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/* ------- file: -------------------------- scatter.c ---------------
Version: rh2.0
Author: Han Uitenbroek ([email protected])
Last modified: Thu Feb 22 17:02:07 2024 --
-------------------------- ----------RH-- */
/* --- Evaluate scattering integral for PRD transition pointed to
by transition pointer PRDline.
Adapted for Cross-Redistribution by:
Eliza Miller-Ricci (Middlebury College), Jun 29 2001
Note: Scratch files for the redistribution weights are now written
in a location determined from PRD_FILE_TEMPLATE. The files are
no longer automatically deleted. Careful, they can be quite big.
-- -------------- */
#include <stdlib.h>
#include <math.h>
#include "rh.h"
#include "atom.h"
#include "atmos.h"
#include "spectrum.h"
#include "inputs.h"
#include "constant.h"
#include "error.h"
#include "statistics.h"
#define TENSION 8.0
#define PRD_FILE_TEMPLATE "PRD_%s_%d-%d.dat"
/* --- Function prototypes -- -------------- */
/* --- Global variables -- -------------- */
extern Atmosphere atmos;
extern Spectrum spectrum;
extern InputData input;
extern char messageStr[];
/* ------- begin -------------------------- PRDScatter.c ------------ */
void PRDScatter(AtomicLine *PRDline, enum Interpolation representation)
{
const char routineName[] = "PRDScatter";
register int la, k, lap, kr, ip, kxrd;
char filename[MAX_LINE_SIZE];
bool_t hunt, initialize;
int Np, Nread, Nwrite, ij, Nsubordinate;
double q_emit, q0, qN, *q_abs = NULL, *qp = NULL, *wq = NULL,
*qpp = NULL, *gii = NULL, *adamp, cDop, gnorm, *J = NULL,
Jbar, scatInt, *J_k = NULL, *Pj, gamma, waveratio;
Atom *atom;
AtomicLine *line, **XRD, *XRDline;
AtomicContinuum *continuum;
/* --- Routine for angle-averaged and hybrid angle-dependent
approximation. In the latter Jgas is used instead of J -- -- */
atom = PRDline->atom;
if (!PRDline->PRD) {
sprintf(messageStr, "Line %d -> %d of %2s is not a PRD line",
PRDline->j, PRDline->i, atom->ID);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
getCPU(3, TIME_START, NULL);
/* --- Open temporary file for storage of redistribution weights when
called for the first time -- -------------- */
initialize = FALSE;
if (PRDline->fp_GII == NULL) {
sprintf(filename,
(atom->ID[1] == ' ') ? "PRD_%.1s_%d-%d.dat" : "PRD_%s_%d-%d.dat",
atom->ID, PRDline->j, PRDline->i);
initialize = TRUE;
if ((PRDline->fp_GII = fopen(filename, "w+")) == NULL) {
sprintf(messageStr, "Unable to open temporary file %s", filename);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
}
if (!initialize) rewind(PRDline->fp_GII);
/* --- Set XRD line array -- -------------- */
if (input.XRD)
Nsubordinate = 1 + PRDline->Nxrd;
else
Nsubordinate = 1;
XRD = (AtomicLine **) malloc(Nsubordinate * sizeof(AtomicLine*));
XRD[0] = PRDline;
if (input.XRD) {
for (kxrd = 0; kxrd < PRDline->Nxrd; kxrd++)
XRD[kxrd + 1] = PRDline->xrd[kxrd];
}
/* --- Initialize the emission profile ratio rho -- -------------- */
for (la = 0; la < PRDline->Nlambda; la++) {
for (k = 0; k < atmos.Nspace; k++) {
PRDline->rho_prd[la][k] = 1.0;
}
}
Pj = (double *) malloc (atmos.Nspace * sizeof(double));
adamp = (double *) malloc (atmos.Nspace * sizeof(double));
cDop = (NM_TO_M * PRDline->lambda0) / (4.0 * PI);
for (k = 0; k < atmos.Nspace; k++) {
adamp[k] = (PRDline->Grad + PRDline->Qelast[k]) * cDop / atom->vbroad[k];
/* --- Evaluate the total rate Pj out of the line's upper level - */
Pj[k] = PRDline->Qelast[k];
for (ip = 0; ip < atom->Nlevel; ip++) {
ij = ip * atom->Nlevel + PRDline->j;
Pj[k] += atom->C[ij][k];
}
for (kr = 0; kr < atom->Nline; kr++) {
line = &atom->line[kr];
if (line->j == PRDline->j) Pj[k] += line->Rji[k];
if (line->i == PRDline->j) Pj[k] += line->Rij[k];
}
for (kr = 0; kr < atom->Ncont; kr++) {
continuum = &atom->continuum[kr];
if (continuum->j == PRDline->j) Pj[k] += continuum->Rji[k];
if (continuum->i == PRDline->j) Pj[k] += continuum->Rij[k];
}
}
/* --- Loop over subordinate lines -- -------------- */
for (kxrd = 0; kxrd < Nsubordinate; kxrd++) {
XRDline = XRD[kxrd];
waveratio = XRDline->lambda0 / PRDline->lambda0;
J_k = realloc(J_k, XRDline->Nlambda * sizeof(double));
q_abs = realloc(q_abs, XRDline->Nlambda * sizeof(double));
/* --- Loop over all spatial locations -- -------------- */
for (k = 0; k < atmos.Nspace; k++) {
gamma = atom->n[XRDline->i][k] / atom->n[PRDline->j][k] *
XRDline->Bij / Pj[k];
Jbar = XRDline->Rij[k] / XRDline->Bij;
/* --- Get local mean intensity and wavelength in Doppler units */
if (input.PRD_angle_dep == PRD_ANGLE_APPROX) {
for (la = 0; la < XRDline->Nlambda; la++) {
J_k[la] = spectrum.Jgas[XRDline->Nblue + la][k];
q_abs[la] = (XRDline->lambda[la] - XRDline->lambda0) * CLIGHT /
(XRDline->lambda0 * atom->vbroad[k]);
}
} else if (input.PRD_angle_dep == PRD_ANGLE_AVER) {
for (la = 0; la < XRDline->Nlambda; la++) {
J_k[la] = spectrum.J[XRDline->Nblue + la][k];
q_abs[la] = (XRDline->lambda[la] - XRDline->lambda0) * CLIGHT /
(XRDline->lambda0 * atom->vbroad[k]);
}
}
switch (representation) {
case LINEAR:
break;
case SPLINE:
splineCoef(XRDline->Nlambda, q_abs, J_k);
break;
case EXP_SPLINE:
exp_splineCoef(XRDline->Nlambda, q_abs, J_k, TENSION);
break;
}
/* --- Outer wavelength loop over emission wavelengths -- ----- */
for (la = 0; la < PRDline->Nlambda; la++) {
q_emit = (PRDline->lambda[la] - PRDline->lambda0) * CLIGHT /
(PRDline->lambda0 * atom->vbroad[k]);
/* --- Establish integration limits over absorption wavelength,
using only regions where the redistribution function is
non-zero. (See also function GII.) -- -------------- */
if (fabs(q_emit) < PRD_QCORE) {
q0 = -PRD_QWING;
qN = PRD_QWING;
} else {
if (fabs(q_emit) < PRD_QWING) {
if (q_emit > 0.0) {
q0 = -PRD_QWING;
qN = waveratio * (q_emit + PRD_QSPREAD);
} else {
q0 = waveratio * (q_emit - PRD_QSPREAD);
qN = PRD_QWING;
}
} else {
q0 = waveratio * (q_emit - PRD_QSPREAD);
qN = waveratio * (q_emit + PRD_QSPREAD);
}
}
Np = (int) ((qN - q0) / PRD_DQ) + 1;
qp = (double *) realloc(qp, Np * sizeof(double));
for (lap = 1, qp[0] = q0; lap < Np; lap++)
qp[lap] = qp[lap - 1] + PRD_DQ;
/* --- Fold interpolation of J for symmetric lines. -- ------ */
if (XRDline->symmetric) {
qpp = (double *) realloc(qpp, Np * sizeof(double));
for (lap = 0; lap < Np; lap++) qpp[lap] = fabs(qp[lap]);
}
/* --- Interpolate mean intensity onto fine grid. Choose linear,
spline or exponential spline interpolation -- -------- */
J = (double *) realloc(J, Np * sizeof(double));
switch (representation) {
case LINEAR:
Linear(XRDline->Nlambda, q_abs, J_k, Np,
(XRDline->symmetric) ? qpp : qp, J, hunt=TRUE);
break;
case SPLINE:
splineEval(Np, (XRDline->symmetric) ? qpp : qp, J, hunt=TRUE);
break;
case EXP_SPLINE:
exp_splineEval(Np, (XRDline->symmetric) ? qpp : qp, J, hunt=TRUE);
break;
}
/* --- Compute the redistribution weights -- -------------- */
gii = (double *) realloc(gii, Np * sizeof(double));
if (initialize) {
/* --- Integration weights (See: Press et al. Numerical Recipes,
p. 107, eq. 4.1.12) -- -------------- */
wq = (double *) realloc(wq, Np * sizeof(double));
wq[0] = 5.0/12.0 * PRD_DQ;
wq[1] = 13.0/12.0 * PRD_DQ;
for (lap = 2; lap < Np-2; lap++) wq[lap] = PRD_DQ;
wq[Np-1] = 5.0/12.0 * PRD_DQ;
wq[Np-2] = 13.0/12.0 * PRD_DQ;
for (lap = 0; lap < Np; lap++)
gii[lap] = GII(adamp[k], waveratio, q_emit, qp[lap]) * wq[lap];
if ((Nwrite =
fwrite(gii, sizeof(double), Np, PRDline->fp_GII)) != Np) {
sprintf(messageStr,
"Unable to write proper number of redistribution weights\n"
" Wrote %d instead of %d.\n Line %d -> %d, la = %d, k = %d",
Nwrite, Np, XRDline->j, XRDline->i, la, k);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
} else {
if ((Nread =
fread(gii, sizeof(double), Np, PRDline->fp_GII)) != Np) {
sprintf(messageStr,
"Unable to read proper number of redistribution weights\n"
" Read %d instead of %d.\n Line %d -> %d, la = %d, k = %d",
Nread, Np, XRDline->j, XRDline->i, la, k);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
}
/* --- Inner wavelength loop doing actual wavelength integration
over absorption wavelengths -- -------------- */
gnorm = 0.0;
scatInt = 0.0;
for (lap = 0; lap < Np; lap++) {
gnorm += gii[lap];
scatInt += J[lap] * gii[lap];
}
PRDline->rho_prd[la][k] += gamma*(scatInt/gnorm - Jbar);
}
}
}
/* --- Clean temporary variable space -- -------------- */
for (kxrd = 0; kxrd < Nsubordinate; kxrd++) {
if (XRD[kxrd]->symmetric) {
free(qpp);
break;
}
}
free(J_k); free(q_abs); free(gii);
free(qp); free(wq); free(J);
free(XRD); free(Pj); free(adamp);
sprintf(messageStr, "Scatter Int %5.1f", PRDline->lambda0);
getCPU(3, TIME_POLL, messageStr);
}
/* ------- end ---------------------------- PRDScatter.c ------------ */
/* ------- begin -------------------------- PRDAngleScatter.c ------- */
void PRDAngleScatter(AtomicLine *PRDline,
enum Interpolation representation)
{
const char routineName[] = "PRDAngleScatter";
register int la, k, lap, kr, ip, mu, mup;
char filename[MAX_LINE_SIZE];
bool_t hunt, initialize, to_obs, to_obs_p;
int Np, Nread, Nwrite, ij, lamu;
double *v_emit, v0, vN, *v_abs = NULL, *vp = NULL, *wv = NULL,
*rii = NULL, *adamp, *Jbar, cDop, *RIInorm, *I = NULL,
**Imup, *Ik, *Pj, *gamma, **v_los, *phi_emit, wmup, *sv;
Atom *atom;
AtomicLine *line;
AtomicContinuum *continuum;
/* --- Calculate the angle-dependent scattering integral when
angle-dependent scattering is requested. -- -------------- */
atom = PRDline->atom;
if (!PRDline->PRD) {
sprintf(messageStr, "Line %d -> %d of %2s is not a PRD line",
PRDline->j, PRDline->i, atom->ID);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
getCPU(3, TIME_START, NULL);
cDop = (NM_TO_M * PRDline->lambda0) / (4.0 * PI);
initialize = FALSE;
if (PRDline->fp_GII == NULL) {
sprintf(filename,
(atom->ID[1] == ' ') ? "PRD_%.1s_%d-%d.dat" : "PRD_%s_%d-%d.dat",
atom->ID, PRDline->j, PRDline->i);
initialize = TRUE;
if ((PRDline->fp_GII = fopen(filename, "w+")) == NULL) {
sprintf(messageStr, "Unable to open temporary file %s", filename);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
}
if (!initialize) rewind(PRDline->fp_GII);
/* --- Temporary storage space -- -------------- */
Imup = matrix_double(PRDline->Nlambda, atmos.Nspace);
Ik = (double *) malloc(PRDline->Nlambda * sizeof(double));
v_emit = (double *) malloc(atmos.Nspace * sizeof(double));
v_abs = (double *) malloc(PRDline->Nlambda * sizeof(double));
adamp = (double *) malloc(atmos.Nspace * sizeof(double));
v_los = matrix_double(atmos.Nrays, atmos.Nspace);
gamma = (double *) malloc(atmos.Nspace * sizeof(double));
Pj = (double *) malloc(atmos.Nspace * sizeof(double));
Jbar = (double *) malloc(atmos.Nspace * sizeof(double));
RIInorm = (double *) malloc(atmos.Nspace * sizeof(double));
sv = (double *) malloc(atmos.Nspace * sizeof(double));
/* --- Evaluate first the total rate Pj out of the line's upper level
and then the coherency fraction gamma -- -------------- */
for (k = 0; k < atmos.Nspace; k++)
Pj[k] = PRDline->Qelast[k];
for (ip = 0; ip < atom->Nlevel; ip++) {
ij = ip * atom->Nlevel + PRDline->j;
for (k = 0; k < atmos.Nspace; k++)
Pj[k] += atom->C[ij][k];
}
for (kr = 0; kr < atom->Nline; kr++) {
line = &atom->line[kr];
if (line->j == PRDline->j)
for (k = 0; k < atmos.Nspace; k++) Pj[k] += line->Rji[k];
if (line->i == PRDline->j)
for (k = 0; k < atmos.Nspace; k++) Pj[k] += line->Rij[k];
}
for (kr = 0; kr < atom->Ncont; kr++) {
continuum = &atom->continuum[kr];
if (continuum->j == PRDline->j)
for (k = 0; k < atmos.Nspace; k++) Pj[k] += continuum->Rji[k];
if (continuum->i == PRDline->j)
for (k = 0; k < atmos.Nspace; k++) Pj[k] += continuum->Rij[k];
}
for (k = 0; k < atmos.Nspace; k++) {
gamma[k] = atom->n[PRDline->i][k] / atom->n[PRDline->j][k] *
PRDline->Bij / Pj[k];
}
/* --- Store line-of-sight velocity in Doppler units to avoid
having to recompute it for every wavelength -- ------------- */
for (mu = 0; mu < atmos.Nrays; mu++) {
for (k = 0; k < atmos.Nspace; k++)
v_los[mu][k] = vproject(k, mu) / atom->vbroad[k];
}
/* --- Depth-dependent damping parameter -- -------------- */
for (k = 0; k < atmos.Nspace; k++) {
Jbar[k] = PRDline->Rij[k] / PRDline->Bij;
sv[k] = 1.0 / (SQRTPI * atom->vbroad[k]);
adamp[k] =
(PRDline->Grad + PRDline->Qelast[k]) * cDop / atom->vbroad[k];
}
/* --- Outer loop over emission wavelength -- -------------- */
for (la = 0; la < PRDline->Nlambda; la++) {
/* --- Loop over emission angle (down and up) -- -------------- */
for (mu = 0; mu < atmos.Nrays; mu++) {
for (to_obs = 0; to_obs <= 1; to_obs++) {
lamu = 2*(atmos.Nrays*la + mu) + to_obs;
if (atmos.moving ||
(PRDline->polarizable && input.StokesMode == FULL_STOKES))
phi_emit = PRDline->phi[lamu];
else
phi_emit = PRDline->phi[la];
for (k = 0; k < atmos.Nspace; k++) {
PRDline->rho_prd[lamu][k] = 0.0;
RIInorm[k] = 0.0;
}
/* --- Depth-dependent emission wavelengths for this
direction (in Doppler units). -- -------------- */
if (to_obs) {
for (k = 0; k < atmos.Nspace; k++)
v_emit[k] = (PRDline->lambda[la] - PRDline->lambda0) * CLIGHT /
(atom->vbroad[k] * PRDline->lambda0) + v_los[mu][k];
} else {
for (k = 0; k < atmos.Nspace; k++)
v_emit[k] = (PRDline->lambda[la] - PRDline->lambda0) * CLIGHT /
(atom->vbroad[k] * PRDline->lambda0) - v_los[mu][k];
}
/* --- Loop over absorption directions -- -------------- */
for (mup = 0; mup < atmos.Nrays; mup++) {
wmup = 0.5 * atmos.wmu[mup];
for (to_obs_p = 0; to_obs_p <= 1; to_obs_p++) {
/* --- Read specific intensity in this direction for all
wavelengths -- -------------- */
for (lap = 0; lap < PRDline->Nlambda; lap++)
readImu(PRDline->Nblue + lap, mup, to_obs_p, Imup[lap]);
/* --- Loop over space -- -------------- */
for (k = 0; k < atmos.Nspace; k++) {
for (lap = 0; lap < PRDline->Nlambda; lap++) {
Ik[lap] = Imup[lap][k];
/* --- Array of absorption wavelengths in this
direction -- -------------- */
if (to_obs_p)
v_abs[lap] =
(PRDline->lambda[lap] - PRDline->lambda0) * CLIGHT /
(PRDline->lambda0 * atom->vbroad[k]) + v_los[mup][k];
else
v_abs[lap] =
(PRDline->lambda[lap] - PRDline->lambda0) * CLIGHT /
(PRDline->lambda0 * atom->vbroad[k]) - v_los[mup][k];
}
/* --- Setup spline interpolation coefficients for the
integration over absorption intensity -- ------- */
switch (representation) {
case SPLINE:
splineCoef(PRDline->Nlambda, v_abs, Ik);
break;
case EXP_SPLINE:
exp_splineCoef(PRDline->Nlambda, v_abs, Ik, TENSION);
break;
case LINEAR: break;
}
/* --- Establish integration limits over absorption
wavelength, using only regions where the
redistribution function is non-zero. -- -------- */
if (fabs(v_emit[k]) < PRD_QCORE) {
v0 = -PRD_QWING;
vN = PRD_QWING;
} else {
if (fabs(v_emit[k]) < PRD_QWING) {
if (v_emit[k] > 0.0) {
v0 = -PRD_QWING;
vN = v_emit[k] + PRD_QSPREAD;
} else {
v0 = v_emit[k] - PRD_QSPREAD;
vN = PRD_QWING;
}
} else {
v0 = v_emit[k] - PRD_QSPREAD;
vN = v_emit[k] + PRD_QSPREAD;
}
}
Np = (int) ((vN - v0) / PRD_DQ) + 1;
vp = (double *) realloc(vp, Np * sizeof(double));
for (lap = 1, vp[0] = v0; lap < Np; lap++)
vp[lap] = vp[lap - 1] + PRD_DQ;
/* --- Interpolate specific intensity onto fine grid.
Choose linear, spline or exponential spline
interpolation -- -------------- */
I = (double *) realloc(I, Np * sizeof(double));
switch (representation) {
case LINEAR:
Linear(PRDline->Nlambda, v_abs, Ik, Np, vp, I, hunt=TRUE);
break;
case SPLINE:
splineEval(Np, vp, I, hunt=TRUE);
break;
case EXP_SPLINE:
exp_splineEval(Np, vp, I, hunt=TRUE);
break;
}
/* --- Compute the redistribution weights -- ---------- */
rii = (double *) realloc(rii, Np * sizeof(double));
if (initialize) {
/* --- Integration weights (See: Press et al.
Numerical Recipes, p. 107, eq. 4.1.12) -- ---- */
wv = (double *) realloc(wv, Np * sizeof(double));
wv[0] = 5.0/12.0 * PRD_DQ;
wv[1] = 13.0/12.0 * PRD_DQ;
for (lap = 2; lap < Np-2; lap++) wv[lap] = PRD_DQ;
wv[Np-1] = 5.0/12.0 * PRD_DQ;
wv[Np-2] = 13.0/12.0 * PRD_DQ;
/* --- RII(x, mu, x', mu')/phi(x, mu) -- ------------ */
for (lap = 0; lap < Np; lap++) {
rii[lap] = RII(v_emit[k], vp[lap], adamp[k], mu, mup) *
(sv[k] / phi_emit[k]) * wv[lap] * wmup;
}
if ((Nwrite = fwrite(rii, sizeof(double), Np,
PRDline->fp_GII)) != Np) {
sprintf(messageStr,
"Unable to write proper number of redistribution weights\n"
" Wrote %d instead of %d.\n Line %d -> %d, la = %d, k = %d",
Nwrite, Np, PRDline->j, PRDline->i, la, k);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
} else {
if ((Nread = fread(rii, sizeof(double), Np,
PRDline->fp_GII)) != Np) {
sprintf(messageStr,
"Unable to read proper number of redistribution weights\n"
" Read %d instead of %d.\n Line %d -> %d, la = %d, k = %d",
Nread, Np, PRDline->j, PRDline->i, la, k);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
}
/* --- Inner wavelength loop doing actual wavelength
integration over absorption wavelengths -- ----- */
for (lap = 0; lap < Np; lap++) {
RIInorm[k] += rii[lap];
PRDline->rho_prd[lamu][k] += I[lap] * rii[lap];
}
}
}
}
for (k = 0; k < atmos.Nspace; k++) {
PRDline->rho_prd[lamu][k] = 1.0 +
gamma[k] * (PRDline->rho_prd[lamu][k]/RIInorm[k] - Jbar[k]);
}
}
}
}
/* --- Clean temporary variable space -- -------------- */
freeMatrix((void **) Imup);
freeMatrix((void **) v_los);
free(Ik); free(v_abs); free(v_emit); free(adamp);
free(gamma); free(Pj);
free(wv); free(I); free(rii);
free(vp); free(Jbar); free(RIInorm); free(sv);
sprintf(messageStr, "Scatter Int %5.1f", PRDline->lambda0);
getCPU(3, TIME_POLL, messageStr);
}
/* ------- end ---------------------------- PRDAngleScatter.c ------- */