| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 51 |  |  | 
| 52 |  | #include "io/BASS_interface.h" | 
| 53 |  | #include "types/Component.hpp" | 
| 54 | – | #include "io/LinkedCommand.hpp" | 
| 54 |  | #include "types/MakeStamps.hpp" | 
| 55 |  | #include "types/ZconStamp.hpp" | 
| 56 |  |  | 
| 63 |  | */ | 
| 64 |  | class Globals{ | 
| 65 |  |  | 
| 66 | < | public: | 
| 66 | > | public: | 
| 67 |  |  | 
| 68 |  | Globals(); | 
| 69 |  | ~Globals(); | 
| 139 |  | double getDistSpringConst(void)   { return therm_int_dist_spring; } | 
| 140 |  | double getThetaSpringConst(void)  { return therm_int_theta_spring; } | 
| 141 |  | double getOmegaSpringConst(void)  { return therm_int_omega_spring; } | 
| 142 | + | double getSurfaceTension(void) {return surface_tension; } | 
| 143 | + | bool getPrintPressureTensor(void) {return print_pressure_tensor;} | 
| 144 | + |  | 
| 145 |  | short int haveDt( void )            { return have_dt; } | 
| 146 |  | short int haveRunTime( void )       { return have_run_time; } | 
| 147 |  | short int haveEnsemble( void )      { return have_ensemble; } | 
| 189 |  | short int haveDistSpringConst(void) { return have_dist_spring_constant; } | 
| 190 |  | short int haveThetaSpringConst(void) { return have_theta_spring_constant; } | 
| 191 |  | short int haveOmegaSpringConst(void) { return have_omega_spring_constant; } | 
| 192 | + | short int haveSurfaceTension(void) { return have_surface_tension; } | 
| 193 | + | short int havePrintPressureTensor(void) {return have_print_pressure_tensor;} | 
| 194 | + |  | 
| 195 |  | /* other accessors */ | 
| 196 |  | Component** getComponents( void )   { return components; } | 
| 197 |  | ZconStamp** getZconStamp( void )    { return zConstraints; } | 
| 198 |  |  | 
| 199 | < | private: | 
| 199 | > | private: | 
| 200 |  |  | 
| 201 |  |  | 
| 202 |  | typedef std::map<std::string, int> CommandMapType; | 
| 267 |  | double therm_int_dist_spring; | 
| 268 |  | double therm_int_theta_spring; | 
| 269 |  | double therm_int_omega_spring; | 
| 270 | + | double surface_tension; | 
| 271 | + | bool print_pressure_tensor; | 
| 272 | + |  | 
| 273 |  | //required arguments | 
| 274 |  | short int have_force_field, have_n_components, have_target_temp; | 
| 275 |  | short int have_target_pressure, have_ensemble, have_dt, have_run_time; | 
| 296 |  | short int have_dist_spring_constant; | 
| 297 |  | short int have_theta_spring_constant; | 
| 298 |  | short int have_omega_spring_constant; | 
| 299 | + | short int have_surface_tension; | 
| 300 | + | short int have_print_pressure_tensor; | 
| 301 |  | }; | 
| 302 |  |  | 
| 303 |  | #endif |