--- trunk/OOPSE/libBASS/Globals.cpp 2003/04/07 14:30:12 465 +++ trunk/OOPSE/libBASS/Globals.cpp 2003/04/07 21:42:19 474 @@ -44,6 +44,8 @@ #define G_EST 23 #define G_USERF 24 #define G_TARGETPRESSURE 25 +#define G_QMASS 26 +#define G_TAURELAX 27 Globals::Globals(){ @@ -82,6 +84,8 @@ Globals::Globals(){ addHash( "electrostaticSkinThickness", G_EST ); addHash( "useReactionField", G_USERF ); addHash( "targetPressure", G_TARGETPRESSURE); + addHash( "qMass", G_QMASS); + addHash( "tauRelax", G_TAURELAX); // define some default values @@ -113,6 +117,8 @@ Globals::Globals(){ have_tempSet = 0; have_est = 0; have_target_pressure =0; + have_q_mass = 0; + have_tau_relax = 0; } Globals::~Globals(){ @@ -813,11 +819,69 @@ int Globals::globalAssign( event* the_event ){ default: the_event->err_msg = strdup( "Global error. targetPressure unrecognized.\n" ); + return 0; + break; + } + break; + + case G_QMASS: + switch( the_type ){ + + case STRING: + the_event->err_msg = + strdup( "Global error. qMass is not a double or int.\n" ); + return 0; + break; + + case DOUBLE: + q_mass = the_event->evt.asmt.rhs.dval; + have_q_mass = 1; + return 1; + break; + + case INT: + q_mass = (double)the_event->evt.asmt.rhs.ival; + have_q_mass = 1; + return 1; + break; + + default: + the_event->err_msg = + strdup( "Global error. qMass unrecognized.\n" ); return 0; break; } break; + case G_TAURELAX: + switch( the_type ){ + + case STRING: + the_event->err_msg = + strdup( "Global error. tauRelax is not a double or int.\n" ); + return 0; + break; + + case DOUBLE: + tau_relax = the_event->evt.asmt.rhs.dval; + have_tau_relax = 1; + return 1; + break; + + case INT: + tau_relax = (double)the_event->evt.asmt.rhs.ival; + have_tau_relax = 1; + return 1; + break; + + default: + the_event->err_msg = + strdup( "Global error. tauRelax unrecognized.\n" ); + return 0; + break; + } + break; + } }