double CS_Total_CP(const char compound[], double E) {
struct compoundData *cd;
struct compoundDataNIST *cdn;
int i;
double rv = 0.0;
if ((cd = CompoundParser(compound)) == NULL) {
ErrorExit("CS_Total_CP: CompoundParser failed. Trying NIST compound database.");
if ((cdn = GetCompoundDataNISTByName(compound)) == NULL) {
ErrorExit("CS_Total_CP: Compound not found in NIST compound database.");
return rv;
}
else {
for (i = 0 ; i < cdn->nElements ; i++)
rv += CS_Total(cdn->Elements[i], E)*cdn->massFractions[i];
FreeCompoundDataNIST(cdn);
}
}
else {
for (i = 0 ; i < cd->nElements ; i++)
rv += CS_Total(cd->Elements[i], E)*cd->massFractions[i];
FreeCompoundData(cd);
}
return rv;
}
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;
}
float CS_Total_CP(const char compound[], float E) {
struct compoundData *cd;
int i;
double rv = 0.0;
if ((cd = CompoundParser(compound)) == NULL) {
ErrorExit("CS_Total_CP: CompoundParser error");
return 0.0;
}
for (i = 0 ; i < cd->nElements ; i++)
rv += CS_Total(cd->Elements[i], E)*cd->massFractions[i];
FreeCompoundData(cd);
return rv;
}
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 main()
{
double th1_deg = 45;
int th2_deg;
double E=50, E1, Erc, Ecc;
double RhoAl=2.7;
double SAl = 0.01;
double PAbsR, PAbsC, PAbsRC, PAbsCC;
double d1=20, r1=0.2, d2=10, r2=0.1, Omega1, A1, Omega2, A2;
double th1, th2;
double PR, PC, P1;
double PRRa, PRCa, PCRa, PCCa;
XRayInit();
th1 = th1_deg*PI/180;
A1 = PI*r1*r1;
Omega1 = A1/d1/d1;
PAbsR = exp(-1.19*2.*(0.0805*CS_Total(1,E) + 0.5999*CS_Total(6,E) +
0.3196*CS_Total(8,E)));
E1 = ComptonEnergy(E, th1);
PAbsC = exp(-1.19*2.*(0.0805*CS_Total(1,E1) + 0.5999*CS_Total(6,E1) +
0.3196*CS_Total(8,E1)));
PR = RhoAl*SAl*DCSP_Rayl(13, E, th1, PI/2)*Omega1*PAbsR;
PC = RhoAl*SAl*DCSP_Compt(13, E, th1, PI/2)*Omega1*PAbsC;
A2 = PI*r2*r2;
Omega2 = A2/d2/d2;
for (th2_deg=-90; th2_deg<=90; th2_deg+=1) {
if(th2_deg==0) th2=1e-5;
else th2 = fabs(PI/180*th2_deg);
Erc = ComptonEnergy(E, th2);
PAbsRC = exp(-1.19*2.*(0.0805*CS_Total(1,Erc) + 0.5999*CS_Total(6,Erc) +
0.3196*CS_Total(8,Erc)));
Ecc = ComptonEnergy(E1, th2);
PAbsCC = exp(-1.19*2.*(0.0805*CS_Total(1,Ecc) + 0.5999*CS_Total(6,Ecc) +
0.3196*CS_Total(8,Ecc)));
PRRa = PR*RhoAl*SAl*DCSP_Rayl(13, E, th2, PI/2)*Omega2*PAbsR;
PRCa = PR*RhoAl*SAl*DCSP_Compt(13, E, th2, PI/2)*Omega2*PAbsRC;
PCRa = PC*RhoAl*SAl*DCSP_Rayl(13, E1, th2, PI/2)*Omega2*PAbsC;
PCCa = PC*RhoAl*SAl*DCSP_Compt(13, E1, th2, PI/2)*Omega2*PAbsCC;
P1 = 1e10*(PRRa+PRCa+PCRa+PCCa);
printf("%d\t%g\n", th2_deg, P1);
}
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;
}
