static int xmi_write_xrmc_spectrumfile(char *xrmc_spectrumfile, struct xmi_input *input) {
FILE *filePtr;
int i, j, k;
if ((filePtr = fopen(xrmc_spectrumfile, "w")) == NULL) {
fprintf(stderr, "Could not write to %s\n", xrmc_spectrumfile);
return 0;
}
fprintf(filePtr, "Newdevice spectrum\n");
fprintf(filePtr, "Spectrum\n");
fprintf(filePtr, "PolarizedFlag 1\n");
fprintf(filePtr, "LoopFlag 1\n");
fprintf(filePtr, "ContinuousPhotonNum 1\n");
fprintf(filePtr, "LinePhotonNum 1\n");
fprintf(filePtr, "RandomEneFlag 1\n");
if (input->excitation->n_discrete > 0) {
fprintf(filePtr, "Lines\n%i\n", input->excitation->n_discrete);
for (i = 0 ; i < input->excitation->n_discrete ; i++) {
double blb = 1.0;
for (j = 0 ; j < input->absorbers->n_exc_layers ; j++) {
double mu = 0.0;
for (k = 0 ; k < input->absorbers->exc_layers[j].n_elements ; k++) {
mu += CS_Total_Kissel(input->absorbers->exc_layers[j].Z[k], input->excitation->discrete[i].energy)*input->absorbers->exc_layers[j].weight[k];
}
blb *= exp(-1.0*mu*input->absorbers->exc_layers[j].density*input->absorbers->exc_layers[j].thickness);
}
fprintf(filePtr, "%g %g %g %g\n", input->excitation->discrete[i].energy, (input->excitation->discrete[i].distribution_type == XMI_DISCRETE_GAUSSIAN) ? input->excitation->discrete[i].scale_parameter : 0.0, blb*input->excitation->discrete[i].horizontal_intensity, blb*input->excitation->discrete[i].vertical_intensity);
}
}
if (input->excitation->n_continuous > 0) {
fprintf(filePtr, "ContinuousSpectrum\n%i\n", input->excitation->n_continuous);
for (i = 0 ; i < input->excitation->n_continuous ; i++) {
double blb = 1.0;
for (j = 0 ; j < input->absorbers->n_exc_layers ; j++) {
double mu = 0.0;
for (k = 0 ; k < input->absorbers->exc_layers[j].n_elements ; k++) {
mu += CS_Total_Kissel(input->absorbers->exc_layers[j].Z[k], input->excitation->continuous[i].energy)*input->absorbers->exc_layers[j].weight[k];
}
blb *= exp(-1.0*mu*input->absorbers->exc_layers[j].density*input->absorbers->exc_layers[j].thickness);
}
fprintf(filePtr, "%g %g %g\n", input->excitation->continuous[i].energy, blb*input->excitation->continuous[i].horizontal_intensity, blb*input->excitation->continuous[i].vertical_intensity);
}
fprintf(filePtr, "Resample 0\n");
}
fprintf(filePtr, "End\n");
fclose(filePtr);
return 1;
}
double CSb_Total_Kissel(int Z, double E, xrl_error **error) {
double cs = CS_Total_Kissel(Z, E, error);
if (cs == 0.0)
return 0.0;
return cs * AtomicWeight_arr[Z] / AVOGNUM;
}
int getAtomicXRayCS_Kissel (int shellID)
{
int i, Z;
float energy_keV;
Z = SymbolToAtomicNumber ( targetFormula );
edgeEnergy = 0.0;
fluorYield = 1.0;
jumpFactor = 1.0;
levelWidth = 0.0;
electronConfig = Z;
if (verbose > 3) {
fprintf(stdout, "getAtomicXRayCS: Z = %d\n", Z);
fprintf(stdout, "getAtomicXRayCS_Kissel: shellID = %d\n", shellID);
if (verbose>2) { fprintf(stdout, "Index PhotonEnergy TotalCS PhotoCS coherentCS incohrentCS \n"); }
}
if (shellID <= 30 && shellID >= 0) {
edgeEnergy = 1000.0 * EdgeEnergy(Z, shellID);
fluorYield = FluorYield(Z, shellID);
jumpFactor = JumpFactor(Z, shellID);
electronConfig = ElectronConfig(Z, shellID);
levelWidth = AtomicLevelWidth(Z, shellID);
for ( i = 0; i < npts; i++ ) {
energy_keV = 0.001 * energy[i];
if ( energy[i] > edgeEnergy ) {
photo[i] = CS_Photo_Partial (Z, shellID, energy_keV);
} else {
photo[i] = 0.0;
}
total[i] = 0.0;
rayleigh[i] = 0.0;
compton[i] = 0.0;
if (verbose>2) { fprintf(stdout, "%4d %12.1f %12.4g %12.4g %12.4g %12.4g \n", i, energy[i], total[i], photo[i], rayleigh[i], compton[i]); }
}
} else if (shellID > 99) {
for ( i = 0; i < npts; i++ ) {
energy_keV = 0.001 * energy[i];
total[i] = CS_Total_Kissel ( Z, energy_keV );
photo[i] = CS_Photo_Total ( Z, energy_keV );
rayleigh[i] = CS_Rayl ( Z, energy_keV );
compton[i] = CS_Compt ( Z, energy_keV );
if (verbose>2) { fprintf(stdout, "%4d %12.1f %12.4g %12.4g %12.4g %12.4g \n", i, energy[i], total[i], photo[i], rayleigh[i], compton[i]); }
}
} else {
for ( i = 0; i < npts; i++ ) {
energy_keV = 0.001 * energy[i];
photo[i] = CS_Photo ( Z, energy_keV );
total[i] = CS_Total ( Z, energy_keV );
rayleigh[i] = CS_Rayl ( Z, energy_keV );
compton[i] = CS_Compt ( Z, energy_keV );
if (verbose>2) { fprintf(stdout, "%4d %12.1f %12.4g %12.4g %12.4g %12.4g \n", i, energy[i], total[i], photo[i], rayleigh[i], compton[i]); }
}
}
if (verbose > 1) {
fprintf(stdout, "edgeEnergy = %f, fluorYield = %f, jumpFactor = %f,", edgeEnergy, fluorYield, jumpFactor);
fprintf(stdout, " electronConfig = %f, levelWidth = %f \n", electronConfig, levelWidth);
}
return 0;
}
