| 83 |
|
#define G_THERMALTIME 21 |
| 84 |
|
#define G_USEPBC 22 |
| 85 |
|
#define G_MIXINGRULE 23 |
| 86 |
< |
#define G_USERF 24 |
| 87 |
< |
#define G_TARGETPRESSURE 25 |
| 88 |
< |
#define G_TAUTHERMOSTAT 26 |
| 89 |
< |
#define G_TAUBAROSTAT 27 |
| 90 |
< |
#define G_ZCONSTIME 28 |
| 91 |
< |
#define G_NZCONSTRAINTS 29 |
| 92 |
< |
#define G_ZCONSTOL 30 |
| 93 |
< |
#define G_ZCONSFORCEPOLICY 31 |
| 94 |
< |
#define G_SEED 32 |
| 95 |
< |
#define G_RESETTIME 33 |
| 96 |
< |
#define G_USEINITTIME 34 |
| 97 |
< |
#define G_USEINIT_XS_STATE 35 |
| 98 |
< |
#define G_ORTHOBOXTOLERANCE 36 |
| 99 |
< |
#define G_MINIMIZER 37 |
| 100 |
< |
#define G_MIN_MAXITER 38 |
| 101 |
< |
#define G_MIN_WRITEFRQ 39 |
| 102 |
< |
#define G_MIN_STEPSIZE 40 |
| 103 |
< |
#define G_MIN_FTOL 41 |
| 104 |
< |
#define G_MIN_GTOL 42 |
| 105 |
< |
#define G_MIN_LSTOL 43 |
| 106 |
< |
#define G_MIN_LSMAXITER 44 |
| 107 |
< |
#define G_ZCONSGAP 45 |
| 108 |
< |
#define G_ZCONSFIXTIME 46 |
| 109 |
< |
#define G_ZCONSUSINGSMD 47 |
| 110 |
< |
#define G_USE_SOLID_THERM_INT 48 |
| 111 |
< |
#define G_USE_LIQUID_THERM_INT 49 |
| 112 |
< |
#define G_THERM_INT_LAMBDA 50 |
| 113 |
< |
#define G_THERM_INT_K 51 |
| 114 |
< |
#define G_FORCEFIELD_VARIANT 52 |
| 115 |
< |
#define G_FORCEFIELD_FILENAME 53 |
| 116 |
< |
#define G_THERM_INT_DIST_SPRING 54 |
| 117 |
< |
#define G_THERM_INT_THETA_SPRING 55 |
| 118 |
< |
#define G_THERM_INT_OMEGA_SPRING 56 |
| 86 |
> |
#define G_TARGETPRESSURE 24 |
| 87 |
> |
#define G_TAUTHERMOSTAT 25 |
| 88 |
> |
#define G_TAUBAROSTAT 26 |
| 89 |
> |
#define G_ZCONSTIME 27 |
| 90 |
> |
#define G_NZCONSTRAINTS 28 |
| 91 |
> |
#define G_ZCONSTOL 29 |
| 92 |
> |
#define G_ZCONSFORCEPOLICY 30 |
| 93 |
> |
#define G_SEED 31 |
| 94 |
> |
#define G_RESETTIME 32 |
| 95 |
> |
#define G_USEINITTIME 33 |
| 96 |
> |
#define G_USEINIT_XS_STATE 34 |
| 97 |
> |
#define G_ORTHOBOXTOLERANCE 35 |
| 98 |
> |
#define G_MINIMIZER 36 |
| 99 |
> |
#define G_MIN_MAXITER 37 |
| 100 |
> |
#define G_MIN_WRITEFRQ 38 |
| 101 |
> |
#define G_MIN_STEPSIZE 39 |
| 102 |
> |
#define G_MIN_FTOL 40 |
| 103 |
> |
#define G_MIN_GTOL 41 |
| 104 |
> |
#define G_MIN_LSTOL 42 |
| 105 |
> |
#define G_MIN_LSMAXITER 43 |
| 106 |
> |
#define G_ZCONSGAP 44 |
| 107 |
> |
#define G_ZCONSFIXTIME 45 |
| 108 |
> |
#define G_ZCONSUSINGSMD 46 |
| 109 |
> |
#define G_USE_SOLID_THERM_INT 47 |
| 110 |
> |
#define G_USE_LIQUID_THERM_INT 48 |
| 111 |
> |
#define G_THERM_INT_LAMBDA 49 |
| 112 |
> |
#define G_THERM_INT_K 50 |
| 113 |
> |
#define G_FORCEFIELD_VARIANT 51 |
| 114 |
> |
#define G_FORCEFIELD_FILENAME 52 |
| 115 |
> |
#define G_THERM_INT_DIST_SPRING 53 |
| 116 |
> |
#define G_THERM_INT_THETA_SPRING 54 |
| 117 |
> |
#define G_THERM_INT_OMEGA_SPRING 55 |
| 118 |
> |
#define G_SURFACETENSION 56 |
| 119 |
> |
#define G_PRINTPRESSURETENSOR 57 |
| 120 |
> |
#define G_ELECTRO_SUM_METHOD 58 |
| 121 |
> |
#define G_DAMPING_ALPHA 59 |
| 122 |
> |
#define G_CUTOFFPOLICY 60 |
| 123 |
> |
#define G_COMPRESSDUMPFILE 61 |
| 124 |
> |
#define G_SKINTHICKNESS 62 |
| 125 |
|
|
| 126 |
|
Globals::Globals(){ |
| 127 |
|
initalize(); |
| 129 |
|
|
| 130 |
|
Globals::~Globals(){ |
| 131 |
|
int i; |
| 126 |
– |
|
| 127 |
– |
for( i=0; i<hash_size; i++ ){ |
| 128 |
– |
if( command_table[i] != NULL ) delete command_table[i]; |
| 129 |
– |
} |
| 130 |
– |
delete[] command_table; |
| 131 |
– |
|
| 132 |
|
if( components != NULL ){ |
| 133 |
|
for( i=0; i<n_components; i++ ) delete components[i]; |
| 134 |
|
delete[] components; |
| 138 |
|
void Globals::initalize(){ |
| 139 |
|
int i; |
| 140 |
|
|
| 141 |
– |
hash_size = 23; |
| 142 |
– |
hash_shift = 4; |
| 143 |
– |
|
| 141 |
|
components = NULL; |
| 142 |
|
|
| 143 |
< |
command_table = new LinkedCommand*[hash_size]; |
| 144 |
< |
for( i=0; i<hash_size; i++ ) command_table[i] = NULL; |
| 145 |
< |
|
| 146 |
< |
addHash( "forceField", G_FORCEFIELD ); |
| 147 |
< |
addHash( "nComponents", G_NCOMPONENTS ); |
| 148 |
< |
addHash( "targetTemp", G_TARGETTEMP ); |
| 149 |
< |
addHash( "ensemble", G_ENSEMBLE ); |
| 150 |
< |
|
| 151 |
< |
addHash( "dt", G_DT ); |
| 152 |
< |
addHash( "runTime", G_RUNTIME ); |
| 153 |
< |
|
| 154 |
< |
addHash( "initialConfig", G_INITIALCONFIG ); |
| 155 |
< |
addHash( "finalConfig", G_FINALCONFIG ); |
| 156 |
< |
addHash( "nMol", G_NMOL ); |
| 157 |
< |
addHash( "density", G_DENSITY ); |
| 158 |
< |
addHash( "box", G_BOX ); |
| 159 |
< |
addHash( "boxX", G_BOXX ); |
| 160 |
< |
addHash( "boxY", G_BOXY ); |
| 161 |
< |
addHash( "boxZ", G_BOXZ ); |
| 162 |
< |
addHash( "sampleTime", G_SAMPLETIME ); |
| 163 |
< |
addHash( "resetTime", G_RESETTIME ); |
| 164 |
< |
addHash( "statusTime", G_STATUSTIME ); |
| 165 |
< |
addHash( "cutoffRadius", G_RCUT ); |
| 166 |
< |
addHash( "switchingRadius", G_RSW ); |
| 167 |
< |
addHash( "dielectric", G_DIELECTRIC ); |
| 168 |
< |
addHash( "tempSet", G_TEMPSET ); |
| 169 |
< |
addHash( "thermalTime", G_THERMALTIME ); |
| 170 |
< |
addHash( "mixingRule", G_MIXINGRULE); |
| 171 |
< |
addHash( "usePeriodicBoundaryConditions", G_USEPBC); |
| 172 |
< |
addHash( "useReactionField", G_USERF ); |
| 173 |
< |
addHash( "targetPressure", G_TARGETPRESSURE); |
| 174 |
< |
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
| 175 |
< |
addHash( "tauBarostat", G_TAUBAROSTAT); |
| 176 |
< |
addHash( "zconsTime", G_ZCONSTIME); |
| 177 |
< |
addHash( "nZconstraints", G_NZCONSTRAINTS); |
| 178 |
< |
addHash( "zconsTol", G_ZCONSTOL); |
| 179 |
< |
addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
| 180 |
< |
addHash( "seed", G_SEED); |
| 181 |
< |
addHash( "useInitialTime", G_USEINITTIME); |
| 182 |
< |
addHash( "useInitialExtendedSystemState", G_USEINIT_XS_STATE); |
| 183 |
< |
addHash( "orthoBoxTolerance", G_ORTHOBOXTOLERANCE); |
| 184 |
< |
addHash( "minimizer", G_MINIMIZER); |
| 185 |
< |
addHash( "minimizerMaxIter", G_MIN_MAXITER); |
| 186 |
< |
addHash( "minimizerWriteFrq", G_MIN_WRITEFRQ); |
| 187 |
< |
addHash( "minimizerStepSize", G_MIN_STEPSIZE); |
| 188 |
< |
addHash( "minimizerFTol", G_MIN_FTOL); |
| 189 |
< |
addHash( "minimizerGTol", G_MIN_GTOL); |
| 190 |
< |
addHash( "minimizerLSTol", G_MIN_LSTOL); |
| 191 |
< |
addHash( "minimizerLSMaxIter", G_MIN_LSMAXITER); |
| 192 |
< |
addHash( "zconsGap", G_ZCONSGAP); |
| 193 |
< |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
| 194 |
< |
addHash( "zconsUsingSMD", G_ZCONSUSINGSMD); |
| 195 |
< |
addHash( "useSolidThermInt", G_USE_SOLID_THERM_INT); |
| 196 |
< |
addHash( "useLiquidThermInt", G_USE_LIQUID_THERM_INT); |
| 197 |
< |
addHash( "thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA); |
| 198 |
< |
addHash( "thermodynamicIntegrationK", G_THERM_INT_K); |
| 199 |
< |
addHash( "forceFieldVariant", G_FORCEFIELD_VARIANT); |
| 200 |
< |
addHash( "forceFieldFileName", G_FORCEFIELD_FILENAME); |
| 201 |
< |
addHash( "thermIntDistSpringConst", G_THERM_INT_DIST_SPRING); |
| 202 |
< |
addHash( "thermIntThetaSpringConst", G_THERM_INT_THETA_SPRING); |
| 203 |
< |
addHash( "thermIntOmegaSpringConst", G_THERM_INT_OMEGA_SPRING); |
| 143 |
> |
command_table.insert(CommandMapType::value_type("forceField", G_FORCEFIELD)); |
| 144 |
> |
command_table.insert(CommandMapType::value_type("nComponents", G_NCOMPONENTS)); |
| 145 |
> |
command_table.insert(CommandMapType::value_type("targetTemp", G_TARGETTEMP)); |
| 146 |
> |
command_table.insert(CommandMapType::value_type("ensemble", G_ENSEMBLE)); |
| 147 |
> |
command_table.insert(CommandMapType::value_type("dt", G_DT)); |
| 148 |
> |
command_table.insert(CommandMapType::value_type("runTime", G_RUNTIME)); |
| 149 |
> |
command_table.insert(CommandMapType::value_type("initialConfig", G_INITIALCONFIG)); |
| 150 |
> |
command_table.insert(CommandMapType::value_type("finalConfig", G_FINALCONFIG)); |
| 151 |
> |
command_table.insert(CommandMapType::value_type("nMol", G_NMOL)); |
| 152 |
> |
command_table.insert(CommandMapType::value_type("density", G_DENSITY)); |
| 153 |
> |
command_table.insert(CommandMapType::value_type("box", G_BOX)); |
| 154 |
> |
command_table.insert(CommandMapType::value_type("boxX", G_BOXX)); |
| 155 |
> |
command_table.insert(CommandMapType::value_type("boxY", G_BOXY)); |
| 156 |
> |
command_table.insert(CommandMapType::value_type("boxZ", G_BOXZ)); |
| 157 |
> |
command_table.insert(CommandMapType::value_type("sampleTime", G_SAMPLETIME)); |
| 158 |
> |
command_table.insert(CommandMapType::value_type("resetTime", G_RESETTIME)); |
| 159 |
> |
command_table.insert(CommandMapType::value_type("statusTime", G_STATUSTIME)); |
| 160 |
> |
command_table.insert(CommandMapType::value_type("cutoffRadius", G_RCUT)); |
| 161 |
> |
command_table.insert(CommandMapType::value_type("switchingRadius", G_RSW)); |
| 162 |
> |
command_table.insert(CommandMapType::value_type("dielectric", G_DIELECTRIC)); |
| 163 |
> |
command_table.insert(CommandMapType::value_type("tempSet", G_TEMPSET)); |
| 164 |
> |
command_table.insert(CommandMapType::value_type("thermalTime", G_THERMALTIME)); |
| 165 |
> |
command_table.insert(CommandMapType::value_type("mixingRule", G_MIXINGRULE)); |
| 166 |
> |
command_table.insert(CommandMapType::value_type("usePeriodicBoundaryConditions", G_USEPBC)); |
| 167 |
> |
command_table.insert(CommandMapType::value_type("targetPressure", G_TARGETPRESSURE)); |
| 168 |
> |
command_table.insert(CommandMapType::value_type("tauThermostat", G_TAUTHERMOSTAT)); |
| 169 |
> |
command_table.insert(CommandMapType::value_type("tauBarostat", G_TAUBAROSTAT)); |
| 170 |
> |
command_table.insert(CommandMapType::value_type("zconsTime", G_ZCONSTIME)); |
| 171 |
> |
command_table.insert(CommandMapType::value_type("nZconstraints", G_NZCONSTRAINTS)); |
| 172 |
> |
command_table.insert(CommandMapType::value_type("zconsTol", G_ZCONSTOL)); |
| 173 |
> |
command_table.insert(CommandMapType::value_type("zconsForcePolicy", G_ZCONSFORCEPOLICY)); |
| 174 |
> |
command_table.insert(CommandMapType::value_type("seed", G_SEED)); |
| 175 |
> |
command_table.insert(CommandMapType::value_type("useInitialTime", G_USEINITTIME)); |
| 176 |
> |
command_table.insert(CommandMapType::value_type("useInitialExtendedSystemState", G_USEINIT_XS_STATE)); |
| 177 |
> |
command_table.insert(CommandMapType::value_type("orthoBoxTolerance", G_ORTHOBOXTOLERANCE)); |
| 178 |
> |
command_table.insert(CommandMapType::value_type("minimizer", G_MINIMIZER)); |
| 179 |
> |
command_table.insert(CommandMapType::value_type("minimizerMaxIter", G_MIN_MAXITER)); |
| 180 |
> |
command_table.insert(CommandMapType::value_type("minimizerWriteFrq", G_MIN_WRITEFRQ)); |
| 181 |
> |
command_table.insert(CommandMapType::value_type("minimizerStepSize", G_MIN_STEPSIZE)); |
| 182 |
> |
command_table.insert(CommandMapType::value_type("minimizerFTol", G_MIN_FTOL)); |
| 183 |
> |
command_table.insert(CommandMapType::value_type("minimizerGTol", G_MIN_GTOL)); |
| 184 |
> |
command_table.insert(CommandMapType::value_type("minimizerLSTol", G_MIN_LSTOL)); |
| 185 |
> |
command_table.insert(CommandMapType::value_type("minimizerLSMaxIter", G_MIN_LSMAXITER)); |
| 186 |
> |
command_table.insert(CommandMapType::value_type("zconsGap", G_ZCONSGAP)); |
| 187 |
> |
command_table.insert(CommandMapType::value_type("zconsFixtime", G_ZCONSFIXTIME)); |
| 188 |
> |
command_table.insert(CommandMapType::value_type("zconsUsingSMD", G_ZCONSUSINGSMD)); |
| 189 |
> |
command_table.insert(CommandMapType::value_type("useSolidThermInt", G_USE_SOLID_THERM_INT)); |
| 190 |
> |
command_table.insert(CommandMapType::value_type("useLiquidThermInt", G_USE_LIQUID_THERM_INT)); |
| 191 |
> |
command_table.insert(CommandMapType::value_type("thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA)); |
| 192 |
> |
command_table.insert(CommandMapType::value_type("thermodynamicIntegrationK", G_THERM_INT_K)); |
| 193 |
> |
command_table.insert(CommandMapType::value_type("forceFieldVariant", G_FORCEFIELD_VARIANT)); |
| 194 |
> |
command_table.insert(CommandMapType::value_type("forceFieldFileName", G_FORCEFIELD_FILENAME)); |
| 195 |
> |
command_table.insert(CommandMapType::value_type("thermIntDistSpringConst", G_THERM_INT_DIST_SPRING)); |
| 196 |
> |
command_table.insert(CommandMapType::value_type("thermIntThetaSpringConst", G_THERM_INT_THETA_SPRING)); |
| 197 |
> |
command_table.insert(CommandMapType::value_type("thermIntOmegaSpringConst", G_THERM_INT_OMEGA_SPRING)); |
| 198 |
> |
command_table.insert(CommandMapType::value_type("surfaceTension", G_SURFACETENSION)); |
| 199 |
> |
command_table.insert(CommandMapType::value_type("printPressureTensor", G_PRINTPRESSURETENSOR)); |
| 200 |
> |
command_table.insert(CommandMapType::value_type("electrostaticSummationMethod", G_ELECTRO_SUM_METHOD)); |
| 201 |
> |
command_table.insert(CommandMapType::value_type("dampingAlpha", G_DAMPING_ALPHA)); |
| 202 |
> |
command_table.insert(CommandMapType::value_type("cutoffPolicy", G_CUTOFFPOLICY)); |
| 203 |
> |
command_table.insert(CommandMapType::value_type("compressDumpFile", G_COMPRESSDUMPFILE)); |
| 204 |
> |
command_table.insert(CommandMapType::value_type("skinThickness", G_SKINTHICKNESS)); |
| 205 |
|
|
| 206 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
| 207 |
|
usePBC = 1; //default periodic boundry conditions to on |
| 210 |
– |
useRF = 0; |
| 208 |
|
useInitTime = 0; // default to pull init time from the init file |
| 209 |
|
useInitXSstate = 0; // default to pull the extended state from the init file |
| 210 |
|
orthoBoxTolerance = 1E-6; |
| 211 |
|
useSolidThermInt = 0; // default solid-state thermodynamic integration to off |
| 212 |
|
useLiquidThermInt = 0; // default liquid thermodynamic integration to off |
| 213 |
+ |
dampingAlpha = 1.5; // default damping parameter in Wolf Electrostatics |
| 214 |
+ |
compressDumpFile = 0; // default compressDumpFile set to off |
| 215 |
+ |
skinThickness = 1.0; // default neighborlist skin thickness is one angstrom |
| 216 |
|
|
| 217 |
|
have_force_field = 0; |
| 218 |
|
have_n_components = 0; |
| 221 |
|
have_dt = 0; |
| 222 |
|
have_run_time = 0; |
| 223 |
|
|
| 224 |
+ |
have_skin_thickness = 0; |
| 225 |
|
have_initial_config = 0; |
| 226 |
|
have_final_config = 0; |
| 227 |
|
have_n_mol = 0; |
| 266 |
|
have_dist_spring_constant = 0; |
| 267 |
|
have_theta_spring_constant = 0; |
| 268 |
|
have_omega_spring_constant = 0; |
| 269 |
+ |
have_surface_tension = 0; |
| 270 |
+ |
have_print_pressure_tensor = 0; |
| 271 |
+ |
have_electro_sum_method = 0; |
| 272 |
+ |
have_damping_alpha = 0; |
| 273 |
+ |
have_cutoff_policy = 0; |
| 274 |
+ |
have_compress_dumpfile = 0; |
| 275 |
|
} |
| 276 |
|
|
| 277 |
|
int Globals::newComponent( event* the_event ){ |
| 419 |
|
char err[300]; |
| 420 |
|
|
| 421 |
|
token = 0; |
| 422 |
< |
key = hash( lhs ); |
| 423 |
< |
if( command_table[key] != NULL ) token = command_table[key]->match( lhs ); |
| 422 |
> |
|
| 423 |
> |
CommandMapType::iterator iter; |
| 424 |
> |
std::string keyword(lhs); |
| 425 |
> |
iter = command_table.find(keyword); |
| 426 |
> |
if (iter != command_table.end()) { |
| 427 |
> |
token = iter->second; |
| 428 |
> |
} |
| 429 |
|
|
| 430 |
|
if( token ){ |
| 431 |
|
|
| 993 |
|
default: |
| 994 |
|
the_event->err_msg = |
| 995 |
|
strdup( "Error in parsing meta-data file!\n\tswitchingRadius unrecognized.\n" ); |
| 996 |
+ |
return 0; |
| 997 |
+ |
break; |
| 998 |
+ |
} |
| 999 |
+ |
break; |
| 1000 |
+ |
|
| 1001 |
+ |
|
| 1002 |
+ |
case G_SKINTHICKNESS: |
| 1003 |
+ |
switch( the_type ){ |
| 1004 |
+ |
|
| 1005 |
+ |
case STRING: |
| 1006 |
+ |
the_event->err_msg = |
| 1007 |
+ |
strdup( "Error in parsing meta-data file!\n\tskinThickness is not a double or int.\n" ); |
| 1008 |
|
return 0; |
| 1009 |
|
break; |
| 1010 |
+ |
|
| 1011 |
+ |
case DOUBLE: |
| 1012 |
+ |
skinThickness = the_event->evt.asmt.rhs.dval; |
| 1013 |
+ |
have_skin_thickness = 1; |
| 1014 |
+ |
return 1; |
| 1015 |
+ |
break; |
| 1016 |
+ |
|
| 1017 |
+ |
case INT: |
| 1018 |
+ |
skinThickness = (double)the_event->evt.asmt.rhs.ival; |
| 1019 |
+ |
have_skin_thickness = 1; |
| 1020 |
+ |
return 1; |
| 1021 |
+ |
break; |
| 1022 |
+ |
|
| 1023 |
+ |
default: |
| 1024 |
+ |
the_event->err_msg = |
| 1025 |
+ |
strdup( "Error in parsing meta-data file!\n\tskinThickness unrecognized.\n" ); |
| 1026 |
+ |
return 0; |
| 1027 |
+ |
break; |
| 1028 |
|
} |
| 1029 |
|
break; |
| 1030 |
+ |
|
| 1031 |
+ |
|
| 1032 |
|
|
| 1033 |
|
case G_DIELECTRIC: |
| 1034 |
|
switch( the_type ){ |
| 1131 |
|
|
| 1132 |
|
the_event->err_msg = |
| 1133 |
|
strdup( "Error in parsing meta-data file!\n\tusePeriodicBoundaryConditions was not \"true\" or \"false\".\n" ); |
| 1090 |
– |
return 0; |
| 1091 |
– |
break; |
| 1092 |
– |
|
| 1093 |
– |
case G_USERF: |
| 1094 |
– |
if( the_type == STRING ){ |
| 1095 |
– |
|
| 1096 |
– |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useRF = 1; |
| 1097 |
– |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0; |
| 1098 |
– |
else{ |
| 1099 |
– |
the_event->err_msg = |
| 1100 |
– |
strdup( "Error in parsing meta-data file!\n\tuseReactionField was not \"true\" or \"false\".\n" ); |
| 1101 |
– |
return 0; |
| 1102 |
– |
} |
| 1103 |
– |
return 1; |
| 1104 |
– |
} |
| 1105 |
– |
|
| 1106 |
– |
the_event->err_msg = |
| 1107 |
– |
strdup( "Error in parsing meta-data file!\n\tuseReactionField was not \"true\" or \"false\".\n" ); |
| 1134 |
|
return 0; |
| 1135 |
|
break; |
| 1136 |
|
|
| 1283 |
|
switch( the_type ){ |
| 1284 |
|
|
| 1285 |
|
case STRING: |
| 1286 |
< |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
| 1287 |
< |
|
| 1288 |
< |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
| 1289 |
< |
{ |
| 1290 |
< |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
| 1291 |
< |
} |
| 1286 |
> |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
| 1287 |
> |
|
| 1288 |
> |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
| 1289 |
> |
{ |
| 1290 |
> |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
| 1291 |
> |
} |
| 1292 |
|
have_zcons_force_policy = 1; |
| 1293 |
< |
return 1; |
| 1293 |
> |
return 1; |
| 1294 |
|
break; |
| 1295 |
|
|
| 1296 |
|
case DOUBLE: |
| 1641 |
|
switch( the_type ){ |
| 1642 |
|
|
| 1643 |
|
case STRING: |
| 1644 |
< |
the_event->err_msg = |
| 1644 |
> |
the_event->err_msg = |
| 1645 |
|
strdup( "Error in parsing meta-data file!\n\tseed is not a string.\n" ); |
| 1646 |
|
return 0; |
| 1647 |
< |
return 0; |
| 1647 |
> |
return 0; |
| 1648 |
|
break; |
| 1649 |
|
|
| 1650 |
|
case DOUBLE: |
| 1651 |
< |
have_seed = 1; |
| 1652 |
< |
seed = (int)the_event->evt.asmt.rhs.dval; |
| 1651 |
> |
have_seed = 1; |
| 1652 |
> |
seed = (int)the_event->evt.asmt.rhs.dval; |
| 1653 |
|
return 1; |
| 1654 |
|
break; |
| 1655 |
|
|
| 1656 |
|
case INT: |
| 1657 |
< |
have_seed = 1; |
| 1658 |
< |
seed = the_event->evt.asmt.rhs.ival ; |
| 1657 |
> |
have_seed = 1; |
| 1658 |
> |
seed = the_event->evt.asmt.rhs.ival ; |
| 1659 |
|
return 1; |
| 1660 |
|
break; |
| 1661 |
|
|
| 1844 |
|
} |
| 1845 |
|
break; |
| 1846 |
|
|
| 1847 |
< |
case G_THERM_INT_OMEGA_SPRING: |
| 1847 |
> |
case G_THERM_INT_OMEGA_SPRING: |
| 1848 |
|
switch( the_type ){ |
| 1849 |
|
|
| 1850 |
|
case STRING: |
| 1868 |
|
default: |
| 1869 |
|
the_event->err_msg = |
| 1870 |
|
strdup( "Error in parsing meta-data file!\n\tthermIntOmegaSpringConst unrecognized.\n" ); |
| 1871 |
+ |
return 0; |
| 1872 |
+ |
break; |
| 1873 |
+ |
} |
| 1874 |
+ |
break; |
| 1875 |
+ |
|
| 1876 |
+ |
case G_SURFACETENSION: |
| 1877 |
+ |
switch( the_type ){ |
| 1878 |
+ |
|
| 1879 |
+ |
case STRING: |
| 1880 |
+ |
the_event->err_msg = |
| 1881 |
+ |
strdup( "Error in parsing meta-data file!\n\tsurfaceTension is not a double or int.\n" ); |
| 1882 |
+ |
return 1; |
| 1883 |
+ |
break; |
| 1884 |
+ |
|
| 1885 |
+ |
case DOUBLE: |
| 1886 |
+ |
surface_tension= the_event->evt.asmt.rhs.dval; |
| 1887 |
+ |
have_surface_tension = 1; |
| 1888 |
+ |
return 1; |
| 1889 |
+ |
break; |
| 1890 |
+ |
|
| 1891 |
+ |
case INT: |
| 1892 |
+ |
surface_tension = (double)the_event->evt.asmt.rhs.dval; |
| 1893 |
+ |
have_surface_tension = 1; |
| 1894 |
+ |
return 1; |
| 1895 |
+ |
break; |
| 1896 |
+ |
|
| 1897 |
+ |
default: |
| 1898 |
+ |
the_event->err_msg = |
| 1899 |
+ |
strdup( "Error in parsing meta-data file!\n\tsurfaceTension unrecognized.\n" ); |
| 1900 |
+ |
return 0; |
| 1901 |
+ |
break; |
| 1902 |
+ |
} |
| 1903 |
+ |
break; |
| 1904 |
+ |
|
| 1905 |
+ |
case G_PRINTPRESSURETENSOR: |
| 1906 |
+ |
if( the_type == STRING ){ |
| 1907 |
+ |
|
| 1908 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) { |
| 1909 |
+ |
have_print_pressure_tensor= 1; |
| 1910 |
+ |
print_pressure_tensor = 1; |
| 1911 |
+ |
} else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) { |
| 1912 |
+ |
have_print_pressure_tensor= 1; |
| 1913 |
+ |
print_pressure_tensor = 0; |
| 1914 |
+ |
} else{ |
| 1915 |
+ |
the_event->err_msg = |
| 1916 |
+ |
strdup( "Error in parsing meta-data file!\n\tprintPressureTensor was not \"true\" or \"false\".\n" ); |
| 1917 |
+ |
return 0; |
| 1918 |
+ |
} |
| 1919 |
+ |
return 1; |
| 1920 |
+ |
} |
| 1921 |
+ |
|
| 1922 |
+ |
the_event->err_msg = |
| 1923 |
+ |
strdup( "Error in parsing meta-data file!\n\tprintPressureTensor was not \"true\" or \"false\".\n" ); |
| 1924 |
+ |
return 0; |
| 1925 |
+ |
break; |
| 1926 |
+ |
|
| 1927 |
+ |
case G_COMPRESSDUMPFILE: |
| 1928 |
+ |
if( the_type == STRING ){ |
| 1929 |
+ |
|
| 1930 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) { |
| 1931 |
+ |
have_compress_dumpfile = 1; |
| 1932 |
+ |
compressDumpFile = 1; |
| 1933 |
+ |
} else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) { |
| 1934 |
+ |
have_compress_dumpfile= 1; |
| 1935 |
+ |
compressDumpFile = 0; |
| 1936 |
+ |
} else{ |
| 1937 |
+ |
the_event->err_msg = |
| 1938 |
+ |
strdup( "Error in parsing meta-data file!\n\tcompressDumpFile was not \"true\" or \"false\".\n" ); |
| 1939 |
+ |
return 0; |
| 1940 |
+ |
} |
| 1941 |
+ |
return 1; |
| 1942 |
+ |
} |
| 1943 |
+ |
|
| 1944 |
+ |
the_event->err_msg = |
| 1945 |
+ |
strdup( "Error in parsing meta-data file!\n\tcompressDumpFile was not \"true\" or \"false\".\n" ); |
| 1946 |
+ |
return 0; |
| 1947 |
+ |
break; |
| 1948 |
+ |
|
| 1949 |
+ |
|
| 1950 |
+ |
case G_ELECTRO_SUM_METHOD: |
| 1951 |
+ |
switch( the_type ){ |
| 1952 |
+ |
|
| 1953 |
+ |
case STRING: |
| 1954 |
+ |
strcpy(electrostaticSummationMethod, the_event->evt.asmt.rhs.sval); |
| 1955 |
+ |
|
| 1956 |
+ |
for(int i = 0; electrostaticSummationMethod[i] != '\0'; i++) |
| 1957 |
+ |
{ |
| 1958 |
+ |
electrostaticSummationMethod[i] = toupper(electrostaticSummationMethod[i]); |
| 1959 |
+ |
} |
| 1960 |
+ |
have_electro_sum_method = 1; |
| 1961 |
+ |
return 1; |
| 1962 |
+ |
break; |
| 1963 |
+ |
|
| 1964 |
+ |
case DOUBLE: |
| 1965 |
+ |
the_event->err_msg = |
| 1966 |
+ |
strdup( "Error in parsing meta-data file!\n\telectrostaticSummationMethod should be a string!\n" ); |
| 1967 |
+ |
return 0; |
| 1968 |
+ |
break; |
| 1969 |
+ |
|
| 1970 |
+ |
case INT: |
| 1971 |
+ |
the_event->err_msg = |
| 1972 |
+ |
strdup( "Error in parsing meta-data file!\n\telectrostaticSummationMethod should be a string!\n" ); |
| 1973 |
+ |
return 0; |
| 1974 |
+ |
break; |
| 1975 |
+ |
|
| 1976 |
+ |
default: |
| 1977 |
+ |
the_event->err_msg = |
| 1978 |
+ |
strdup( "Error in parsing meta-data file!\n\telectrostaticSummationMethod unrecognized.\n" ); |
| 1979 |
+ |
return 0; |
| 1980 |
+ |
break; |
| 1981 |
+ |
} |
| 1982 |
+ |
break; |
| 1983 |
+ |
|
| 1984 |
+ |
case G_DAMPING_ALPHA: |
| 1985 |
+ |
switch( the_type ){ |
| 1986 |
+ |
|
| 1987 |
+ |
case STRING: |
| 1988 |
+ |
the_event->err_msg = |
| 1989 |
+ |
strdup( "Error in parsing meta-data file!\n\tdampingAlpha is not a double or int.\n" ); |
| 1990 |
+ |
return 1; |
| 1991 |
+ |
break; |
| 1992 |
+ |
|
| 1993 |
+ |
case DOUBLE: |
| 1994 |
+ |
dampingAlpha = the_event->evt.asmt.rhs.dval; |
| 1995 |
+ |
have_damping_alpha = 1; |
| 1996 |
+ |
return 1; |
| 1997 |
+ |
break; |
| 1998 |
+ |
|
| 1999 |
+ |
case INT: |
| 2000 |
+ |
dampingAlpha = (double)the_event->evt.asmt.rhs.dval; |
| 2001 |
+ |
have_damping_alpha = 1; |
| 2002 |
+ |
return 1; |
| 2003 |
+ |
break; |
| 2004 |
+ |
|
| 2005 |
+ |
default: |
| 2006 |
+ |
the_event->err_msg = |
| 2007 |
+ |
strdup( "Error in parsing meta-data file!\n\tdampingAlpha unrecognized.\n" ); |
| 2008 |
|
return 0; |
| 2009 |
|
break; |
| 2010 |
|
} |
| 2011 |
|
break; |
| 2012 |
+ |
|
| 2013 |
+ |
case G_CUTOFFPOLICY: |
| 2014 |
+ |
switch( the_type ){ |
| 2015 |
+ |
|
| 2016 |
+ |
case STRING: |
| 2017 |
+ |
strcpy(cutoffPolicy, the_event->evt.asmt.rhs.sval); |
| 2018 |
+ |
|
| 2019 |
+ |
for(int i = 0; cutoffPolicy[i] != '\0'; i++) |
| 2020 |
+ |
{ |
| 2021 |
+ |
cutoffPolicy[i] = toupper(cutoffPolicy[i]); |
| 2022 |
+ |
} |
| 2023 |
+ |
have_cutoff_policy = 1; |
| 2024 |
+ |
return 1; |
| 2025 |
+ |
break; |
| 2026 |
+ |
|
| 2027 |
+ |
case DOUBLE: |
| 2028 |
+ |
the_event->err_msg = |
| 2029 |
+ |
strdup( "Error in parsing meta-data file!\n\tcutoffPolicy should be a string!\n" ); |
| 2030 |
+ |
return 0; |
| 2031 |
+ |
break; |
| 2032 |
+ |
|
| 2033 |
+ |
case INT: |
| 2034 |
+ |
the_event->err_msg = |
| 2035 |
+ |
strdup( "Error in parsing meta-data file!\n\tcutoffPolicy should be a string!\n" ); |
| 2036 |
+ |
return 0; |
| 2037 |
+ |
break; |
| 2038 |
+ |
|
| 2039 |
+ |
default: |
| 2040 |
+ |
the_event->err_msg = |
| 2041 |
+ |
strdup( "Error in parsing meta-data file!\n\tcutoffPolicy unrecognized.\n" ); |
| 2042 |
+ |
return 0; |
| 2043 |
+ |
break; |
| 2044 |
+ |
} |
| 2045 |
+ |
break; |
| 2046 |
+ |
|
| 2047 |
+ |
|
| 2048 |
|
// add more token cases here. |
| 2049 |
|
} |
| 2050 |
|
} |
| 2136 |
|
return 1; |
| 2137 |
|
} |
| 2138 |
|
|
| 1940 |
– |
int Globals::hash( char* text ){ |
| 1941 |
– |
|
| 1942 |
– |
register unsigned short int i = 0; // loop counter |
| 1943 |
– |
int key = 0; // the hash key |
| 1944 |
– |
|
| 1945 |
– |
while( text[i] != '\0' ){ |
| 1946 |
– |
|
| 1947 |
– |
key = ( ( key << hash_shift ) + text[i] ) % hash_size; |
| 1948 |
– |
|
| 1949 |
– |
i++; |
| 1950 |
– |
} |
| 1951 |
– |
|
| 1952 |
– |
if( key < 0 ){ |
| 1953 |
– |
|
| 1954 |
– |
// if the key is less than zero, we've had an overflow error |
| 1955 |
– |
|
| 1956 |
– |
sprintf( painCave.errMsg, |
| 1957 |
– |
"There has been an overflow error in the Globals' hash key."); |
| 1958 |
– |
painCave.isFatal = 1; |
| 1959 |
– |
simError(); |
| 1960 |
– |
#ifdef IS_MPI |
| 1961 |
– |
if( painCave.isEventLoop ){ |
| 1962 |
– |
if( worldRank == 0 ) mpiInterfaceExit(); |
| 1963 |
– |
} |
| 1964 |
– |
#endif //is_mpi |
| 1965 |
– |
} |
| 1966 |
– |
|
| 1967 |
– |
return key; |
| 1968 |
– |
} |
| 1969 |
– |
|
| 1970 |
– |
void Globals::addHash( char* text, int token ){ |
| 1971 |
– |
|
| 1972 |
– |
int key; |
| 1973 |
– |
LinkedCommand* the_element; |
| 1974 |
– |
|
| 1975 |
– |
the_element = new LinkedCommand; |
| 1976 |
– |
the_element->setValues( text, token ); |
| 1977 |
– |
|
| 1978 |
– |
key = hash( text ); |
| 1979 |
– |
|
| 1980 |
– |
the_element->setNext( command_table[key] ); |
| 1981 |
– |
command_table[key] = the_element; |
| 1982 |
– |
} |