Feature renormalized photoelectric cross sections and ICRU90 recommended values for key data

HEN_HOUSE/egs++/egs_advanced_application.cpp

@@ -277,6 +277,9 @@ class EGS_LOCAL EGS_TransportProperty {
  options.push_back(opt);
  type = 2;
  };
+ void setOption(const int &index, const char *opt) {
+ options[index] = opt;
+ };
  void getInput(EGS_Input *input) {
  if (type == 1) {
  EGS_Float aux;
@@ -496,9 +499,13 @@ int EGS_AdvancedApplication::helpInit(EGS_Input *transportp, bool do_hatch) {
  rayl.addOption("custom");
  EGS_TransportProperty ff_med("ff media names",24,MXMED,&ff_media);
  EGS_TransportProperty ff_files("ff file names",128,MXMED, &ff_names);
+
  EGS_TransportProperty relax("Atomic relaxations",&the_xoptions->iedgfl);
  relax.addOption("Off");
  relax.addOption("On");
+ relax.addOption("eadl");
+ relax.addOption("simple");
+
  EGS_TransportProperty iphter("Photoelectron angular sampling",
  &the_xoptions->iphter);
  iphter.addOption("Off");
@@ -562,6 +569,16 @@ int EGS_AdvancedApplication::helpInit(EGS_Input *transportp, bool do_hatch) {
  setRayleighData(ff_media,ff_names);
  }
  relax.getInput(transportp);
+ if (the_xoptions->iedgfl == 0 || the_xoptions->iedgfl == 3) {
+ the_xoptions->eadl_relax = 0;
+ }
+ else {
+ the_xoptions->eadl_relax = 1;
+ // Now, 'On' means EADL relaxation
+ if (the_xoptions->iedgfl == 1) {
+ relax.setOption(1,"eadl");
+ }
+ }
  iphter.getInput(transportp);
  spin.getInput(transportp);
  trip.getInput(transportp);
@@ -576,6 +593,32 @@ int EGS_AdvancedApplication::helpInit(EGS_Input *transportp, bool do_hatch) {
  the_etcontrol->transport_algorithm = 0;
  }
  bca.getInput(transportp);
+
+ if (egsEquivStr(string("mcdf-xcom "),
+ string(the_media->pxsec).substr(0,pxsec.size()))) {
+ the_xoptions->mcdf_pe_xsections = 1;
+ string("xcom ").copy(the_media->pxsec,16,0);
+ }
+ else if (egsEquivStr(string("mcdf-epdl "),
+ string(the_media->pxsec).substr(0,pxsec.size()))) {
+ the_xoptions->mcdf_pe_xsections = 1;
+ string("epdl ").copy(the_media->pxsec,16,0);
+ }
+ else {
+ the_xoptions->mcdf_pe_xsections = 0;
+ }
+
+ // iedgfl == 3 implies eadl_relax == 0
+ if (the_xoptions->iedgfl == 3 &&
+ the_xoptions->mcdf_pe_xsections == 1) {
+ egsWarning("\n**** Warning:"
+ "\n Simplified atomic relaxation not allowed"
+ "\n with shellwise PE cross sections. Resetting"
+ "\n to detailed EADL atomic relaxation!!!\n\n");
+ the_xoptions->eadl_relax = 1;
+ the_xoptions->iedgfl = 2;
+ relax.setOption(1,"eadl");
+ }
  }
 
  if (do_hatch) {
@@ -668,6 +711,19 @@ int EGS_AdvancedApplication::helpInit(EGS_Input *transportp, bool do_hatch) {
  egsInformation("\n\nTransport parameter and cross section options:\n"
  "==============================================\n");
  int nc = 50;
+ // Recover initial input string to reflect what's actually being used
+ // the_media->pxsec was already used in egsHatch() to read photon data
+ if (the_xoptions->mcdf_pe_xsections &&
+ egsEquivStr(string("xcom "),
+ string(the_media->pxsec).substr(0,pxsec.size()))) {
+ string("mcdf-xcom ").copy(the_media->pxsec,16,0);
+ }
+ else if (the_xoptions->mcdf_pe_xsections &&
+ egsEquivStr(string("epdl "),
+ string(the_media->pxsec).substr(0,pxsec.size()))) {
+ string("mcdf-epdl ").copy(the_media->pxsec,16,0);
+ }
+
  if (!isspace(the_media->pxsec[0])) {
  pxsec.info(nc);
  }
@@ -715,7 +771,6 @@ int EGS_AdvancedApplication::helpInit(EGS_Input *transportp, bool do_hatch) {
  if (efield.size()==3 || bfield.size()==3) {
  estepem.info(nc);
  }
-
  egsInformation("==============================================\n\n");
 
  delete [] ind;
@@ -776,7 +831,7 @@ void EGS_AdvancedApplication::setEIIData(EGS_I32 len) {
  the_xoptions->eii_flag = 0;
  }
  else if (str_eii == on) {
- strcpy(the_media->eiixsec,ik.c_str());
+ ik.copy(the_media->eiixsec,16,0);
  }
 }
 

HEN_HOUSE/egs++/egs_functions.cpp

@@ -23,7 +23,7 @@
 #
 # Author: Iwan Kawrakow, 2005
 #
-# Contributors:
+# Contributors: Ernesto Mainegra-Hing
 #
 ###############################################################################
 */
@@ -331,3 +331,14 @@ bool egsIsAbsolutePath(const string &path) {
 #endif
 }
 
+bool egsEquivStr(const string &a, const string &b) {
+ unsigned int sz = a.size();
+ if (b.size() != sz) {
+ return false;
+ }
+ for (unsigned int i = 0; i < sz; ++i)
+ if (tolower(a[i]) != tolower(b[i])) {
+ return false;
+ }
+ return true;
+}

HEN_HOUSE/egs++/egs_functions.h

@@ -23,7 +23,7 @@
 #
 # Author: Iwan Kawrakow, 2005
 #
-# Contributors:
+# Contributors: Ernesto Mainegra-Hing
 #
 ###############################################################################
 */
@@ -225,5 +225,6 @@ int EGS_EXPORT egsGetEndian();
  */
 bool EGS_EXPORT egsIsAbsolutePath(const string &path);
 
+bool EGS_EXPORT egsEquivStr(const string &a, const string &b);
 
 #endif

HEN_HOUSE/gui/egs_inprz/include/tooltips.h

@@ -442,21 +442,25 @@ static const char* sources[] = {
 #define BREMS_ANG_SAMPLING "If KM: complete modified Koch-Motz 2BS used." \
  "\nIf Simple: only leading term used."
 
-#define BOUND_COMPTON "If On, Compton scattering treated in the Impuls Approximation," \
+#define BOUND_COMPTON "If On, Compton scattering treated with the RIA model," \
  "\nelse treated with Klein-Nishina. Make sure to turn it on for" \
  "\nlow energy applications. Default is On."
 #define PE_ANG_SAMPLING "If Off, photo-electrons get direction of `mother' photon," \
  "\nelse Sauter's formula used (which is, striktly speaking," \
  "\nvalid only for K-shell photo-absorption)."
 
-#define RAYLEIGH_SCAT "Turns on/off coherent (Rayleigh) scattering." \
- "\nDefault is Off. Should be turned on for low energy" \
- "\napplications but needs PEGS4 data set with data."
+#define RAYLEIGH_SCAT  "Turns on/off coherent (Rayleigh) scattering." \
+ "\nShould be turned on for low energy applications." \
+ "\nDefault is On."
 
 #define RELAXATION_TIP "If On, shell vacancies relaxed via emission of fluorescent X-Rays," \
  "\nAuger and Koster-Cronig electrons (element and shell sampled from" \
  "\nappropriate cross sections). Make sure to turn this option on for" \
- "\nlow energy applications. Default is On."
+ "\nlow energy applications. Default is EADL (On)."\
+ "\n On: Full EADL atomic relaxation"\
+ "\n Off: No atomic relaxation"\
+ "\n EADL: Full EADL atomic relaxation"\
+ "\n simple: Atomic relaxations for K, L1-L3,<M>, and <N> shells"
 
 #define ESTEPE_ALGORITHM "Algorithm used to take into account lateral and longitudinal" \
  "\ncorrelations in a condensed history step."
@@ -466,9 +470,11 @@ static const char* sources[] = {
  "\nICRU radiative stopping powers)."
 
 #define PHOTON_XSECTION "Select photon cross section compilation." \
- "\n si: Default photon cross section (Storm&Israel)" \
- "\n xcom: Data taken directly from the XCOM library" \
+ "\n si: Data taken from the compilation by Storm&Israel" \
+ "\n xcom: Data taken directly from the XCOM library (default)" \
  "\n epdl: Data taken directly from the EPDL97 library" \
+ "\n mcdf-xcom: Renormalized photoelectric xsections, XCOM for the rest" \
+ "\n mcdf-epdl: Renormalized photoelectric xsections, EPDL for the rest" \
  "\nPEGS4: Data taken directly from the PEGS4 file" \
  "\n\nThe prefix for any other photon cross setion compilation" \
  "\nplaced in $HEN_HOUSE/data/ in the form prefix_*.data" \

HEN_HOUSE/gui/egs_inprz/src/inputRZForm.cpp

@@ -3815,6 +3815,9 @@ for(QStringList::Iterator it = ini.begin(); it != ini.end(); ++it ) {
  prefix += (*it);
  }
 }
+/* Insert prefixes requesting use of either xcom or epdl library
+ * with renormalized photoelectric xsections */
+prefix +="mcdf-xcom"; prefix +="mcdf-epdl";
 /* Insert prefix "pegs4" which requests use of the pegs4 data */
 prefix +="PEGS4";
 

HEN_HOUSE/gui/egs_inprz/ui/inputRZ.ui

@@ -371,7 +371,7 @@
  <enum>QTabWidget::Rounded</enum>
  </property>
  <property name="currentIndex">
- <number>5</number>
+ <number>7</number>
  </property>
  <property name="iconSize">
  <size>
@@ -8228,6 +8228,16 @@ Will start in /pegs4/density_corrections/ subdirectory off the directory selecte
  <string>Off in Regions</string>
  </property>
  </item>
+ <item>
+ <property name="text">
+ <string>eadl</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>simple</string>
+ </property>
+ </item>
  </widget>
  </item>
  </layout>

HEN_HOUSE/interface/egs_c_interface2.macros

@@ -248,11 +248,13 @@ REPLACE {;COMIN/USEFUL/;} WITH {
 REPLACE {;COMIN/X-OPTIONS/;} WITH {
  ;common/xsection_options/ ibrdst, iprdst, ibr_nist, spin_effects,
  ibcmp,iraylr,iedgfl,iphter,pair_nrc,itriplet,
- radc_flag,eii_flag,iphotonuc;
+ radc_flag,eii_flag,iphotonuc,
+ eadl_relax, mcdf_pe_xsections;
  $INTEGER ibrdst, iprdst, ibr_nist,eii_flag,iphotonuc,
  ibcmp,iraylr,iedgfl,iphter,pair_nrc,
  radc_flag,itriplet;
  $LOGICAL spin_effects;
+ $LOGICAL eadl_relax, mcdf_pe_xsections;
 };
 
 " Again, to remove geometry dependence make e_max_rr and i_do_rr sclars"
@@ -293,7 +295,8 @@ REPLACE {$set-region-by-region-defaults;} WITH {;
  ecut = 0; pcut = 0; smaxir = $MAX-SMAX;
  ecut_new = 0; pcut_new = 0; smax_new = $MAX-SMAX;
  rhor = 1; rhor_new = 1;
- ibcmp = $IBCMP-DEFAULT; iraylr = 0; iphotonuc=$IPHOTONUCR-DEFAULT;
+ ibcmp = $IBCMP-DEFAULT;
+ iraylr = $IRAYLR-DEFAULT; iphotonuc=$IPHOTONUCR-DEFAULT;
  iedgfl = $IEDGFL-DEFAULT; iphter = $IPHTER-DEFAULT;
  i_do_rr = 0; e_max_rr = 0; e_max_rr_new = 0;
 };
@@ -512,7 +515,7 @@ APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-PHOTO;};
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-PHOTON;};
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-EII-INIT;};
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-INIT-TRIPLET;};
-APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-GET-TRANSPORTP;};
+"APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-GET-TRANSPORTP;}; already there"
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-MOLLER;};
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-RADC-INIT;};
 APPEND {;COMIN/X-OPTIONS/;} TO {$COMIN-INIT-NIST-BREMS;};

HEN_HOUSE/interface/egs_interface2.h

@@ -411,7 +411,7 @@ struct EGS_XOptions {
 
  Can be set in the input file using
  \verbatim
- Pair angular samplin= Off or Simple or KM
+ Pair angular sampling= Off or Simple or KM
  \endverbatim
  */
  EGS_I32 iprdst;
@@ -466,7 +466,7 @@ struct EGS_XOptions {
 
  /*! Atomic relaxations flag. If set to 1 (the default), vacancies
  created in shells with binding energies above 1 keV will be relaxed
- by fluorscent, Auger and Coster-Kronig transitions. Vacancies
+ by fluorescent, Auger and Coster-Kronig transitions. Vacancies
  can be currently created after photo-absorption, bound Compton scattering
  and electron inelastic scattering (if eii_flag is not 0).
  If set to 0, the binding energy will be given to the photo-electron
@@ -546,6 +546,10 @@ struct EGS_XOptions {
  */
  EGS_I32 iphotonuc;
 
+ EGS_I32 eadl_relax;
+
+ EGS_I32 mcdf_pe_xsections;
+
 };
 
 /*! \brief A structure corresponding to the \c egs_vr common block

HEN_HOUSE/omega/progs/gui/beamnrc/beamnrc_gui.tcl

@@ -300,6 +300,10 @@ global numopts options
  }
  # Place PEGS4 option to end of the list
  set options(photon_xsections,0) $xsect
+ set options(photon_xsections,[expr $numopts(photon_xsections)-1]) "mcdf-xcom"
+ set numopts(photon_xsections) [expr $numopts(photon_xsections)+1]
+ set options(photon_xsections,[expr $numopts(photon_xsections)-1]) "mcdf-epdl"
+ set numopts(photon_xsections) [expr $numopts(photon_xsections)+1]
  set options(photon_xsections,[expr $numopts(photon_xsections)-1]) "PEGS4"
  } else {
  # If for some reason no photon data available, one can still use the