1 |
mmeineke |
377 |
#include <cstdlib> |
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#include <cstdio> |
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#include <cstring> |
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#include "Globals.hpp" |
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#include "simError.h" |
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#ifdef IS_MPI |
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#include "mpiBASS.h" |
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#endif // is_mpi |
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/* |
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* The following section lists all of the defined tokens for the |
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* gloabal assignment statements. All are prefixed with a G_ to avoid |
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* stepping on any previously defined enumerations. |
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* |
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* NOTE: tokens start at 1, 0 is a resrved token number |
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*/ |
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//required parameters |
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#define G_FORCEFIELD 1 |
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#define G_NCOMPONENTS 2 |
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#define G_TARGETTEMP 3 |
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#define G_ENSEMBLE 4 |
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#define G_DT 5 |
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#define G_RUNTIME 6 |
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//optional parameters |
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gezelter |
481 |
#define G_INITIALCONFIG 7 |
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#define G_FINALCONFIG 8 |
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#define G_NMOL 9 |
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#define G_DENSITY 10 |
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#define G_BOX 11 |
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#define G_BOXX 12 |
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#define G_BOXY 13 |
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#define G_BOXZ 14 |
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#define G_SAMPLETIME 15 |
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#define G_STATUSTIME 16 |
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#define G_ECR 17 |
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#define G_DIELECTRIC 18 |
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#define G_TEMPSET 19 |
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#define G_THERMALTIME 20 |
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#define G_USEPBC 21 |
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#define G_MIXINGRULE 22 |
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#define G_EST 23 |
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#define G_USERF 24 |
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gezelter |
465 |
#define G_TARGETPRESSURE 25 |
47 |
gezelter |
579 |
#define G_TAUTHERMOSTAT 26 |
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#define G_TAUBAROSTAT 27 |
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tim |
659 |
#define G_ZCONSTIME 28 |
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mmeineke |
675 |
#define G_NZCONSTRAINTS 29 |
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mmeineke |
745 |
#define G_ZCONSTOL 30 |
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tim |
699 |
#define G_ZCONSFORCEPOLICY 31 |
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mmeineke |
745 |
#define G_SEED 32 |
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#define G_RESETTIME 33 |
55 |
mmeineke |
377 |
|
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Globals::Globals(){ |
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int i; |
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components = NULL; |
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command_table = new LinkedCommand*[hash_size]; |
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for( i=0; i<hash_size; i++ ) command_table[i] = NULL; |
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addHash( "forceField", G_FORCEFIELD ); |
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addHash( "nComponents", G_NCOMPONENTS ); |
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addHash( "targetTemp", G_TARGETTEMP ); |
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addHash( "ensemble", G_ENSEMBLE ); |
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addHash( "dt", G_DT ); |
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addHash( "runTime", G_RUNTIME ); |
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addHash( "initialConfig", G_INITIALCONFIG ); |
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addHash( "finalConfig", G_FINALCONFIG ); |
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addHash( "nMol", G_NMOL ); |
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addHash( "density", G_DENSITY ); |
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addHash( "box", G_BOX ); |
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addHash( "boxX", G_BOXX ); |
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addHash( "boxY", G_BOXY ); |
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addHash( "boxZ", G_BOXZ ); |
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addHash( "sampleTime", G_SAMPLETIME ); |
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mmeineke |
745 |
addHash( "resetTime", G_RESETTIME ); |
83 |
mmeineke |
377 |
addHash( "statusTime", G_STATUSTIME ); |
84 |
gezelter |
394 |
addHash( "electrostaticCutoffRadius", G_ECR ); |
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mmeineke |
377 |
addHash( "dielectric", G_DIELECTRIC ); |
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addHash( "tempSet", G_TEMPSET ); |
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addHash( "thermalTime", G_THERMALTIME ); |
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addHash( "mixingRule", G_MIXINGRULE); |
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gezelter |
394 |
addHash( "usePeriodicBoundaryConditions", G_USEPBC); |
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addHash( "electrostaticSkinThickness", G_EST ); |
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addHash( "useReactionField", G_USERF ); |
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gezelter |
465 |
addHash( "targetPressure", G_TARGETPRESSURE); |
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gezelter |
481 |
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
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addHash( "tauBarostat", G_TAUBAROSTAT); |
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mmeineke |
675 |
addHash( "zconsTime", G_ZCONSTIME); |
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addHash( "nZconstraints", G_NZCONSTRAINTS); |
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mmeineke |
745 |
addHash( "zconsTol", G_ZCONSTOL); |
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addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
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addHash( "seed", G_SEED); |
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tim |
682 |
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tim |
699 |
|
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mmeineke |
377 |
// define some default values |
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strcpy( mixingRule,"standard"); //default mixing rules to standard. |
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usePBC = 1; //default periodic boundry conditions to on |
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gezelter |
394 |
useRF = 0; |
107 |
mmeineke |
377 |
|
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have_force_field = 0; |
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have_n_components = 0; |
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have_target_temp = 0; |
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have_ensemble = 0; |
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have_dt = 0; |
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have_run_time = 0; |
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have_initial_config = 0; |
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have_final_config = 0; |
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have_n_mol = 0; |
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have_density = 0; |
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have_box = 0; |
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have_box_x = 0; |
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have_box_y = 0; |
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have_box_y = 0; |
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have_box_z = 0; |
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have_sample_time = 0; |
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have_status_time = 0; |
126 |
mmeineke |
745 |
have_reset_time = 0; |
127 |
mmeineke |
377 |
have_thermal_time = 0; |
128 |
gezelter |
394 |
have_ecr = 0; |
129 |
mmeineke |
377 |
have_dielectric = 0; |
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have_tempSet = 0; |
131 |
gezelter |
394 |
have_est = 0; |
132 |
gezelter |
465 |
have_target_pressure =0; |
133 |
gezelter |
474 |
have_q_mass = 0; |
134 |
gezelter |
481 |
have_tau_thermostat = 0; |
135 |
mmeineke |
675 |
have_tau_barostat = 0; |
136 |
tim |
682 |
have_zcons_time = 0; |
137 |
mmeineke |
675 |
have_n_zConstraints = 0; |
138 |
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have_zConstraints = 0; |
139 |
tim |
682 |
have_zcons_tol = 0; |
140 |
tim |
704 |
have_seed = 0; |
141 |
mmeineke |
377 |
|
142 |
tim |
689 |
} |
143 |
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144 |
mmeineke |
377 |
Globals::~Globals(){ |
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int i; |
146 |
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147 |
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for( i=0; i<hash_size; i++ ){ |
148 |
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if( command_table[i] != NULL ) delete command_table[i]; |
149 |
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} |
150 |
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delete[] command_table; |
151 |
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152 |
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if( components != NULL ){ |
153 |
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for( i=0; i<n_components; i++ ) delete components[i]; |
154 |
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delete[] components; |
155 |
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} |
156 |
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} |
157 |
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158 |
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int Globals::newComponent( event* the_event ){ |
159 |
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160 |
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current_component = new Component; |
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int index = the_event->evt.blk_index; |
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char err[200]; |
163 |
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164 |
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if( have_n_components && index < n_components ) |
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components[index] = current_component; |
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else{ |
167 |
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if( have_n_components ){ |
168 |
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sprintf( err, "Globals error, %d out of nComponents range", |
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index ); |
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the_event->err_msg = strdup( err ); |
171 |
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return 0; |
172 |
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} |
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else{ |
174 |
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the_event->err_msg = strdup("Globals error, nComponents not given before" |
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"first component declaration." ); |
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return 0; |
177 |
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} |
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} |
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180 |
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return 1; |
181 |
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} |
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183 |
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184 |
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185 |
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int Globals::componentAssign( event* the_event ){ |
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switch( the_event->evt.asmt.asmt_type ){ |
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189 |
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case STRING: |
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return current_component->assignString( the_event->evt.asmt.lhs, |
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the_event->evt.asmt.rhs.sval, |
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&(the_event->err_msg)); |
193 |
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break; |
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195 |
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case DOUBLE: |
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return current_component->assignDouble( the_event->evt.asmt.lhs, |
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the_event->evt.asmt.rhs.dval, |
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&(the_event->err_msg)); |
199 |
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break; |
200 |
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case INT: |
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return current_component->assignInt( the_event->evt.asmt.lhs, |
203 |
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the_event->evt.asmt.rhs.ival, |
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&(the_event->err_msg)); |
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break; |
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207 |
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default: |
208 |
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the_event->err_msg = strdup( "Globals error. Invalid component" |
209 |
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" assignment type" ); |
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return 0; |
211 |
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break; |
212 |
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} |
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return 0; |
214 |
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} |
215 |
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216 |
mmeineke |
675 |
int Globals::componentEnd( event* the_event ){ |
217 |
mmeineke |
377 |
|
218 |
mmeineke |
675 |
the_event->err_msg = current_component->checkMe(); |
219 |
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if( the_event->err_msg != NULL ) return 0; |
220 |
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221 |
mmeineke |
377 |
return 1; |
222 |
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} |
223 |
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224 |
mmeineke |
675 |
int Globals::newZconstraint( event* the_event ){ |
225 |
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226 |
mmeineke |
377 |
|
227 |
mmeineke |
675 |
int index = the_event->evt.blk_index; |
228 |
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char err[200]; |
229 |
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current_zConstraint = new ZconStamp( index ); |
230 |
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231 |
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have_zConstraints = 1; |
232 |
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233 |
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if( have_n_zConstraints && index < n_zConstraints ) |
234 |
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zConstraints[index] = current_zConstraint; |
235 |
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else{ |
236 |
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if( have_n_zConstraints ){ |
237 |
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sprintf( err, "Globals error, %d out of nZconstraints range", |
238 |
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index ); |
239 |
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the_event->err_msg = strdup( err ); |
240 |
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return 0; |
241 |
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} |
242 |
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else{ |
243 |
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the_event->err_msg = strdup("Globals error, nZconstraints" |
244 |
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" not given before" |
245 |
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" first zConstraint declaration." ); |
246 |
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return 0; |
247 |
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} |
248 |
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} |
249 |
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250 |
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return 1; |
251 |
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} |
252 |
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253 |
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254 |
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255 |
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int Globals::zConstraintAssign( event* the_event ){ |
256 |
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257 |
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switch( the_event->evt.asmt.asmt_type ){ |
258 |
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259 |
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case STRING: |
260 |
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return current_zConstraint->assignString( the_event->evt.asmt.lhs, |
261 |
tim |
689 |
the_event->evt.asmt.rhs.sval, |
262 |
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&(the_event->err_msg)); |
263 |
mmeineke |
675 |
break; |
264 |
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265 |
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case DOUBLE: |
266 |
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return current_zConstraint->assignDouble( the_event->evt.asmt.lhs, |
267 |
tim |
689 |
the_event->evt.asmt.rhs.dval, |
268 |
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&(the_event->err_msg)); |
269 |
mmeineke |
675 |
break; |
270 |
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271 |
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case INT: |
272 |
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return current_zConstraint->assignInt( the_event->evt.asmt.lhs, |
273 |
tim |
689 |
the_event->evt.asmt.rhs.ival, |
274 |
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&(the_event->err_msg)); |
275 |
mmeineke |
675 |
break; |
276 |
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277 |
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default: |
278 |
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the_event->err_msg = strdup( "Globals error. Invalid zConstraint" |
279 |
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" assignment type" ); |
280 |
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return 0; |
281 |
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break; |
282 |
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} |
283 |
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return 0; |
284 |
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} |
285 |
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286 |
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int Globals::zConstraintEnd( event* the_event ){ |
287 |
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288 |
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the_event->err_msg = current_zConstraint->checkMe(); |
289 |
mmeineke |
377 |
if( the_event->err_msg != NULL ) return 0; |
290 |
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291 |
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return 1; |
292 |
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} |
293 |
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294 |
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int Globals::globalAssign( event* the_event ){ |
295 |
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296 |
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int key; |
297 |
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int token; |
298 |
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interface_assign_type the_type = the_event->evt.asmt.asmt_type; |
299 |
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char* lhs = the_event->evt.asmt.lhs; |
300 |
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char err[300]; |
301 |
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302 |
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token = 0; |
303 |
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key = hash( lhs ); |
304 |
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if( command_table[key] != NULL ) token = command_table[key]->match( lhs ); |
305 |
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306 |
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if( token ){ |
307 |
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308 |
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switch( token ){ |
309 |
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310 |
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case G_FORCEFIELD: |
311 |
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if( the_type == STRING ){ |
312 |
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strcpy( force_field, the_event->evt.asmt.rhs.sval ); |
313 |
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have_force_field = 1; |
314 |
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return 1; |
315 |
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} |
316 |
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|
317 |
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the_event->err_msg = |
318 |
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strdup( "Global error. forceField was not a string assignment.\n" ); |
319 |
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return 0; |
320 |
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break; |
321 |
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|
322 |
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case G_NCOMPONENTS: |
323 |
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if( the_type == STRING ){ |
324 |
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the_event->err_msg = |
325 |
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strdup("Global error. nComponents is not a double or an int.\n" ); |
326 |
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return 0; |
327 |
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} |
328 |
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|
329 |
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else if( the_type == DOUBLE ){ |
330 |
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n_components = (int)the_event->evt.asmt.rhs.dval; |
331 |
|
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components = new Component*[n_components]; |
332 |
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have_n_components = 1; |
333 |
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return 1; |
334 |
|
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} |
335 |
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|
336 |
|
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else{ |
337 |
|
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n_components = the_event->evt.asmt.rhs.ival; |
338 |
|
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components = new Component*[n_components]; |
339 |
|
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have_n_components = 1; |
340 |
|
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return 1; |
341 |
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} |
342 |
|
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break; |
343 |
mmeineke |
675 |
|
344 |
|
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case G_NZCONSTRAINTS: |
345 |
|
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if( the_type == STRING ){ |
346 |
|
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the_event->err_msg = |
347 |
|
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strdup("Global error. nZconstraints is not a double or an int.\n" ); |
348 |
|
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return 0; |
349 |
|
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} |
350 |
mmeineke |
377 |
|
351 |
mmeineke |
675 |
else if( the_type == DOUBLE ){ |
352 |
|
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n_zConstraints = (int)the_event->evt.asmt.rhs.dval; |
353 |
|
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zConstraints = new ZconStamp*[n_zConstraints]; |
354 |
|
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have_n_zConstraints = 1; |
355 |
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return 1; |
356 |
|
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} |
357 |
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|
358 |
|
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else{ |
359 |
|
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n_zConstraints = the_event->evt.asmt.rhs.ival; |
360 |
|
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zConstraints = new ZconStamp*[n_zConstraints]; |
361 |
|
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have_n_zConstraints = 1; |
362 |
|
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return 1; |
363 |
|
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} |
364 |
|
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break; |
365 |
|
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|
366 |
mmeineke |
377 |
case G_TARGETTEMP: |
367 |
|
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switch( the_type ){ |
368 |
|
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|
369 |
|
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case STRING: |
370 |
|
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the_event->err_msg = |
371 |
|
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strdup( "Global error. targetTemp is not a double or int.\n" ); |
372 |
|
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return 0; |
373 |
|
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break; |
374 |
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|
375 |
|
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case DOUBLE: |
376 |
|
|
target_temp = the_event->evt.asmt.rhs.dval; |
377 |
|
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have_target_temp = 1; |
378 |
|
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return 1; |
379 |
|
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break; |
380 |
|
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|
381 |
|
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case INT: |
382 |
|
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target_temp = (double)the_event->evt.asmt.rhs.ival; |
383 |
|
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have_target_temp = 1; |
384 |
|
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return 1; |
385 |
|
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break; |
386 |
|
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|
387 |
|
|
default: |
388 |
|
|
the_event->err_msg = |
389 |
|
|
strdup( "Global error. targetTemp unrecognized.\n" ); |
390 |
|
|
return 0; |
391 |
|
|
break; |
392 |
|
|
} |
393 |
|
|
break; |
394 |
|
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|
395 |
|
|
case G_ENSEMBLE: |
396 |
|
|
if( the_type == STRING ){ |
397 |
|
|
strcpy( ensemble, the_event->evt.asmt.rhs.sval ); |
398 |
|
|
have_ensemble = 1; |
399 |
|
|
return 1; |
400 |
|
|
} |
401 |
|
|
|
402 |
|
|
the_event->err_msg = |
403 |
|
|
strdup( "Global error. ensemble was not assigned to a string\n" ); |
404 |
|
|
return 0; |
405 |
|
|
break; |
406 |
|
|
|
407 |
|
|
case G_MIXINGRULE: |
408 |
|
|
if( the_type == STRING ){ |
409 |
|
|
strcpy( mixingRule, the_event->evt.asmt.rhs.sval ); |
410 |
|
|
return 1; |
411 |
|
|
} |
412 |
|
|
|
413 |
|
|
the_event->err_msg = |
414 |
|
|
strdup( "Global error. mixing rule was not assigned to a string\n" ); |
415 |
|
|
return 0; |
416 |
|
|
break; |
417 |
|
|
|
418 |
|
|
case G_DT: |
419 |
|
|
switch( the_type ){ |
420 |
|
|
|
421 |
|
|
case STRING: |
422 |
|
|
the_event->err_msg = |
423 |
|
|
strdup( "Global error. dt is not a double or int.\n" ); |
424 |
|
|
return 0; |
425 |
|
|
break; |
426 |
|
|
|
427 |
|
|
case DOUBLE: |
428 |
|
|
dt = the_event->evt.asmt.rhs.dval; |
429 |
|
|
have_dt = 1; |
430 |
|
|
return 1; |
431 |
|
|
break; |
432 |
|
|
|
433 |
|
|
case INT: |
434 |
|
|
dt = (double)the_event->evt.asmt.rhs.ival; |
435 |
|
|
have_dt = 1; |
436 |
|
|
return 1; |
437 |
|
|
break; |
438 |
|
|
|
439 |
|
|
default: |
440 |
|
|
the_event->err_msg = |
441 |
|
|
strdup( "Global error. dt unrecognized.\n" ); |
442 |
|
|
return 0; |
443 |
|
|
break; |
444 |
|
|
} |
445 |
|
|
break; |
446 |
|
|
|
447 |
|
|
case G_RUNTIME: |
448 |
|
|
switch( the_type ){ |
449 |
|
|
|
450 |
|
|
case STRING: |
451 |
|
|
the_event->err_msg = |
452 |
|
|
strdup( "Global error. runTime is not a double or int.\n" ); |
453 |
|
|
return 0; |
454 |
|
|
break; |
455 |
|
|
|
456 |
|
|
case DOUBLE: |
457 |
|
|
run_time = the_event->evt.asmt.rhs.dval; |
458 |
|
|
have_run_time = 1; |
459 |
|
|
return 1; |
460 |
|
|
break; |
461 |
|
|
|
462 |
|
|
case INT: |
463 |
|
|
run_time = (double)the_event->evt.asmt.rhs.ival; |
464 |
|
|
have_run_time = 1; |
465 |
|
|
return 1; |
466 |
|
|
break; |
467 |
|
|
|
468 |
|
|
default: |
469 |
|
|
the_event->err_msg = |
470 |
|
|
strdup( "Global error. runTime unrecognized.\n" ); |
471 |
|
|
return 0; |
472 |
|
|
break; |
473 |
|
|
} |
474 |
|
|
break; |
475 |
|
|
|
476 |
|
|
case G_INITIALCONFIG: |
477 |
|
|
if( the_type == STRING ){ |
478 |
|
|
strcpy( initial_config, the_event->evt.asmt.rhs.sval ); |
479 |
|
|
have_initial_config = 1; |
480 |
|
|
return 1; |
481 |
|
|
} |
482 |
|
|
|
483 |
|
|
the_event->err_msg = |
484 |
|
|
strdup( "Global error. initialConfig was not a string assignment.\n" ); |
485 |
|
|
return 0; |
486 |
|
|
break; |
487 |
|
|
|
488 |
|
|
case G_FINALCONFIG: |
489 |
|
|
if( the_type == STRING ){ |
490 |
|
|
strcpy( final_config, the_event->evt.asmt.rhs.sval ); |
491 |
|
|
have_final_config = 1; |
492 |
|
|
return 1; |
493 |
|
|
} |
494 |
|
|
|
495 |
|
|
the_event->err_msg = |
496 |
|
|
strdup( "Global error. finalConfig was not a string assignment.\n" ); |
497 |
|
|
return 0; |
498 |
|
|
break; |
499 |
|
|
|
500 |
|
|
case G_NMOL: |
501 |
|
|
switch( the_type ){ |
502 |
|
|
|
503 |
|
|
case STRING: |
504 |
|
|
the_event->err_msg = |
505 |
|
|
strdup( "Global error. nMol is not a double or int.\n" ); |
506 |
|
|
return 0; |
507 |
|
|
break; |
508 |
|
|
|
509 |
|
|
case DOUBLE: |
510 |
|
|
n_mol = (int)the_event->evt.asmt.rhs.dval; |
511 |
|
|
have_n_mol = 1; |
512 |
|
|
return 1; |
513 |
|
|
break; |
514 |
|
|
|
515 |
|
|
case INT: |
516 |
|
|
n_mol = the_event->evt.asmt.rhs.ival; |
517 |
|
|
have_n_mol = 1; |
518 |
|
|
return 1; |
519 |
|
|
break; |
520 |
|
|
|
521 |
|
|
default: |
522 |
|
|
the_event->err_msg = |
523 |
|
|
strdup( "Global error. nMol unrecognized.\n" ); |
524 |
|
|
return 0; |
525 |
|
|
break; |
526 |
|
|
} |
527 |
|
|
break; |
528 |
|
|
|
529 |
|
|
case G_DENSITY: |
530 |
|
|
switch( the_type ){ |
531 |
|
|
|
532 |
|
|
case STRING: |
533 |
|
|
the_event->err_msg = |
534 |
|
|
strdup( "Global error. density is not a double or int.\n" ); |
535 |
|
|
return 0; |
536 |
|
|
break; |
537 |
|
|
|
538 |
|
|
case DOUBLE: |
539 |
|
|
density = the_event->evt.asmt.rhs.dval; |
540 |
|
|
have_density = 1; |
541 |
|
|
return 1; |
542 |
|
|
break; |
543 |
|
|
|
544 |
|
|
case INT: |
545 |
|
|
density = (double)the_event->evt.asmt.rhs.ival; |
546 |
|
|
have_density = 1; |
547 |
|
|
return 1; |
548 |
|
|
break; |
549 |
|
|
|
550 |
|
|
default: |
551 |
|
|
the_event->err_msg = |
552 |
|
|
strdup( "Global error. density unrecognized.\n" ); |
553 |
|
|
return 0; |
554 |
|
|
break; |
555 |
|
|
} |
556 |
|
|
break; |
557 |
|
|
|
558 |
|
|
case G_BOX: |
559 |
|
|
switch( the_type ){ |
560 |
|
|
|
561 |
|
|
case STRING: |
562 |
|
|
the_event->err_msg = |
563 |
|
|
strdup( "Global error. box is not a double or int.\n" ); |
564 |
|
|
return 0; |
565 |
|
|
break; |
566 |
|
|
|
567 |
|
|
case DOUBLE: |
568 |
|
|
box = the_event->evt.asmt.rhs.dval; |
569 |
|
|
have_box = 1; |
570 |
|
|
return 1; |
571 |
|
|
break; |
572 |
|
|
|
573 |
|
|
case INT: |
574 |
|
|
box = (double)the_event->evt.asmt.rhs.ival; |
575 |
|
|
have_box = 1; |
576 |
|
|
return 1; |
577 |
|
|
break; |
578 |
|
|
|
579 |
|
|
default: |
580 |
|
|
the_event->err_msg = |
581 |
|
|
strdup( "Global error. box unrecognized.\n" ); |
582 |
|
|
return 0; |
583 |
|
|
break; |
584 |
|
|
} |
585 |
|
|
break; |
586 |
|
|
|
587 |
|
|
case G_BOXX: |
588 |
|
|
switch( the_type ){ |
589 |
|
|
|
590 |
|
|
case STRING: |
591 |
|
|
the_event->err_msg = |
592 |
|
|
strdup( "Global error. boxX is not a double or int.\n" ); |
593 |
|
|
return 0; |
594 |
|
|
break; |
595 |
|
|
|
596 |
|
|
case DOUBLE: |
597 |
|
|
box_x = the_event->evt.asmt.rhs.dval; |
598 |
|
|
have_box_x = 1; |
599 |
|
|
return 1; |
600 |
|
|
break; |
601 |
|
|
|
602 |
|
|
case INT: |
603 |
|
|
box_x = (double)the_event->evt.asmt.rhs.ival; |
604 |
|
|
have_box_x = 1; |
605 |
|
|
return 1; |
606 |
|
|
break; |
607 |
|
|
|
608 |
|
|
default: |
609 |
|
|
the_event->err_msg = |
610 |
|
|
strdup( "Global error. boxX unrecognized.\n" ); |
611 |
|
|
return 0; |
612 |
|
|
break; |
613 |
|
|
} |
614 |
|
|
break; |
615 |
|
|
|
616 |
|
|
case G_BOXY: |
617 |
|
|
switch( the_type ){ |
618 |
|
|
|
619 |
|
|
case STRING: |
620 |
|
|
the_event->err_msg = |
621 |
|
|
strdup( "Global error. boxY is not a double or int.\n" ); |
622 |
|
|
return 0; |
623 |
|
|
break; |
624 |
|
|
|
625 |
|
|
case DOUBLE: |
626 |
|
|
box_y = the_event->evt.asmt.rhs.dval; |
627 |
|
|
have_box_y = 1; |
628 |
|
|
return 1; |
629 |
|
|
break; |
630 |
|
|
|
631 |
|
|
case INT: |
632 |
|
|
box_y = (double)the_event->evt.asmt.rhs.ival; |
633 |
|
|
have_box_y = 1; |
634 |
|
|
return 1; |
635 |
|
|
break; |
636 |
|
|
|
637 |
|
|
default: |
638 |
|
|
the_event->err_msg = |
639 |
|
|
strdup( "Global error. boxY unrecognized.\n" ); |
640 |
|
|
return 0; |
641 |
|
|
break; |
642 |
|
|
} |
643 |
|
|
break; |
644 |
|
|
|
645 |
|
|
case G_BOXZ: |
646 |
|
|
switch( the_type ){ |
647 |
|
|
|
648 |
|
|
case STRING: |
649 |
|
|
the_event->err_msg = |
650 |
|
|
strdup( "Global error. boxZ is not a double or int.\n" ); |
651 |
|
|
return 0; |
652 |
|
|
break; |
653 |
|
|
|
654 |
|
|
case DOUBLE: |
655 |
|
|
box_z = the_event->evt.asmt.rhs.dval; |
656 |
|
|
have_box_z = 1; |
657 |
|
|
return 1; |
658 |
|
|
break; |
659 |
|
|
|
660 |
|
|
case INT: |
661 |
|
|
box_z = (double)the_event->evt.asmt.rhs.ival; |
662 |
|
|
have_box_z = 1; |
663 |
|
|
return 1; |
664 |
|
|
break; |
665 |
|
|
|
666 |
|
|
default: |
667 |
|
|
the_event->err_msg = |
668 |
|
|
strdup( "Global error. boxZ unrecognized.\n" ); |
669 |
|
|
return 0; |
670 |
|
|
break; |
671 |
|
|
} |
672 |
|
|
break; |
673 |
|
|
|
674 |
|
|
case G_SAMPLETIME: |
675 |
|
|
switch( the_type ){ |
676 |
|
|
|
677 |
|
|
case STRING: |
678 |
|
|
the_event->err_msg = |
679 |
|
|
strdup( "Global error. sampleTime is not a double or int.\n" ); |
680 |
|
|
return 0; |
681 |
|
|
break; |
682 |
|
|
|
683 |
|
|
case DOUBLE: |
684 |
|
|
sample_time = the_event->evt.asmt.rhs.dval; |
685 |
|
|
have_sample_time = 1; |
686 |
|
|
return 1; |
687 |
|
|
break; |
688 |
|
|
|
689 |
|
|
case INT: |
690 |
|
|
sample_time = (double)the_event->evt.asmt.rhs.ival; |
691 |
|
|
have_sample_time = 1; |
692 |
|
|
return 1; |
693 |
|
|
break; |
694 |
|
|
|
695 |
|
|
default: |
696 |
|
|
the_event->err_msg = |
697 |
|
|
strdup( "Global error. sampleTime unrecognized.\n" ); |
698 |
|
|
return 0; |
699 |
|
|
break; |
700 |
|
|
} |
701 |
|
|
break; |
702 |
|
|
|
703 |
|
|
case G_STATUSTIME: |
704 |
|
|
switch( the_type ){ |
705 |
|
|
|
706 |
|
|
case STRING: |
707 |
|
|
the_event->err_msg = |
708 |
|
|
strdup( "Global error. statusTime is not a double or int.\n" ); |
709 |
|
|
return 0; |
710 |
|
|
break; |
711 |
|
|
|
712 |
|
|
case DOUBLE: |
713 |
|
|
status_time = the_event->evt.asmt.rhs.dval; |
714 |
|
|
have_status_time = 1; |
715 |
|
|
return 1; |
716 |
|
|
break; |
717 |
|
|
|
718 |
|
|
case INT: |
719 |
|
|
status_time = (double)the_event->evt.asmt.rhs.ival; |
720 |
|
|
have_status_time = 1; |
721 |
|
|
return 1; |
722 |
|
|
break; |
723 |
|
|
|
724 |
|
|
default: |
725 |
|
|
the_event->err_msg = |
726 |
|
|
strdup( "Global error. statusTime unrecognized.\n" ); |
727 |
|
|
return 0; |
728 |
|
|
break; |
729 |
|
|
} |
730 |
|
|
break; |
731 |
|
|
|
732 |
mmeineke |
745 |
case G_RESETTIME: |
733 |
|
|
switch( the_type ){ |
734 |
|
|
|
735 |
|
|
case STRING: |
736 |
|
|
the_event->err_msg = |
737 |
|
|
strdup( "Global error. resetTime is not a double or int.\n" ); |
738 |
|
|
return 0; |
739 |
|
|
break; |
740 |
|
|
|
741 |
|
|
case DOUBLE: |
742 |
|
|
resetTime = the_event->evt.asmt.rhs.dval; |
743 |
|
|
have_reset_time = 1; |
744 |
|
|
return 1; |
745 |
|
|
break; |
746 |
|
|
|
747 |
|
|
case INT: |
748 |
|
|
resetTime = (double)the_event->evt.asmt.rhs.ival; |
749 |
|
|
have_reset_time = 1; |
750 |
|
|
return 1; |
751 |
|
|
break; |
752 |
|
|
|
753 |
|
|
default: |
754 |
|
|
the_event->err_msg = |
755 |
|
|
strdup( "Global error. resetTime unrecognized.\n" ); |
756 |
|
|
return 0; |
757 |
|
|
break; |
758 |
|
|
} |
759 |
|
|
break; |
760 |
|
|
|
761 |
tim |
689 |
case G_THERMALTIME: |
762 |
mmeineke |
377 |
switch( the_type ){ |
763 |
|
|
|
764 |
|
|
case STRING: |
765 |
|
|
the_event->err_msg = |
766 |
|
|
strdup( "Global error. thermalTime is not a double or int.\n" ); |
767 |
|
|
return 0; |
768 |
|
|
break; |
769 |
|
|
|
770 |
|
|
case DOUBLE: |
771 |
|
|
thermal_time = the_event->evt.asmt.rhs.dval; |
772 |
|
|
have_thermal_time = 1; |
773 |
|
|
return 1; |
774 |
|
|
break; |
775 |
|
|
|
776 |
|
|
case INT: |
777 |
|
|
thermal_time = (double)the_event->evt.asmt.rhs.ival; |
778 |
|
|
have_thermal_time = 1; |
779 |
|
|
return 1; |
780 |
|
|
break; |
781 |
|
|
|
782 |
|
|
default: |
783 |
|
|
the_event->err_msg = |
784 |
|
|
strdup( "Global error. thermalTime unrecognized.\n" ); |
785 |
|
|
return 0; |
786 |
|
|
break; |
787 |
|
|
} |
788 |
|
|
break; |
789 |
|
|
|
790 |
gezelter |
394 |
case G_ECR: |
791 |
mmeineke |
377 |
switch( the_type ){ |
792 |
|
|
|
793 |
|
|
case STRING: |
794 |
|
|
the_event->err_msg = |
795 |
gezelter |
394 |
strdup( "Global error. electrostaticCutoffRadius is not a double or int.\n" ); |
796 |
mmeineke |
377 |
return 0; |
797 |
|
|
break; |
798 |
|
|
|
799 |
|
|
case DOUBLE: |
800 |
gezelter |
394 |
ecr = the_event->evt.asmt.rhs.dval; |
801 |
|
|
have_ecr = 1; |
802 |
mmeineke |
377 |
return 1; |
803 |
|
|
break; |
804 |
|
|
|
805 |
|
|
case INT: |
806 |
gezelter |
394 |
ecr = (double)the_event->evt.asmt.rhs.ival; |
807 |
|
|
have_ecr = 1; |
808 |
mmeineke |
377 |
return 1; |
809 |
|
|
break; |
810 |
|
|
|
811 |
|
|
default: |
812 |
|
|
the_event->err_msg = |
813 |
gezelter |
394 |
strdup( "Global error. electrostaticCutoffRadius unrecognized.\n" ); |
814 |
mmeineke |
377 |
return 0; |
815 |
|
|
break; |
816 |
|
|
} |
817 |
|
|
break; |
818 |
gezelter |
394 |
|
819 |
|
|
case G_EST: |
820 |
|
|
switch( the_type ){ |
821 |
|
|
|
822 |
|
|
case STRING: |
823 |
|
|
the_event->err_msg = |
824 |
|
|
strdup( "Global error. electrostaticSkinThickness is not a double or int.\n" ); |
825 |
|
|
return 0; |
826 |
|
|
break; |
827 |
|
|
|
828 |
|
|
case DOUBLE: |
829 |
|
|
est = the_event->evt.asmt.rhs.dval; |
830 |
|
|
have_est = 1; |
831 |
|
|
return 1; |
832 |
|
|
break; |
833 |
|
|
|
834 |
|
|
case INT: |
835 |
|
|
est = (double)the_event->evt.asmt.rhs.ival; |
836 |
|
|
have_est = 1; |
837 |
|
|
return 1; |
838 |
|
|
break; |
839 |
|
|
|
840 |
|
|
default: |
841 |
|
|
the_event->err_msg = |
842 |
|
|
strdup( "Global error. electrostaticSkinThickness unrecognized.\n" ); |
843 |
|
|
return 0; |
844 |
|
|
break; |
845 |
|
|
} |
846 |
|
|
break; |
847 |
mmeineke |
377 |
|
848 |
|
|
case G_DIELECTRIC: |
849 |
|
|
switch( the_type ){ |
850 |
|
|
|
851 |
|
|
case STRING: |
852 |
|
|
the_event->err_msg = |
853 |
|
|
strdup( "Global error. dielectric is not a double or int.\n" ); |
854 |
|
|
return 0; |
855 |
|
|
break; |
856 |
|
|
|
857 |
|
|
case DOUBLE: |
858 |
|
|
dielectric = the_event->evt.asmt.rhs.dval; |
859 |
|
|
have_dielectric = 1; |
860 |
|
|
return 1; |
861 |
|
|
break; |
862 |
|
|
|
863 |
|
|
case INT: |
864 |
|
|
dielectric = (double)the_event->evt.asmt.rhs.ival; |
865 |
|
|
have_dielectric = 1; |
866 |
|
|
return 1; |
867 |
|
|
break; |
868 |
|
|
|
869 |
|
|
default: |
870 |
|
|
the_event->err_msg = |
871 |
|
|
strdup( "Global error. dielectric unrecognized.\n" ); |
872 |
|
|
return 0; |
873 |
|
|
break; |
874 |
|
|
} |
875 |
|
|
break; |
876 |
|
|
|
877 |
|
|
case G_TEMPSET: |
878 |
|
|
if( the_type == STRING ){ |
879 |
|
|
|
880 |
gezelter |
465 |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1; |
881 |
|
|
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0; |
882 |
mmeineke |
377 |
else{ |
883 |
|
|
the_event->err_msg = |
884 |
|
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
885 |
|
|
return 0; |
886 |
|
|
} |
887 |
|
|
have_tempSet = 1; |
888 |
|
|
return 1; |
889 |
|
|
} |
890 |
|
|
|
891 |
|
|
the_event->err_msg = |
892 |
|
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
893 |
|
|
return 0; |
894 |
|
|
break; |
895 |
|
|
|
896 |
|
|
case G_USEPBC: |
897 |
|
|
if( the_type == STRING ){ |
898 |
|
|
|
899 |
gezelter |
465 |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1; |
900 |
|
|
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0; |
901 |
mmeineke |
377 |
else{ |
902 |
|
|
the_event->err_msg = |
903 |
gezelter |
394 |
strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" ); |
904 |
mmeineke |
377 |
return 0; |
905 |
|
|
} |
906 |
|
|
return 1; |
907 |
|
|
} |
908 |
|
|
|
909 |
|
|
the_event->err_msg = |
910 |
gezelter |
394 |
strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" ); |
911 |
mmeineke |
377 |
return 0; |
912 |
|
|
break; |
913 |
gezelter |
394 |
|
914 |
|
|
case G_USERF: |
915 |
|
|
if( the_type == STRING ){ |
916 |
|
|
|
917 |
gezelter |
465 |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useRF = 1; |
918 |
|
|
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0; |
919 |
gezelter |
394 |
else{ |
920 |
|
|
the_event->err_msg = |
921 |
|
|
strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" ); |
922 |
|
|
return 0; |
923 |
|
|
} |
924 |
|
|
return 1; |
925 |
|
|
} |
926 |
|
|
|
927 |
|
|
the_event->err_msg = |
928 |
|
|
strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" ); |
929 |
|
|
return 0; |
930 |
|
|
break; |
931 |
|
|
|
932 |
gezelter |
465 |
case G_TARGETPRESSURE: |
933 |
|
|
switch( the_type ){ |
934 |
|
|
|
935 |
|
|
case STRING: |
936 |
|
|
the_event->err_msg = |
937 |
|
|
strdup( "Global error. targetPressure is not a double or int.\n" ); |
938 |
|
|
return 0; |
939 |
|
|
break; |
940 |
|
|
|
941 |
|
|
case DOUBLE: |
942 |
|
|
target_pressure = the_event->evt.asmt.rhs.dval; |
943 |
|
|
have_target_pressure = 1; |
944 |
|
|
return 1; |
945 |
|
|
break; |
946 |
|
|
|
947 |
|
|
case INT: |
948 |
|
|
target_pressure = (double)the_event->evt.asmt.rhs.ival; |
949 |
|
|
have_target_pressure = 1; |
950 |
|
|
return 1; |
951 |
|
|
break; |
952 |
|
|
|
953 |
|
|
default: |
954 |
|
|
the_event->err_msg = |
955 |
|
|
strdup( "Global error. targetPressure unrecognized.\n" ); |
956 |
|
|
return 0; |
957 |
|
|
break; |
958 |
|
|
} |
959 |
|
|
break; |
960 |
gezelter |
394 |
|
961 |
gezelter |
481 |
case G_TAUTHERMOSTAT: |
962 |
gezelter |
474 |
switch( the_type ){ |
963 |
|
|
|
964 |
|
|
case STRING: |
965 |
|
|
the_event->err_msg = |
966 |
gezelter |
481 |
strdup( "Global error. tauThermostat is not a double or int.\n" ); |
967 |
gezelter |
474 |
return 0; |
968 |
|
|
break; |
969 |
|
|
|
970 |
|
|
case DOUBLE: |
971 |
gezelter |
481 |
tau_thermostat = the_event->evt.asmt.rhs.dval; |
972 |
|
|
have_tau_thermostat = 1; |
973 |
gezelter |
474 |
return 1; |
974 |
|
|
break; |
975 |
|
|
|
976 |
|
|
case INT: |
977 |
gezelter |
481 |
tau_thermostat = (double)the_event->evt.asmt.rhs.ival; |
978 |
|
|
have_tau_thermostat = 1; |
979 |
gezelter |
474 |
return 1; |
980 |
|
|
break; |
981 |
|
|
|
982 |
|
|
default: |
983 |
|
|
the_event->err_msg = |
984 |
gezelter |
481 |
strdup( "Global error. tauThermostat unrecognized.\n" ); |
985 |
gezelter |
474 |
return 0; |
986 |
|
|
break; |
987 |
|
|
} |
988 |
|
|
break; |
989 |
|
|
|
990 |
gezelter |
481 |
case G_TAUBAROSTAT: |
991 |
|
|
switch( the_type ){ |
992 |
|
|
|
993 |
|
|
case STRING: |
994 |
|
|
the_event->err_msg = |
995 |
|
|
strdup( "Global error. tauBarostat is not a double or int.\n" ); |
996 |
|
|
return 0; |
997 |
|
|
break; |
998 |
|
|
|
999 |
|
|
case DOUBLE: |
1000 |
|
|
tau_barostat = the_event->evt.asmt.rhs.dval; |
1001 |
|
|
have_tau_barostat = 1; |
1002 |
|
|
return 1; |
1003 |
|
|
break; |
1004 |
|
|
|
1005 |
|
|
case INT: |
1006 |
|
|
tau_barostat = (double)the_event->evt.asmt.rhs.ival; |
1007 |
|
|
have_tau_barostat = 1; |
1008 |
|
|
return 1; |
1009 |
|
|
break; |
1010 |
|
|
|
1011 |
|
|
default: |
1012 |
|
|
the_event->err_msg = |
1013 |
|
|
strdup( "Global error. tauBarostat unrecognized.\n" ); |
1014 |
|
|
return 0; |
1015 |
|
|
break; |
1016 |
|
|
} |
1017 |
|
|
break; |
1018 |
tim |
659 |
|
1019 |
tim |
689 |
case G_ZCONSTIME: |
1020 |
tim |
659 |
switch( the_type ){ |
1021 |
|
|
|
1022 |
|
|
case STRING: |
1023 |
|
|
the_event->err_msg = |
1024 |
|
|
strdup( "Global error. zcons_time is not a double or int.\n" ); |
1025 |
|
|
return 0; |
1026 |
|
|
break; |
1027 |
|
|
|
1028 |
|
|
case DOUBLE: |
1029 |
|
|
zcons_time = the_event->evt.asmt.rhs.dval; |
1030 |
tim |
682 |
have_zcons_time = 1; |
1031 |
tim |
659 |
return 1; |
1032 |
|
|
break; |
1033 |
|
|
|
1034 |
|
|
case INT: |
1035 |
|
|
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
1036 |
tim |
682 |
have_zcons_time = 1; |
1037 |
tim |
659 |
return 1; |
1038 |
|
|
break; |
1039 |
|
|
|
1040 |
|
|
default: |
1041 |
|
|
the_event->err_msg = |
1042 |
|
|
strdup( "Global error. zcons_time unrecognized.\n" ); |
1043 |
|
|
return 0; |
1044 |
|
|
break; |
1045 |
|
|
} |
1046 |
|
|
break; |
1047 |
tim |
682 |
|
1048 |
tim |
689 |
case G_ZCONSTOL: |
1049 |
tim |
682 |
switch( the_type ){ |
1050 |
|
|
|
1051 |
|
|
case STRING: |
1052 |
|
|
the_event->err_msg = |
1053 |
|
|
strdup( "Global error. zcons_tol is not a double or int.\n" ); |
1054 |
|
|
return 0; |
1055 |
|
|
break; |
1056 |
|
|
|
1057 |
|
|
case DOUBLE: |
1058 |
|
|
zcons_tol = the_event->evt.asmt.rhs.dval; |
1059 |
|
|
have_zcons_tol = 1; |
1060 |
|
|
return 1; |
1061 |
|
|
break; |
1062 |
|
|
|
1063 |
|
|
case INT: |
1064 |
|
|
zcons_tol = (double)the_event->evt.asmt.rhs.ival; |
1065 |
|
|
have_zcons_tol = 1; |
1066 |
|
|
return 1; |
1067 |
|
|
break; |
1068 |
|
|
|
1069 |
|
|
default: |
1070 |
|
|
the_event->err_msg = |
1071 |
|
|
strdup( "Global error. zcons_ol unrecognized.\n" ); |
1072 |
|
|
return 0; |
1073 |
|
|
break; |
1074 |
|
|
} |
1075 |
|
|
break; |
1076 |
tim |
659 |
|
1077 |
tim |
699 |
case G_ZCONSFORCEPOLICY: |
1078 |
|
|
switch( the_type ){ |
1079 |
|
|
|
1080 |
|
|
case STRING: |
1081 |
|
|
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
1082 |
gezelter |
481 |
|
1083 |
tim |
699 |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
1084 |
|
|
{ |
1085 |
|
|
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1086 |
|
|
} |
1087 |
|
|
have_zcons_force_policy = 1; |
1088 |
|
|
return 1; |
1089 |
|
|
break; |
1090 |
|
|
|
1091 |
|
|
case DOUBLE: |
1092 |
|
|
the_event->err_msg = |
1093 |
|
|
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1094 |
|
|
return 0; |
1095 |
|
|
break; |
1096 |
|
|
|
1097 |
|
|
case INT: |
1098 |
|
|
the_event->err_msg = |
1099 |
|
|
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1100 |
|
|
return 0; |
1101 |
|
|
break; |
1102 |
|
|
|
1103 |
|
|
default: |
1104 |
|
|
the_event->err_msg = |
1105 |
|
|
strdup( "Global error. zconsForcePolicy unrecognized.\n" ); |
1106 |
|
|
return 0; |
1107 |
|
|
break; |
1108 |
|
|
} |
1109 |
|
|
break; |
1110 |
mmeineke |
655 |
// add more token cases here. |
1111 |
tim |
704 |
case G_SEED: |
1112 |
|
|
switch( the_type ){ |
1113 |
|
|
|
1114 |
|
|
case STRING: |
1115 |
|
|
the_event->err_msg = |
1116 |
|
|
strdup( "Global error. seed is not a string.\n" ); |
1117 |
|
|
return 0; |
1118 |
|
|
return 0; |
1119 |
|
|
break; |
1120 |
|
|
|
1121 |
|
|
case DOUBLE: |
1122 |
|
|
have_seed = 1; |
1123 |
|
|
seed = (int)the_event->evt.asmt.rhs.dval; |
1124 |
|
|
return 1; |
1125 |
|
|
break; |
1126 |
|
|
|
1127 |
|
|
case INT: |
1128 |
|
|
have_seed = 1; |
1129 |
|
|
seed = the_event->evt.asmt.rhs.ival ; |
1130 |
|
|
return 1; |
1131 |
|
|
break; |
1132 |
|
|
|
1133 |
|
|
default: |
1134 |
|
|
the_event->err_msg = |
1135 |
|
|
strdup( "Global error. seed unrecognized.\n" ); |
1136 |
|
|
return 0; |
1137 |
|
|
break; |
1138 |
|
|
} |
1139 |
|
|
break; |
1140 |
|
|
// add more token cases here. |
1141 |
mmeineke |
655 |
|
1142 |
mmeineke |
377 |
} |
1143 |
|
|
} |
1144 |
|
|
|
1145 |
|
|
switch( the_type ){ |
1146 |
|
|
|
1147 |
|
|
case STRING: |
1148 |
|
|
sprintf( err, |
1149 |
|
|
"Global error. Unrecognized assignment:\n" |
1150 |
|
|
"\t-> %s = %s\n", |
1151 |
|
|
lhs, the_event->evt.asmt.rhs.sval ); |
1152 |
|
|
break; |
1153 |
|
|
|
1154 |
|
|
case DOUBLE: |
1155 |
|
|
sprintf( err, |
1156 |
|
|
"Global error. Unrecognized assignment:\n" |
1157 |
|
|
"\t-> %s = %lf\n", |
1158 |
|
|
lhs, the_event->evt.asmt.rhs.dval ); |
1159 |
|
|
break; |
1160 |
|
|
|
1161 |
|
|
case INT: |
1162 |
|
|
sprintf( err, |
1163 |
|
|
"Global error. Unrecognized assignment:\n" |
1164 |
|
|
"\t-> %s = %d\n", |
1165 |
|
|
lhs, the_event->evt.asmt.rhs.ival ); |
1166 |
|
|
break; |
1167 |
|
|
|
1168 |
|
|
default: |
1169 |
|
|
sprintf( err, |
1170 |
|
|
"Global error. Unrecognized assignment:\n" |
1171 |
|
|
"\t-> %s = ?\n", |
1172 |
|
|
lhs ); |
1173 |
|
|
break; |
1174 |
|
|
} |
1175 |
|
|
|
1176 |
|
|
the_event->err_msg = strdup( err ); |
1177 |
|
|
return 0; |
1178 |
|
|
} |
1179 |
|
|
|
1180 |
|
|
char* Globals::checkMe( void ){ |
1181 |
|
|
|
1182 |
|
|
char err[300]; |
1183 |
|
|
short int have_err = 0; |
1184 |
|
|
|
1185 |
|
|
strcpy( err, "Global error. The following are required:\n" ); |
1186 |
|
|
|
1187 |
|
|
if( !have_force_field ){ |
1188 |
|
|
strcat( err, "\t->forceField\n" ); |
1189 |
|
|
have_err= 1; |
1190 |
|
|
} |
1191 |
|
|
|
1192 |
|
|
if( !have_n_components ){ |
1193 |
|
|
strcat( err, "\t->nComponents\n" ); |
1194 |
|
|
have_err= 1; |
1195 |
|
|
} |
1196 |
|
|
|
1197 |
|
|
if( !have_target_temp ){ |
1198 |
|
|
strcat( err, "\t->targetTemp\n" ); |
1199 |
|
|
have_err= 1; |
1200 |
|
|
} |
1201 |
|
|
|
1202 |
|
|
if( !have_ensemble ){ |
1203 |
|
|
strcat( err, "\t->ensemble\n" ); |
1204 |
|
|
have_err= 1; |
1205 |
|
|
} |
1206 |
|
|
|
1207 |
|
|
if( !have_dt ){ |
1208 |
|
|
strcat( err, "\t->dt\n" ); |
1209 |
|
|
have_err= 1; |
1210 |
|
|
} |
1211 |
|
|
|
1212 |
|
|
if( !have_run_time ){ |
1213 |
|
|
strcat( err, "\t->runTime\n" ); |
1214 |
|
|
have_err= 1; |
1215 |
|
|
} |
1216 |
|
|
|
1217 |
|
|
if( have_err ) return strdup( err ); |
1218 |
|
|
|
1219 |
|
|
return NULL; |
1220 |
|
|
} |
1221 |
|
|
|
1222 |
|
|
int Globals::globalEnd( event* the_event ){ |
1223 |
|
|
|
1224 |
|
|
the_event->err_msg = checkMe(); |
1225 |
|
|
if( the_event->err_msg != NULL ) return 0; |
1226 |
|
|
|
1227 |
|
|
return 1; |
1228 |
|
|
} |
1229 |
|
|
|
1230 |
|
|
int Globals::hash( char* text ){ |
1231 |
|
|
|
1232 |
|
|
register unsigned short int i = 0; // loop counter |
1233 |
|
|
int key = 0; // the hash key |
1234 |
|
|
|
1235 |
|
|
while( text[i] != '\0' ){ |
1236 |
|
|
|
1237 |
|
|
key = ( ( key << hash_shift ) + text[i] ) % hash_size; |
1238 |
|
|
|
1239 |
|
|
i++; |
1240 |
|
|
} |
1241 |
|
|
|
1242 |
|
|
if( key < 0 ){ |
1243 |
|
|
|
1244 |
|
|
// if the key is less than zero, we've had an overflow error |
1245 |
|
|
|
1246 |
|
|
sprintf( painCave.errMsg, |
1247 |
|
|
"There has been an overflow error in the Globals' hash key."); |
1248 |
|
|
painCave.isFatal = 1; |
1249 |
|
|
simError(); |
1250 |
|
|
#ifdef IS_MPI |
1251 |
|
|
if( painCave.isEventLoop ){ |
1252 |
|
|
if( worldRank == 0 ) mpiInterfaceExit(); |
1253 |
|
|
} |
1254 |
|
|
#endif //is_mpi |
1255 |
|
|
} |
1256 |
|
|
|
1257 |
|
|
return key; |
1258 |
|
|
} |
1259 |
|
|
|
1260 |
|
|
void Globals::addHash( char* text, int token ){ |
1261 |
|
|
|
1262 |
|
|
int key; |
1263 |
|
|
LinkedCommand* the_element; |
1264 |
|
|
|
1265 |
|
|
the_element = new LinkedCommand; |
1266 |
|
|
the_element->setValues( text, token ); |
1267 |
|
|
|
1268 |
|
|
key = hash( text ); |
1269 |
|
|
the_element->setNext( command_table[key] ); |
1270 |
|
|
command_table[key] = the_element; |
1271 |
|
|
} |