inline bool solveInvertible(const DMat<RT>& A,
const DMat<RT>& B,
DMat<RT>& X)
{
DMatLinAlg<RT> LUdecomp(A);
return LUdecomp.solveInvertible(B,X);
}
inline M2_arrayintOrNull LU(const DMat<RT>& A,
DMat<RT>& L,
DMat<RT>& U)
{
std::vector<size_t> perm;
DMatLinAlg<RT> LUdecomp(A);
LUdecomp.matrixPLU(perm, L, U);
return stdvector_to_M2_arrayint(perm);
}
inline M2_arrayintOrNull rankProfile(const DMat<RT>& A,
bool row_profile)
{
std::vector<size_t> profile;
if (row_profile)
{
// First transpose A
DMat<RT> B(A.ring(), A.numColumns(), A.numRows());
MatrixOps::transpose(A,B);
DMatLinAlg<RT> LUdecomp(B);
LUdecomp.columnRankProfile(profile);
return stdvector_to_M2_arrayint(profile);
}
else
{
DMatLinAlg<RT> LUdecomp(A);
LUdecomp.columnRankProfile(profile);
return stdvector_to_M2_arrayint(profile);
}
}
inline size_t nullSpace(const DMat<RT>& A,
DMat<RT>& result_nullspace)
{
DMatLinAlg<RT> LUdecomp(A);
return LUdecomp.kernel(result_nullspace);
}
inline bool inverse(const DMat<RT>& A,
DMat<RT>& result_inv)
{
DMatLinAlg<RT> LUdecomp(A);
return LUdecomp.inverse(result_inv);
}
inline size_t rank(const DMat<RT>& A)
{
DMatLinAlg<RT> LUdecomp(A);
return LUdecomp.rank();
}
inline void determinant(const DMat<RT>& A,
typename RT::ElementType& result)
{
DMatLinAlg<RT> LUdecomp(A);
LUdecomp.determinant(result);
}
void BoxChemStep(int i, int j, int k, long dt,
const Vector *sunpos, double *photorate)
{
double f[MAXSUBST], vv[MAXSUBST], fact, err, origh2o;
int indx[MAXSUBST], il, jl, nit;
ProductionDesc *p;
BOOL repeatit = FALSE;
gli.i = i; gli.j = j; gli.k = k; gli.loc = k*layer+i*row+j;
origh2o = g[HUMIDITY][gli.loc];
g[HUMIDITY][gli.loc] *= 1.608e9;
CalcRateConstants(AbsoluteTemp(g[TEMP][gli.loc], pp[k], origh2o),
dt, density[k], pp[k], sunpos->z, photorate);
for (il = nsubst; il--; ) {
/* if (CONZ(subst[il].subs) < 0.)
printf("Warning: Substance %s got negative: %le\n",
subst[il].name, CONZ(subst[il].subs)); */
if (CONZ(subst[il].subs) < 1.e-30) /* can't really handle such small concentrations */
CONZ(subst[il].subs) = 0.;
}
CalcRates();
for (il = nsubst; il--; ) {
subst[il].oldc = CONZ(subst[il].subs);
subst[il].take_as_fast = 0;
}
/* CalcSlowSubst(); Aenderung am 17.9.97! */
do {
nit = 0;
while (1) {
jcb = CalculateJacobian(jcb);
err = 0.;
for (il = nfast; il--; ) {
err += fabs((f[il] = CONZ(fast[il]->subs) - fast[il]->dcdt - fast[il]->oldc) /
(CONZ(fast[il]->subs) > 1.e-7 ? CONZ(fast[il]->subs) : 1.));
}
if (!repeatit && err < 1.e-5) break;
if (++nit > 500) {
printf("Chemistry is not converging at point %i/%i/%i\n", i, j, k);
PrintConcentrations();
PrintRates(REACTION_RATES);
break;
}
if (LUdecomp(nfast, jcb, indx, &fact, vv)) {
printf("Matrix is singular (in ChemicalTimeStep) at point %d/%d/%d!\n",
i, j, k);
plausible = FALSE;
return;
}
/* if (i == 10 && j == 4 && k == 1)
PrintRates(REACTION_RATES);
PrintMatrix(nfast, jcb, f); */
LUbackSub(nfast, jcb, indx, f);
repeatit = 0;
for (il = nfast; il--; ) {
CONZ(fast[il]->subs) -= f[il];
if (CONZ(fast[il]->subs) < 0.) {
/* printf("Warning: Substance %s got negative: %le\n",
fast[il]->name, CONZ(fast[il]->subs)); */
CONZ(fast[il]->subs) = 0.;
repeatit = 1;
}
}
}
repeatit = 0;
CalcSlowSubst();
for (il = nfast; il--; ) {
if (!fast[il]->oldc ||
fabs(CONZ(fast[il]->subs) - fast[il]->oldc) < 0.1 * fast[il]->oldc) {
fast[il]->take_as_fast = 0;
}
}
for (il = nslow; il--; ) {
if (CONZ(slow[il]->subs) < 0.) {
slow[il]->take_as_fast = repeatit = 1;
}
}
if (repeatit) {
printf("repeating chemistry at point %i/%i/%i\n", i, j, k);
CalcRates();
}
} while (repeatit);
for (p = prodd; p; p = p->next)
p->pps[gli.loc] = (CONZ(p->subs) - subst[p->subs - SUBS + 1].oldc) /
(double)dt;
g[HUMIDITY][k*layer+i*row+j] = origh2o;
}