int getXRayCS (int mode, double massThickness)
{
int i, Z=0;
float energy_keV;
double cosThetaIn;
if (verbose > 3) { fprintf(stdout, "getXRayCS: targetFormula = %s\n", targetFormula); }
if (mode > 9 ) { Z = SymbolToAtomicNumber ( targetFormula ); }
if (verbose > 2) {
fprintf(stdout, "\n Index PhotonEnergy TotalCS PhotoCS coherentCS incohrentCS");
if ( mode==2 || mode==12 ) { fprintf(stdout, " Transmission Absorption ");
} else if ( mode==4 || mode==14 ) { fprintf(stdout, " Transmission Absorption FrontTEY(QE) BackTEY(QE) TEY(QE) ");
}
fprintf(stdout, "\n (eV) (cm2/g) (cm2/g) (cm2/g) (cm2/g) ");
}
cosThetaIn = cos(thetaIn * degToRad);
for ( i = 0; i < npts; i++ ) {
energy_keV = 0.001 * energy[i];
if ( mode < 10 ) {
total[i] = CS_Total_CP ( targetFormula, energy_keV );
photo[i] = CS_Photo_CP ( targetFormula, energy_keV );
rayleigh[i] = CS_Rayl_CP ( targetFormula, energy_keV );
compton[i] = CS_Compt_CP ( targetFormula, energy_keV );
} else {
total[i] = CS_Total ( Z, energy_keV );
photo[i] = CS_Photo ( Z, energy_keV );
rayleigh[i] = CS_Rayl ( Z, energy_keV );
compton[i] = CS_Compt ( Z, energy_keV );
}
if (verbose>2) { fprintf(stdout, "\n %4d %10.1f %12.4g %10.4g %12.4g %12.4g", i, energy[i], total[i], photo[i], rayleigh[i], compton[i]); }
if ( mode==2 || mode==4 || mode==12 || mode==14 ) {
transmission [i] = exp(-1.0 * massThickness * total[i] / cosThetaIn );
absorption[i] = 1.0 - transmission[i];
if (verbose>2) { fprintf(stdout, " %12.4f %12.4g", transmission[i], absorption[i]); }
if ( mode==4 || mode==14 ) {
eYieldFront[i] = teyEfficiency * energy[i] * total[i] / cosThetaIn ; /* Front surface total electron yield */
eYieldBack[i] = teyEfficiency * energy[i] * total[i] / cosThetaIn * transmission [i]; /* Back surface total electron yield */
electronYield[i] = eYieldFront[i] + eYieldBack[i];
if (verbose>2) { fprintf(stdout, "%12.4g %12.4g %12.4g", eYieldFront[i], eYieldBack[i], electronYield[i] ); }
}
}
}
if (verbose)
fprintf(stdout, "\n");
return 0;
}
int main(int argc, char **argv) {
xrl_error *error = NULL;
double cs_photo, cs_compt, cs_rayl, cs_total, cs_energy;
double (* const cs[])(int, double, xrl_error **) = {CS_Photo, CS_Compt, CS_Rayl, CS_Total, CS_Energy};
int i;
/* CS_Photo */
cs_photo = CS_Photo(10, 10.0, &error);
assert(error == NULL);
assert(fabs(cs_photo - 11.451033638148562) < 1E-4);
/* CS_Compt */
cs_compt = CS_Compt(10, 10.0, &error);
assert(error == NULL);
assert(fabs(cs_compt - 0.11785269096475783) < 1E-4);
/* CS_Rayl */
cs_rayl = CS_Rayl(10, 10.0, &error);
assert(error == NULL);
assert(fabs(cs_rayl - 0.39841164641058013) < 1E-4);
/* CS_Total */
cs_total = CS_Total(10, 10.0, &error);
assert(error == NULL);
/* internal consistency check */
assert(fabs(cs_total - cs_photo - cs_compt - cs_rayl) < 1E-3);
/* CS_Energy */
cs_energy = CS_Energy(10, 10.0, &error);
assert(error == NULL);
assert(fabs(cs_energy - 11.420221747941419) < 1E-4);
/* bad input */
for (i = 0 ; i < sizeof(cs)/sizeof(cs[0]) ; i++) {
double v;
/* bad Z */
v = cs[i](-1, 10.0, &error);
assert(error != NULL);
assert(error->code == XRL_ERROR_INVALID_ARGUMENT);
assert(strcmp(error->message, Z_OUT_OF_RANGE) == 0);
assert(v == 0.0);
xrl_clear_error(&error);
v = cs[i](ZMAX, 10.0, &error);
assert(error != NULL);
assert(error->code == XRL_ERROR_INVALID_ARGUMENT);
assert(strcmp(error->message, Z_OUT_OF_RANGE) == 0);
assert(v == 0.0);
xrl_clear_error(&error);
/* bad energy */
v = cs[i](26, 0.0, &error);
assert(error != NULL);
assert(error->code == XRL_ERROR_INVALID_ARGUMENT);
assert(strcmp(error->message, NEGATIVE_ENERGY) == 0);
assert(v == 0.0);
xrl_clear_error(&error);
v = cs[i](26, -1.0, &error);
assert(error != NULL);
assert(error->code == XRL_ERROR_INVALID_ARGUMENT);
assert(strcmp(error->message, NEGATIVE_ENERGY) == 0);
assert(v == 0.0);
xrl_clear_error(&error);
}
return 0;
}
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;
}
