--- branches/mmeineke/mdtools/headers/Globals.hpp 2002/07/09 18:40:59 10 +++ trunk/mdtools/headers/Globals.hpp 2003/02/24 21:25:15 281 @@ -43,9 +43,10 @@ class Globals{ (public) double getThermalTime( void ) { return thermal_time; } double getDielectric( void ) { return dielectric; } double getRRF( void) { return rRF; } - int getTempSet( void ) { return tempSet; } + int getTempSet( void ) { return tempSet; } + int getPBC( void ) {return usePBC;} + char* getMixingRule( void) { return mixingRule;} - short int haveInitialConfig( void ) { return have_initial_config; } short int haveFinalConfig( void ) { return have_final_config; } short int haveNMol( void ) { return have_n_mol; } @@ -61,7 +62,6 @@ class Globals{ (public) short int haveDielectric( void ) { return have_dielectric; } short int haveTempSet( void ) { return have_tempSet; } - /* other accessors */ Component** getComponents( void ) { return components; } @@ -81,6 +81,7 @@ class Globals{ (public) int n_components; double target_temp; char ensemble[100]; + char mixingRule[100]; double dt; double run_time; char initial_config[120]; @@ -95,7 +96,8 @@ class Globals{ (public) double rRF; double dielectric; int tempSet; - + int usePBC; + //required arguments short int have_force_field, have_n_components, have_target_temp; short int have_ensemble, have_dt, have_run_time; @@ -105,6 +107,8 @@ class Globals{ (public) short int have_density, have_box, have_box_x, have_box_y, have_box_z; short int have_sample_time, have_status_time, have_rrf, have_dielectric; short int have_tempSet, have_thermal_time; + + }; #endif