static float Jump_from_L2(int Z,float E)
{
float Factor=1.0,JumpL1,JumpL2,JumpK;
float TaoL1=0.0,TaoL2=0.0;
if( E > EdgeEnergy(Z,K_SHELL) ) {
JumpK = JumpFactor(Z,K_SHELL) ;
if( JumpK <= 0. )
return 0. ;
Factor /= JumpK ;
}
JumpL1 = JumpFactor(Z,L1_SHELL) ;
JumpL2 = JumpFactor(Z,L2_SHELL) ;
if(E>EdgeEnergy (Z,L1_SHELL)) {
if( JumpL1 <= 0.|| JumpL2 <= 0. )
return 0. ;
TaoL1 = (JumpL1-1) / JumpL1 ;
TaoL2 = (JumpL2-1) / (JumpL2*JumpL1) ;
}
else if( E > EdgeEnergy(Z,L2_SHELL) ) {
if( JumpL2 <= 0. )
return 0. ;
TaoL1 = 0. ;
TaoL2 = (JumpL2-1)/(JumpL2) ;
}
else
Factor = 0;
Factor *= (TaoL2 + TaoL1*CosKronTransProb(Z,F12_TRANS)) * FluorYield(Z,L2_SHELL) ;
return Factor;
}
static double Jump_from_L2(int Z, double E, xrl_error **error)
{
double Factor = 1.0, JumpL1, JumpL2, JumpK;
double TaoL1 = 0.0, TaoL2 = 0.0;
double edgeK = EdgeEnergy(Z, K_SHELL, NULL);
double edgeL1 = EdgeEnergy(Z, L1_SHELL, NULL);
double edgeL2 = EdgeEnergy(Z, L2_SHELL, NULL);
double ck_L12, yield;
if (E > edgeK && edgeK > 0.0) {
JumpK = JumpFactor(Z, K_SHELL, NULL);
if (JumpK == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
Factor /= JumpK ;
}
JumpL1 = JumpFactor(Z, L1_SHELL, NULL);
JumpL2 = JumpFactor(Z, L2_SHELL, NULL);
if (E > edgeL1 && edgeL1 > 0.0) {
if (JumpL1 == 0.0 || JumpL2 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
TaoL1 = (JumpL1 - 1) / JumpL1 ;
TaoL2 = (JumpL2 - 1) / (JumpL2 * JumpL1) ;
}
else if (E > edgeL2 && edgeL2 > 0.0) {
if (JumpL2 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
TaoL1 = 0.0;
TaoL2 = (JumpL2 - 1) / JumpL2;
}
else {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, TOO_LOW_EXCITATION_ENERGY);
return 0.0;
}
ck_L12 = CosKronTransProb(Z, F12_TRANS, NULL);
if (TaoL1 > 0 && ck_L12 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_CK);
return 0.0;
}
yield = FluorYield(Z, L2_SHELL, NULL);
if (yield == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_FLUOR_YIELD);
return 0.0;
}
Factor *= (TaoL2 + TaoL1 * ck_L12) * yield;
return Factor;
}
static float Jump_from_L3(int Z,float E )
{
float Factor=1.0,JumpL1,JumpL2,JumpL3,JumpK;
float TaoL1=0.0,TaoL2=0.0,TaoL3=0.0;
if( E > EdgeEnergy(Z,K_SHELL) ) {
JumpK = JumpFactor(Z,K_SHELL) ;
if( JumpK <= 0. )
return 0.;
Factor /= JumpK ;
}
JumpL1 = JumpFactor(Z,L1_SHELL) ;
JumpL2 = JumpFactor(Z,L2_SHELL) ;
JumpL3 = JumpFactor(Z,L3_SHELL) ;
if( E > EdgeEnergy(Z,L1_SHELL) ) {
if( JumpL1 <= 0.|| JumpL2 <= 0. || JumpL3 <= 0. )
return 0. ;
TaoL1 = (JumpL1-1) / JumpL1 ;
TaoL2 = (JumpL2-1) / (JumpL2*JumpL1) ;
TaoL3 = (JumpL3-1) / (JumpL3*JumpL2*JumpL1) ;
}
else if( E > EdgeEnergy(Z,L2_SHELL) ) {
if( JumpL2 <= 0. || JumpL3 <= 0. )
return 0. ;
TaoL1 = 0. ;
TaoL2 = (JumpL2-1) / (JumpL2) ;
TaoL3 = (JumpL3-1) / (JumpL3*JumpL2) ;
}
else if( E > EdgeEnergy(Z,L3_SHELL) ) {
TaoL1 = 0. ;
TaoL2 = 0. ;
if( JumpL3 <= 0. )
return 0. ;
TaoL3 = (JumpL3-1) / JumpL3 ;
}
else
Factor = 0;
Factor *= (TaoL3 + TaoL2 * CosKronTransProb(Z,F23_TRANS) +
TaoL1 * (CosKronTransProb(Z,F13_TRANS) + CosKronTransProb(Z,FP13_TRANS)
+ CosKronTransProb(Z,F12_TRANS) * CosKronTransProb(Z,F23_TRANS))) ;
Factor *= (FluorYield(Z,L3_SHELL) ) ;
return Factor;
}
static float Jump_from_L1(int Z,float E)
{
float Factor=1.0,JumpL1,JumpK;
if( E > EdgeEnergy(Z,K_SHELL) ) {
JumpK = JumpFactor(Z,K_SHELL) ;
if( JumpK <= 0. )
return 0. ;
Factor /= JumpK ;
}
if (E > EdgeEnergy(Z, L1_SHELL)) {
JumpL1 = JumpFactor(Z, L1_SHELL);
if (JumpL1 <= 0.0) return 0.0;
Factor *= ((JumpL1-1)/JumpL1) * FluorYield(Z, L1_SHELL);
}
else
return 0.;
return Factor;
}
static double Jump_from_L1(int Z, double E, xrl_error **error)
{
double Factor = 1.0, JumpL1, JumpK;
double edgeK = EdgeEnergy(Z, K_SHELL, NULL);
double edgeL1 = EdgeEnergy(Z, L1_SHELL, NULL);
double yield;
if (E > edgeK && edgeK > 0.0) {
JumpK = JumpFactor(Z, K_SHELL, NULL);
if (JumpK == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
Factor /= JumpK ;
}
if (E > edgeL1 && edgeL1 > 0.0) {
JumpL1 = JumpFactor(Z, L1_SHELL, NULL);
if (JumpL1 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
yield = FluorYield(Z, L1_SHELL, NULL);
if (yield == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_FLUOR_YIELD);
return 0.0;
}
Factor *= ((JumpL1 - 1) / JumpL1) * yield;
}
else {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, TOO_LOW_EXCITATION_ENERGY);
return 0.0;
}
return Factor;
}
double CS_FluorLine(int Z, int line, double E, xrl_error **error)
{
double JumpK;
double cs_line, Factor = 1.0;
if (Z < 1 || Z > ZMAX) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, Z_OUT_OF_RANGE);
return 0.0;
}
if (E <= 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, NEGATIVE_ENERGY);
return 0.0;
}
if (line >= KN5_LINE && line <= KB_LINE) {
double edgeK = EdgeEnergy(Z, K_SHELL, error);
double cs, rr;
if (E > edgeK && edgeK > 0.0) {
double yield;
JumpK = JumpFactor(Z, K_SHELL, error);
if (JumpK == 0.0) {
return 0.0;
}
yield = FluorYield(Z, K_SHELL, error);
if (yield == 0.0) {
return 0.0;
}
Factor = ((JumpK - 1)/JumpK) * yield;
}
else if (edgeK == 0.0) {
return 0.0;
}
else {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, TOO_LOW_EXCITATION_ENERGY);
return 0.0;
}
cs = CS_Photo(Z, E, error);
if (cs == 0.0) {
return 0.0;
}
rr = RadRate(Z, line, error);
if (rr == 0.0) {
return 0.0;
}
cs_line = cs * Factor * rr;
}
else if ((line <= L1L2_LINE && line >= L3Q1_LINE) || line == LA_LINE) {
double cs, rr;
cs = CS_Photo(Z, E, error);
if (cs == 0.0) {
return 0.0;
}
rr = RadRate(Z, line, error);
if (rr == 0.0) {
return 0.0;
}
if (line >= L1P5_LINE && line <= L1L2_LINE) {
Factor = Jump_from_L1(Z, E, error);
}
else if (line >= L2Q1_LINE && line <= L2L3_LINE) {
Factor = Jump_from_L2(Z, E, error);
}
/*
* it's safe to use LA_LINE since it's only composed of 2 L3-lines
*/
else if ((line >= L3Q1_LINE && line <= L3M1_LINE) || line == LA_LINE) {
Factor = Jump_from_L3(Z, E, error);
}
if (Factor == 0.0) {
return 0.0;
}
cs_line = cs * Factor * rr;
}
else if (line == LB_LINE) {
/*
* b1->b17
*/
double cs;
cs_line = Jump_from_L2(Z, E, NULL) * (RadRate(Z, L2M4_LINE, NULL) + RadRate(Z, L2M3_LINE, NULL)) +
Jump_from_L3(Z, E, NULL) * (RadRate(Z, L3N5_LINE, NULL) + RadRate(Z, L3O4_LINE, NULL) + RadRate(Z, L3O5_LINE, NULL) + RadRate(Z, L3O45_LINE, NULL) + RadRate(Z, L3N1_LINE, NULL) + RadRate(Z, L3O1_LINE, NULL) + RadRate(Z, L3N6_LINE, NULL) + RadRate(Z, L3N7_LINE, NULL) + RadRate(Z, L3N4_LINE, NULL)) +
Jump_from_L1(Z, E, NULL) * (RadRate(Z, L1M3_LINE, NULL) + RadRate(Z, L1M2_LINE, NULL) + RadRate(Z, L1M5_LINE, NULL) + RadRate(Z, L1M4_LINE, NULL));
if (cs_line == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, TOO_LOW_EXCITATION_ENERGY);
return 0.0;
}
cs = CS_Photo(Z, E, error);
if (cs == 0.0) {
return 0.0;
}
cs_line *= cs;
}
else {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, INVALID_LINE);
return 0.0;
}
return cs_line;
}
static double Jump_from_L3(int Z, double E, xrl_error **error)
{
double Factor=1.0, JumpL1, JumpL2, JumpL3, JumpK;
double TaoL1=0.0, TaoL2=0.0, TaoL3=0.0;
double edgeK = EdgeEnergy(Z, K_SHELL, NULL);
double edgeL1 = EdgeEnergy(Z, L1_SHELL, NULL);
double edgeL2 = EdgeEnergy(Z, L2_SHELL, NULL);
double edgeL3 = EdgeEnergy(Z, L3_SHELL, NULL);
double ck_L23, ck_L13, ck_LP13, ck_L12;
double yield;
if (E > edgeK && edgeK > 0.0) {
JumpK = JumpFactor(Z, K_SHELL, NULL);
if (JumpK == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
Factor /= JumpK ;
}
JumpL1 = JumpFactor(Z, L1_SHELL, NULL);
JumpL2 = JumpFactor(Z, L2_SHELL, NULL);
JumpL3 = JumpFactor(Z, L3_SHELL, NULL);
if (E > edgeL1 && edgeL1 > 0.0) {
if (JumpL1 == 0.0 || JumpL2 == 0.0 || JumpL3 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
TaoL1 = (JumpL1 - 1) / JumpL1 ;
TaoL2 = (JumpL2 - 1) / (JumpL2 * JumpL1) ;
TaoL3 = (JumpL3 - 1) / (JumpL3 * JumpL2 * JumpL1) ;
}
else if (E > edgeL2 && edgeL2 > 0.0) {
if (JumpL2 == 0.0 || JumpL3 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
TaoL1 = 0.0;
TaoL2 = (JumpL2 - 1) / (JumpL2) ;
TaoL3 = (JumpL3 - 1) / (JumpL3 * JumpL2) ;
}
else if (E > edgeL3 && edgeL3 > 0.0) {
TaoL1 = 0.0;
TaoL2 = 0.0;
if (JumpL3 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_JUMP_FACTOR);
return 0.0;
}
TaoL3 = (JumpL3 - 1) / JumpL3 ;
}
else {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, TOO_LOW_EXCITATION_ENERGY);
return 0.0;
}
ck_L23 = CosKronTransProb(Z, F23_TRANS, NULL);
ck_L13 = CosKronTransProb(Z, F13_TRANS, NULL);
ck_LP13 = CosKronTransProb(Z, FP13_TRANS, NULL);
ck_L12 = CosKronTransProb(Z, F12_TRANS, NULL);
if (TaoL2 > 0.0 && ck_L23 == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_CK);
return 0.0;
}
if (TaoL1 > 0.0 && (ck_L13 + ck_LP13 == 0.0 || ck_L12 == 0.0 || ck_L23 == 0.0)) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_CK);
return 0.0;
}
Factor *= TaoL3 + TaoL2 * ck_L23 + TaoL1 * (ck_L13 + ck_LP13 + ck_L12 * ck_L23);
yield = FluorYield(Z, L3_SHELL, NULL);
if (yield == 0.0) {
xrl_set_error_literal(error, XRL_ERROR_INVALID_ARGUMENT, UNAVAILABLE_FLUOR_YIELD);
return 0.0;
}
Factor *= yield;
return Factor;
}
float CS_FluorLine(int Z, int line, float E)
{
float JumpK;
float cs_line, Factor = 1.;
if (Z<1 || Z>ZMAX) {
ErrorExit("Z out of range in function CS_FluorLine");
return 0;
}
if (E <= 0.) {
ErrorExit("Energy <=0 in function CS_FluorLine");
return 0;
}
if (line>=KN5_LINE && line<=KB_LINE) {
if (E > EdgeEnergy(Z, K_SHELL)) {
JumpK = JumpFactor(Z, K_SHELL);
if (JumpK <= 0.)
return 0.;
Factor = ((JumpK-1)/JumpK) * FluorYield(Z, K_SHELL);
}
else
return 0.;
cs_line = CS_Photo(Z, E) * Factor * RadRate(Z, line) ;
}
else if (line>=L1P5_LINE && line<=L1L2_LINE) {
Factor=Jump_from_L1(Z,E);
cs_line = CS_Photo(Z, E) * Factor * RadRate(Z, line) ;
}
else if (line>=L2Q1_LINE && line<=L2L3_LINE) {
Factor=Jump_from_L2(Z,E);
cs_line = CS_Photo(Z, E) * Factor * RadRate(Z, line) ;
}
/*
* it's safe to use LA_LINE since it's only composed of 2 L3-lines
*/
else if ((line>=L3Q1_LINE && line<=L3M1_LINE) || line==LA_LINE) {
Factor=Jump_from_L3(Z,E);
cs_line = CS_Photo(Z, E) * Factor * RadRate(Z, line) ;
}
else if (line==LB_LINE) {
/*
* b1->b17
*/
cs_line=Jump_from_L2(Z,E)*(RadRate(Z,L2M4_LINE)+RadRate(Z,L2M3_LINE))+
Jump_from_L3(Z,E)*(RadRate(Z,L3N5_LINE)+RadRate(Z,L3O4_LINE)+RadRate(Z,L3O5_LINE)+RadRate(Z,L3O45_LINE)+RadRate(Z,L3N1_LINE)+RadRate(Z,L3O1_LINE)+RadRate(Z,L3N6_LINE)+RadRate(Z,L3N7_LINE)+RadRate(Z,L3N4_LINE)) +
Jump_from_L1(Z,E)*(RadRate(Z,L1M3_LINE)+RadRate(Z,L1M2_LINE)+RadRate(Z,L1M5_LINE)+RadRate(Z,L1M4_LINE));
cs_line*=CS_Photo(Z, E);
}
else {
ErrorExit("Line not allowed in function CS_FluorLine");
return 0;
}
return (cs_line);
}
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;
}