph);
if (vv == DERR) {
reportError();
}
break;
case 8:
vv = 1.0/phase_density(ph);
vv = phase_density(ph);
if (vv == DERR) {
reportError();
}
vv = 1.0/vv;
break;
case 10:
vv = static_cast<int>(phase_nElements(ph));
if (vv == -1) {
reportError();
}
break;
case 11:
vv = static_cast<int>(phase_nSpecies(ph));
if (vv == -1) {
reportError();
}
break;
case 12:
input_buf = getString(prhs[3]);
@ -143,18 +165,21 @@ void phasemethods(int nlhs, mxArray* plhs[],
k = getInt(prhs[3]);
m = getInt(prhs[4]);
vv = phase_nAtoms(ph,k-1,m-1);
if (vv == ERR) {
reportError();
}
break;
case 15:
show_thermo = getInt(prhs[3]);
threshold = getDouble(prhs[4]);
vv = write_phase(ph,show_thermo,threshold);
if (vv == -1 || vv == ERR) {
reportError();
}
break;
default:
mexErrMsgTxt("Unknown job number");
}
if (vv == DERR || vv == -1 || vv == ERR) {
reportError();
}
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
double* h = mxGetPr(plhs[0]);
*h = vv;