void
rmlasttag()
{
deltag();
ewmh_update_net_number_of_desktops();
ewmh_process_net_desktop_names();
ewmh_process_net_desktop_layout();
}
void
settags(unsigned int numtags)
{
if (1 > numtags || scr->nmons > numtags || numtags > MAXTAGS)
return;
while (scr->ntags < numtags)
addtag();
while (scr->ntags > numtags)
deltag();
ewmh_update_net_number_of_desktops();
ewmh_process_net_desktop_names();
ewmh_process_net_desktop_layout();
}
/* ------------ estimates equilibrium compositions ------------ */
void inest(void)
{
double xt1[MAXPHASE],
xt2[MAXPHASE],
par,xl,ikl,s,s1;
int i,j,k,lt,L;
ikl = 0.0;
lt = 0;
/* -- setup data for linear programming routine --- */
/* -- we will use sc[][] temporaly as the linear programing matrix -- */
for ( i = 1; i <= ne; i++) sc[i][m+ne+1] = gai[i];
for ( j = 1; j <= m ; j++)
for (i = 1; i <= ne; i++) sc[i][j] = bm[j][i]; /* transpose matrix */
for (j = 1; j <= m; j++) sc[ne+2][j] = ff[j]; /* changed -ff[j] to ff[j] and do minimising */
/* ------ insert linear prog here ---------- */
lin_prog(aw,sc);
for (i = 1; i <= m; i++) {
ds[i] = 0.0;
w[i] = aw[i];
if (aw[i] == 0.0) w[i] = 1e-2;
}
for (i = 1; i <= m; i++) wt[i] = w[i];
basopt(FALSE);
/* ----- calculate total gaseous and liquid moles ---- */
/* ----- chemical potentials of basis ---------------- */
for (i = 1; i <= no_phases; i++)
tmole1[i] = tinert[i];
for (i = 1; i <= nc; i++) {
if ( si[i] != SINGLE) tmole1[si[i]] += wt[i];
}
for (i = 1; i <= nc; i++) {
if ( si[i] != SINGLE) fe[i] = ff[i] + log((double)wt[i]/tmole1[si[i]]); /* check if tmole1[] could be zero */
}
for (i = nc+1; i <= m; i++) fe[i] = ff[i];
deltag(0,1,n);
/* ------ estimate reaction adjustments ---------- */
for (i = 1; i <= no_phases; i++) {
delta_mole[i] = 0.0;
if ( tmole1[i] != 0.0 ) {
xt1[i] = log((double)1e32 * tmole1[i]);
xt2[i] = log((double)1e-32 * tmole1[i]);
}
}
/* ++++++ equation 3.4 in Canadian Jour of Chemical Engineer Vol 46 August 1968 +++++ */
for (i = 1; i <= nr; i++)
{
L = ir[i];
if ( si[L] != SINGLE )
{
if ( dg[i] < xt1[si[L]] && dg[i] > xt2[si[L]] )
{
ds[L] = tmole1[si[L]] * exp(-dg[i]);
for (k = 1; k <= nc; k++)
ds[k] += sc[k][i] * ds[L];
delta_mole[si[L]] += d_mole[si[L]][i] * ds[L];
}
}
}
/* ------- keep basis specie positive ------------- */
par = 0.5;
for (i = 1; i <= nc; i++)
if ( par < (-ds[i]/wt[i]) ) par = -ds[i]/wt[i];
par = 1.0/par;
if ( par <= 1.0 && par > 0.0 )
par = 0.8*par;
else
par = 1.0;
/* ------- calculate new mole numbers ------------ */
while(TRUE)
{
for (i = 1; i <= nc; i++)
w[i] = wt[i] + par*ds[i];
for (i = nc+1; i <= m; i++)
if (ds[i] != 0.0 ) w[i] = ds[i]*par;
for (i = 1; i <= no_phases; i++)
tmole[i] = tmole1[i] + delta_mole[i]*par;
if( lt > 0 )
return;
/* ------- convergence - forcing section ---------- */
dfe(w,0,0); /* for tmole and components + all reactions */
s = 0.0;
for (i = 1; i <= mr; i++)
s += ds[i]*fe[i];
if ( s < 0.0 && ikl <= 0.0 )
return;
else if ( s == 0.0 )
return;
if ( ikl <= 0.0 )
{
/* -- try half step size --- */
s1 = s;
par *= 0.5;
ikl = 1.0;
}
else
{
/* ---- fit parabola thro half and full steps ----- */
xl = 0.5 * (1.0 - s/(s1-s));
if ( xl >= 0.0 )
{
if ( xl <= 1.0 )
par *= 2.0*xl;
else /* too big a step, take orginal full step */
par *= 2.0;
}
else /* poor direction reduce step size */
par *= 0.2;
lt = 1;
}
}
}
