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root/group/trunk/OOPSE-1.0/libBASS/Globals.cpp
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Comparing trunk/OOPSE-1.0/libBASS/Globals.cpp (file contents):
Revision 1402 by gezelter, Fri Jul 23 19:58:37 2004 UTC vs.
Revision 1419 by gezelter, Tue Jul 27 18:14:16 2004 UTC

# Line 222 | Line 222 | int Globals::newComponent( event* the_event ){
222      components[index] = current_component;
223    else{
224      if( have_n_components ){
225 <      sprintf( err, "Globals error, %d out of nComponents range",
225 >      sprintf( err, "meta-data parsing error: %d out of nComponents range",
226                 index );
227        the_event->err_msg = strdup( err );
228        return 0;
229      }
230      else{
231 <      the_event->err_msg = strdup("Globals error, nComponents not given before"
232 <                                  "first component declaration." );
231 >      the_event->err_msg = strdup("meta-data parsing error: nComponents not given before"
232 >                                  " first component declaration." );
233        return 0;
234      }
235    }  
# Line 291 | Line 291 | int Globals::newZconstraint( event* the_event ){
291      zConstraints[index] = current_zConstraint;
292    else{
293      if( have_n_zConstraints ){
294 <      sprintf( err, "Globals error, %d out of nZconstraints range",
294 >      sprintf( err, "meta-data parsing error: %d out of nZconstraints range",
295                 index );
296        the_event->err_msg = strdup( err );
297        return 0;
298      }
299      else{
300 <      the_event->err_msg = strdup("Globals error, nZconstraints"
300 >      the_event->err_msg = strdup("meta-data parsing error: nZconstraints"
301                                    " not given before"
302                                    " first zConstraint declaration." );
303        return 0;
# Line 372 | Line 372 | int Globals::globalAssign( event* the_event ){
372        }
373        
374        the_event->err_msg =
375 <        strdup( "Global error. forceField was not a string assignment.\n" );
375 >        strdup( "Error in parsing meta-data file!\n\tforceField was not a string assignment.\n" );
376        return 0;
377        break;
378        
379      case G_NCOMPONENTS:
380        if( the_type == STRING ){
381          the_event->err_msg =
382 <          strdup("Global error. nComponents is not a double or an int.\n" );
382 >          strdup("Error in parsing meta-data file!\n\tnComponents is not a double or an int.\n" );
383          return 0;
384        }
385        
# Line 401 | Line 401 | int Globals::globalAssign( event* the_event ){
401      case G_NZCONSTRAINTS:
402        if( the_type == STRING ){
403          the_event->err_msg =
404 <          strdup("Global error. nZconstraints is not a double or an int.\n" );
404 >          strdup("Error in parsing meta-data file!\n\tnZconstraints is not a double or an int.\n" );
405          return 0;
406        }
407        
# Line 425 | Line 425 | int Globals::globalAssign( event* the_event ){
425          
426        case STRING:
427          the_event->err_msg =
428 <          strdup( "Global error. targetTemp is not a double or int.\n" );
428 >          strdup( "Error in parsing meta-data file!\n\ttargetTemp is not a double or int.\n" );
429          return 0;
430          break;
431          
# Line 443 | Line 443 | int Globals::globalAssign( event* the_event ){
443          
444        default:
445          the_event->err_msg =
446 <          strdup( "Global error. targetTemp unrecognized.\n" );
446 >          strdup( "Error in parsing meta-data file!\n\ttargetTemp unrecognized.\n" );
447          return 0;
448          break;
449        }
# Line 454 | Line 454 | int Globals::globalAssign( event* the_event ){
454          
455        case STRING:
456          the_event->err_msg =
457 <          strdup( "Global error. orthoBoxTolerance is not a double or int.\n" );
457 >          strdup( "Error in parsing meta-data file!\n\torthoBoxTolerance is not a double or int.\n" );
458          return 0;
459          break;
460          
# Line 486 | Line 486 | int Globals::globalAssign( event* the_event ){
486        }
487        
488        the_event->err_msg =
489 <        strdup( "Global error. ensemble was not assigned to a string\n" );
489 >        strdup( "Error in parsing meta-data file!\n\tensemble was not assigned to a string\n" );
490        return 0;
491        break;      
492  
# Line 497 | Line 497 | int Globals::globalAssign( event* the_event ){
497        }
498        
499        the_event->err_msg =
500 <        strdup( "Global error. mixing rule was not assigned to a string\n" );
500 >        strdup( "Error in parsing meta-data file!\n\tmixing rule was not assigned to a string\n" );
501        return 0;
502        break;      
503        
# Line 506 | Line 506 | int Globals::globalAssign( event* the_event ){
506          
507        case STRING:
508          the_event->err_msg =
509 <          strdup( "Global error. dt is not a double or int.\n" );
509 >          strdup( "Error in parsing meta-data file!\n\tdt is not a double or int.\n" );
510          return 0;
511          break;
512          
# Line 524 | Line 524 | int Globals::globalAssign( event* the_event ){
524          
525        default:
526          the_event->err_msg =
527 <          strdup( "Global error. dt unrecognized.\n" );
527 >          strdup( "Error in parsing meta-data file!\n\tdt unrecognized.\n" );
528          return 0;
529          break;
530        }
# Line 535 | Line 535 | int Globals::globalAssign( event* the_event ){
535          
536        case STRING:
537          the_event->err_msg =
538 <          strdup( "Global error. runTime is not a double or int.\n" );
538 >          strdup( "Error in parsing meta-data file!\n\trunTime is not a double or int.\n" );
539          return 0;
540          break;
541          
# Line 553 | Line 553 | int Globals::globalAssign( event* the_event ){
553          
554        default:
555          the_event->err_msg =
556 <          strdup( "Global error. runTime unrecognized.\n" );
556 >          strdup( "Error in parsing meta-data file!\n\trunTime unrecognized.\n" );
557          return 0;
558          break;
559        }
# Line 567 | Line 567 | int Globals::globalAssign( event* the_event ){
567        }
568        
569        the_event->err_msg =
570 <        strdup( "Global error. initialConfig was not a string assignment.\n" );
570 >        strdup( "Error in parsing meta-data file!\n\tinitialConfig was not a string assignment.\n" );
571        return 0;
572        break;
573        
# Line 579 | Line 579 | int Globals::globalAssign( event* the_event ){
579        }
580        
581        the_event->err_msg =
582 <        strdup( "Global error. finalConfig was not a string assignment.\n" );
582 >        strdup( "Error in parsing meta-data file!\n\tfinalConfig was not a string assignment.\n" );
583        return 0;
584        break;
585        
# Line 588 | Line 588 | int Globals::globalAssign( event* the_event ){
588          
589        case STRING:
590          the_event->err_msg =
591 <          strdup( "Global error. nMol is not a double or int.\n" );
591 >          strdup( "Error in parsing meta-data file!\n\tnMol is not a double or int.\n" );
592          return 0;
593          break;
594          
# Line 606 | Line 606 | int Globals::globalAssign( event* the_event ){
606          
607        default:
608          the_event->err_msg =
609 <          strdup( "Global error. nMol unrecognized.\n" );
609 >          strdup( "Error in parsing meta-data file!\n\tnMol unrecognized.\n" );
610          return 0;
611          break;
612        }
# Line 617 | Line 617 | int Globals::globalAssign( event* the_event ){
617          
618        case STRING:
619          the_event->err_msg =
620 <          strdup( "Global error. density is not a double or int.\n" );
620 >          strdup( "Error in parsing meta-data file!\n\tdensity is not a double or int.\n" );
621          return 0;
622          break;
623          
# Line 635 | Line 635 | int Globals::globalAssign( event* the_event ){
635          
636        default:
637          the_event->err_msg =
638 <          strdup( "Global error. density unrecognized.\n" );
638 >          strdup( "Error in parsing meta-data file!\n\tdensity unrecognized.\n" );
639          return 0;
640          break;
641        }
# Line 646 | Line 646 | int Globals::globalAssign( event* the_event ){
646          
647        case STRING:
648          the_event->err_msg =
649 <          strdup( "Global error. box is not a double or int.\n" );
649 >          strdup( "Error in parsing meta-data file!\n\tbox is not a double or int.\n" );
650          return 0;
651          break;
652          
# Line 664 | Line 664 | int Globals::globalAssign( event* the_event ){
664          
665        default:
666          the_event->err_msg =
667 <          strdup( "Global error. box unrecognized.\n" );
667 >          strdup( "Error in parsing meta-data file!\n\tbox unrecognized.\n" );
668          return 0;
669          break;
670        }
# Line 675 | Line 675 | int Globals::globalAssign( event* the_event ){
675          
676        case STRING:
677          the_event->err_msg =
678 <          strdup( "Global error. boxX is not a double or int.\n" );
678 >          strdup( "Error in parsing meta-data file!\n\tboxX is not a double or int.\n" );
679          return 0;
680          break;
681          
# Line 693 | Line 693 | int Globals::globalAssign( event* the_event ){
693          
694        default:
695          the_event->err_msg =
696 <          strdup( "Global error. boxX unrecognized.\n" );
696 >          strdup( "Error in parsing meta-data file!\n\tboxX unrecognized.\n" );
697          return 0;
698          break;
699        }
# Line 704 | Line 704 | int Globals::globalAssign( event* the_event ){
704          
705        case STRING:
706          the_event->err_msg =
707 <          strdup( "Global error. boxY is not a double or int.\n" );
707 >          strdup( "Error in parsing meta-data file!\n\tboxY is not a double or int.\n" );
708          return 0;
709          break;
710          
# Line 722 | Line 722 | int Globals::globalAssign( event* the_event ){
722          
723        default:
724          the_event->err_msg =
725 <          strdup( "Global error. boxY unrecognized.\n" );
725 >          strdup( "Error in parsing meta-data file!\n\tboxY unrecognized.\n" );
726          return 0;
727          break;
728        }
# Line 733 | Line 733 | int Globals::globalAssign( event* the_event ){
733          
734        case STRING:
735          the_event->err_msg =
736 <          strdup( "Global error. boxZ is not a double or int.\n" );
736 >          strdup( "Error in parsing meta-data file!\n\tboxZ is not a double or int.\n" );
737          return 0;
738          break;
739          
# Line 751 | Line 751 | int Globals::globalAssign( event* the_event ){
751          
752        default:
753          the_event->err_msg =
754 <          strdup( "Global error. boxZ unrecognized.\n" );
754 >          strdup( "Error in parsing meta-data file!\n\tboxZ unrecognized.\n" );
755          return 0;
756          break;
757        }
# Line 762 | Line 762 | int Globals::globalAssign( event* the_event ){
762          
763        case STRING:
764          the_event->err_msg =
765 <          strdup( "Global error. sampleTime is not a double or int.\n" );
765 >          strdup( "Error in parsing meta-data file!\n\tsampleTime is not a double or int.\n" );
766          return 0;
767          break;
768          
# Line 780 | Line 780 | int Globals::globalAssign( event* the_event ){
780          
781        default:
782          the_event->err_msg =
783 <          strdup( "Global error. sampleTime unrecognized.\n" );
783 >          strdup( "Error in parsing meta-data file!\n\tsampleTime unrecognized.\n" );
784          return 0;
785          break;
786        }
# Line 791 | Line 791 | int Globals::globalAssign( event* the_event ){
791          
792        case STRING:
793          the_event->err_msg =
794 <          strdup( "Global error. statusTime is not a double or int.\n" );
794 >          strdup( "Error in parsing meta-data file!\n\tstatusTime is not a double or int.\n" );
795          return 0;
796          break;
797          
# Line 809 | Line 809 | int Globals::globalAssign( event* the_event ){
809          
810        default:
811          the_event->err_msg =
812 <          strdup( "Global error. statusTime unrecognized.\n" );
812 >          strdup( "Error in parsing meta-data file!\n\tstatusTime unrecognized.\n" );
813          return 0;
814          break;
815        }
# Line 820 | Line 820 | int Globals::globalAssign( event* the_event ){
820          
821        case STRING:
822          the_event->err_msg =
823 <          strdup( "Global error. resetTime is not a double or int.\n" );
823 >          strdup( "Error in parsing meta-data file!\n\tresetTime is not a double or int.\n" );
824          return 0;
825          break;
826          
# Line 838 | Line 838 | int Globals::globalAssign( event* the_event ){
838          
839        default:
840          the_event->err_msg =
841 <          strdup( "Global error. resetTime unrecognized.\n" );
841 >          strdup( "Error in parsing meta-data file!\n\tresetTime unrecognized.\n" );
842          return 0;
843          break;
844        }
# Line 849 | Line 849 | int Globals::globalAssign( event* the_event ){
849          
850        case STRING:
851          the_event->err_msg =
852 <          strdup( "Global error. thermalTime is not a double or int.\n" );
852 >          strdup( "Error in parsing meta-data file!\n\tthermalTime is not a double or int.\n" );
853          return 0;
854          break;
855          
# Line 867 | Line 867 | int Globals::globalAssign( event* the_event ){
867          
868        default:
869          the_event->err_msg =
870 <          strdup( "Global error. thermalTime unrecognized.\n" );
870 >          strdup( "Error in parsing meta-data file!\n\tthermalTime unrecognized.\n" );
871          return 0;
872          break;
873        }
# Line 878 | Line 878 | int Globals::globalAssign( event* the_event ){
878          
879        case STRING:
880          the_event->err_msg =
881 <          strdup( "Global error. cutoffRadius is not a double or int.\n" );
881 >          strdup( "Error in parsing meta-data file!\n\tcutoffRadius is not a double or int.\n" );
882          return 0;
883          break;
884          
# Line 896 | Line 896 | int Globals::globalAssign( event* the_event ){
896          
897        default:
898          the_event->err_msg =
899 <          strdup( "Global error. cutoffRadius unrecognized.\n" );
899 >          strdup( "Error in parsing meta-data file!\n\tcutoffRadius unrecognized.\n" );
900          return 0;
901          break;
902        }
# Line 907 | Line 907 | int Globals::globalAssign( event* the_event ){
907          
908        case STRING:
909          the_event->err_msg =
910 <          strdup( "Global error. switchingRadius is not a double or int.\n" );
910 >          strdup( "Error in parsing meta-data file!\n\tswitchingRadius is not a double or int.\n" );
911          return 0;
912          break;
913          
# Line 925 | Line 925 | int Globals::globalAssign( event* the_event ){
925          
926        default:
927          the_event->err_msg =
928 <          strdup( "Global error. switchingRadius unrecognized.\n" );
928 >          strdup( "Error in parsing meta-data file!\n\tswitchingRadius unrecognized.\n" );
929          return 0;
930          break;
931        }
# Line 936 | Line 936 | int Globals::globalAssign( event* the_event ){
936          
937        case STRING:
938          the_event->err_msg =
939 <          strdup( "Global error. dielectric is not a double or int.\n" );
939 >          strdup( "Error in parsing meta-data file!\n\tdielectric is not a double or int.\n" );
940          return 0;
941          break;
942          
# Line 954 | Line 954 | int Globals::globalAssign( event* the_event ){
954          
955        default:
956          the_event->err_msg =
957 <          strdup( "Global error. dielectric unrecognized.\n" );
957 >          strdup( "Error in parsing meta-data file!\n\tdielectric unrecognized.\n" );
958          return 0;
959          break;
960        }
# Line 967 | Line 967 | int Globals::globalAssign( event* the_event ){
967          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0;
968          else{
969            the_event->err_msg =
970 <            strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
970 >            strdup( "Error in parsing meta-data file!\n\ttempSet was not \"true\" or \"false\".\n" );
971            return 0;
972          }
973          have_tempSet = 1;
# Line 975 | Line 975 | int Globals::globalAssign( event* the_event ){
975        }
976        
977        the_event->err_msg =
978 <        strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
978 >        strdup( "Error in parsing meta-data file!\n\ttempSet was not \"true\" or \"false\".\n" );
979        return 0;
980        break;
981  
# Line 986 | Line 986 | int Globals::globalAssign( event* the_event ){
986          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useInitTime = 0;
987          else{
988            the_event->err_msg =
989 <            strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" );
989 >            strdup( "Error in parsing meta-data file!\n\tuseInitTime was not \"true\" or \"false\".\n" );
990            return 0;
991          }
992          return 1;
993        }
994        
995        the_event->err_msg =
996 <        strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" );
996 >        strdup( "Error in parsing meta-data file!\n\tuseInitTime was not \"true\" or \"false\".\n" );
997        return 0;
998        break;
999  
# Line 1006 | Line 1006 | int Globals::globalAssign( event* the_event ){
1006            useInitXSstate = 0;
1007          else{
1008            the_event->err_msg =
1009 <            strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" );
1009 >            strdup( "Error in parsing meta-data file!\n\tuseInitExtendedSystemState was not \"true\" or \"false\".\n" );
1010            return 0;
1011          }
1012          return 1;
1013        }
1014        
1015        the_event->err_msg =
1016 <        strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" );
1016 >        strdup( "Error in parsing meta-data file!\n\tuseInitExtendedSystemState was not \"true\" or \"false\".\n" );
1017        return 0;
1018        break;
1019        
# Line 1024 | Line 1024 | int Globals::globalAssign( event* the_event ){
1024          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0;
1025          else{
1026            the_event->err_msg =
1027 <            strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" );
1027 >            strdup( "Error in parsing meta-data file!\n\tusePeriodicBoundaryConditions was not \"true\" or \"false\".\n" );
1028            return 0;
1029          }
1030          return 1;
1031        }
1032        
1033        the_event->err_msg =
1034 <        strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" );
1034 >        strdup( "Error in parsing meta-data file!\n\tusePeriodicBoundaryConditions was not \"true\" or \"false\".\n" );
1035        return 0;
1036        break;
1037  
# Line 1042 | Line 1042 | int Globals::globalAssign( event* the_event ){
1042          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0;
1043          else{
1044            the_event->err_msg =
1045 <            strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" );
1045 >            strdup( "Error in parsing meta-data file!\n\tuseReactionField was not \"true\" or \"false\".\n" );
1046            return 0;
1047          }
1048          return 1;
1049        }
1050        
1051        the_event->err_msg =
1052 <        strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" );
1052 >        strdup( "Error in parsing meta-data file!\n\tuseReactionField was not \"true\" or \"false\".\n" );
1053        return 0;
1054        break;
1055  
# Line 1058 | Line 1058 | int Globals::globalAssign( event* the_event ){
1058          
1059        case STRING:
1060          the_event->err_msg =
1061 <          strdup( "Global error. targetPressure is not a double or int.\n" );
1061 >          strdup( "Error in parsing meta-data file!\n\ttargetPressure is not a double or int.\n" );
1062          return 0;
1063          break;
1064          
# Line 1076 | Line 1076 | int Globals::globalAssign( event* the_event ){
1076          
1077        default:
1078          the_event->err_msg =
1079 <          strdup( "Global error. targetPressure unrecognized.\n" );
1079 >          strdup( "Error in parsing meta-data file!\n\ttargetPressure unrecognized.\n" );
1080          return 0;
1081          break;
1082        }
# Line 1087 | Line 1087 | int Globals::globalAssign( event* the_event ){
1087          
1088        case STRING:
1089          the_event->err_msg =
1090 <          strdup( "Global error. tauThermostat is not a double or int.\n" );
1090 >          strdup( "Error in parsing meta-data file!\n\ttauThermostat is not a double or int.\n" );
1091          return 0;
1092          break;
1093          
# Line 1105 | Line 1105 | int Globals::globalAssign( event* the_event ){
1105          
1106        default:
1107          the_event->err_msg =
1108 <          strdup( "Global error. tauThermostat unrecognized.\n" );
1108 >          strdup( "Error in parsing meta-data file!\n\ttauThermostat unrecognized.\n" );
1109          return 0;
1110          break;
1111        }
# Line 1116 | Line 1116 | int Globals::globalAssign( event* the_event ){
1116          
1117        case STRING:
1118          the_event->err_msg =
1119 <          strdup( "Global error. tauBarostat is not a double or int.\n" );
1119 >          strdup( "Error in parsing meta-data file!\n\ttauBarostat is not a double or int.\n" );
1120          return 0;
1121          break;
1122          
# Line 1134 | Line 1134 | int Globals::globalAssign( event* the_event ){
1134          
1135        default:
1136          the_event->err_msg =
1137 <          strdup( "Global error. tauBarostat unrecognized.\n" );
1137 >          strdup( "Error in parsing meta-data file!\n\ttauBarostat unrecognized.\n" );
1138          return 0;
1139          break;
1140        }
# Line 1145 | Line 1145 | int Globals::globalAssign( event* the_event ){
1145          
1146        case STRING:
1147          the_event->err_msg =
1148 <          strdup( "Global error. zcons_time is not a double or int.\n" );
1148 >          strdup( "Error in parsing meta-data file!\n\tzcons_time is not a double or int.\n" );
1149          return 0;
1150          break;
1151          
# Line 1163 | Line 1163 | int Globals::globalAssign( event* the_event ){
1163          
1164        default:
1165          the_event->err_msg =
1166 <          strdup( "Global error. zcons_time unrecognized.\n" );
1166 >          strdup( "Error in parsing meta-data file!\n\tzcons_time unrecognized.\n" );
1167          return 0;
1168          break;
1169        }
# Line 1174 | Line 1174 | int Globals::globalAssign( event* the_event ){
1174          
1175        case STRING:
1176          the_event->err_msg =
1177 <          strdup( "Global error. zcons_tol is not a double or int.\n" );
1177 >          strdup( "Error in parsing meta-data file!\n\tzcons_tol is not a double or int.\n" );
1178          return 0;
1179          break;
1180          
# Line 1192 | Line 1192 | int Globals::globalAssign( event* the_event ){
1192          
1193        default:
1194          the_event->err_msg =
1195 <          strdup( "Global error. zcons_ol unrecognized.\n" );
1195 >          strdup( "Error in parsing meta-data file!\n\tzcons_ol unrecognized.\n" );
1196          return 0;
1197          break;
1198        }
# Line 1214 | Line 1214 | int Globals::globalAssign( event* the_event ){
1214          
1215        case DOUBLE:
1216          the_event->err_msg =
1217 <          strdup( "Global error. zconsForcePolicy is not a double or int.\n" );
1217 >          strdup( "Error in parsing meta-data file!\n\tzconsForcePolicy is not a double or int.\n" );
1218          return 0;
1219          break;
1220          
1221        case INT:
1222          the_event->err_msg =
1223 <          strdup( "Global error. zconsForcePolicy is not a double or int.\n" );
1223 >          strdup( "Error in parsing meta-data file!\n\tzconsForcePolicy is not a double or int.\n" );
1224          return 0;
1225          break;
1226          
1227        default:
1228          the_event->err_msg =
1229 <          strdup( "Global error. zconsForcePolicy unrecognized.\n" );
1229 >          strdup( "Error in parsing meta-data file!\n\tzconsForcePolicy unrecognized.\n" );
1230          return 0;
1231          break;
1232        }
# Line 1237 | Line 1237 | int Globals::globalAssign( event* the_event ){
1237    
1238        case STRING:
1239          the_event->err_msg =
1240 <          strdup( "Global error. zcons_gap is not a double or int.\n" );
1240 >          strdup( "Error in parsing meta-data file!\n\tzcons_gap is not a double or int.\n" );
1241          return 0;
1242          break;
1243    
# Line 1255 | Line 1255 | int Globals::globalAssign( event* the_event ){
1255    
1256        default:
1257          the_event->err_msg =
1258 <          strdup( "Global error. zcons_gap unrecognized.\n" );
1258 >          strdup( "Error in parsing meta-data file!\n\tzcons_gap unrecognized.\n" );
1259          return 0;
1260          break;
1261        }
# Line 1266 | Line 1266 | int Globals::globalAssign( event* the_event ){
1266    
1267        case STRING:
1268          the_event->err_msg =
1269 <          strdup( "Global error. zcons_fixtime is not a double or int.\n" );
1269 >          strdup( "Error in parsing meta-data file!\n\tzcons_fixtime is not a double or int.\n" );
1270          return 0;
1271          break;
1272    
# Line 1284 | Line 1284 | int Globals::globalAssign( event* the_event ){
1284    
1285        default:
1286          the_event->err_msg =
1287 <          strdup( "Global error. zcons_fixtime unrecognized.\n" );
1287 >          strdup( "Error in parsing meta-data file!\n\tzcons_fixtime unrecognized.\n" );
1288          return 0;
1289          break;
1290        }
# Line 1295 | Line 1295 | int Globals::globalAssign( event* the_event ){
1295    
1296        case STRING:
1297          the_event->err_msg =
1298 <          strdup( "Global error. zcons_fixtime is not an  int.\n" );
1298 >          strdup( "Error in parsing meta-data file!\n\tzcons_fixtime is not an  int.\n" );
1299          return 0;
1300          break;
1301    
1302        case DOUBLE:
1303          the_event->err_msg =
1304 <          strdup( "Global error. zcons_fixtime is not an  int.\n" );
1304 >          strdup( "Error in parsing meta-data file!\n\tzcons_fixtime is not an  int.\n" );
1305          return 0;
1306          break;
1307    
# Line 1313 | Line 1313 | int Globals::globalAssign( event* the_event ){
1313    
1314        default:
1315          the_event->err_msg =
1316 <          strdup( "Global error. zcons_usingsmd unrecognized.\n" );
1316 >          strdup( "Error in parsing meta-data file!\n\tzcons_usingsmd unrecognized.\n" );
1317          return 0;
1318          break;
1319        }
# Line 1334 | Line 1334 | int Globals::globalAssign( event* the_event ){
1334          
1335        case DOUBLE:
1336          the_event->err_msg =
1337 <          strdup( "Global error. minimizer_name is not a double or int.\n" );
1337 >          strdup( "Error in parsing meta-data file!\n\tminimizer_name is not a double or int.\n" );
1338          return 0;
1339          break;
1340          
1341        case INT:
1342          the_event->err_msg =
1343 <          strdup( "Global error. minimizer_name is not a double or int.\n" );
1343 >          strdup( "Error in parsing meta-data file!\n\tminimizer_name is not a double or int.\n" );
1344          return 0;
1345          break;
1346          
1347        default:
1348          the_event->err_msg =
1349 <          strdup( "Global error. minimizer_name unrecognized.\n" );
1349 >          strdup( "Error in parsing meta-data file!\n\tminimizer_name unrecognized.\n" );
1350          return 0;
1351          break;
1352        }
# Line 1357 | Line 1357 | int Globals::globalAssign( event* the_event ){
1357  
1358        case STRING:
1359          the_event->err_msg =
1360 <          strdup( "Global error. minimizer_maxiteration is not a double or int.\n" );
1360 >          strdup( "Error in parsing meta-data file!\n\tminimizer_maxiteration is not a double or int.\n" );
1361          return 1;
1362          break;
1363          
# Line 1375 | Line 1375 | int Globals::globalAssign( event* the_event ){
1375          
1376        default:
1377          the_event->err_msg =
1378 <          strdup( "Global error. minimizer_maxiteration unrecognized.\n" );
1378 >          strdup( "Error in parsing meta-data file!\n\tminimizer_maxiteration unrecognized.\n" );
1379          return 0;
1380          break;
1381        }
# Line 1386 | Line 1386 | int Globals::globalAssign( event* the_event ){
1386  
1387        case STRING:
1388          the_event->err_msg =
1389 <          strdup( "Global error. minimizer_writefrq is not a double or int.\n" );
1389 >          strdup( "Error in parsing meta-data file!\n\tminimizer_writefrq is not a double or int.\n" );
1390          return 1;
1391          break;
1392          
# Line 1404 | Line 1404 | int Globals::globalAssign( event* the_event ){
1404          
1405        default:
1406          the_event->err_msg =
1407 <          strdup( "Global error. minimizer_writefrq unrecognized.\n" );
1407 >          strdup( "Error in parsing meta-data file!\n\tminimizer_writefrq unrecognized.\n" );
1408          return 0;
1409          break;
1410        }
# Line 1415 | Line 1415 | int Globals::globalAssign( event* the_event ){
1415  
1416        case STRING:
1417          the_event->err_msg =
1418 <          strdup( "Global error. minimizer_resetfrq is not a double or int.\n" );
1418 >          strdup( "Error in parsing meta-data file!\n\tminimizer_resetfrq is not a double or int.\n" );
1419          return 1;
1420          break;
1421          
# Line 1433 | Line 1433 | int Globals::globalAssign( event* the_event ){
1433          
1434        default:
1435          the_event->err_msg =
1436 <          strdup( "Global error. minimizer_resetfrq unrecognized.\n" );
1436 >          strdup( "Error in parsing meta-data file!\n\tminimizer_resetfrq unrecognized.\n" );
1437          return 0;
1438          break;
1439        }
# Line 1444 | Line 1444 | int Globals::globalAssign( event* the_event ){
1444  
1445        case STRING:
1446          the_event->err_msg =
1447 <          strdup( "Global error. minimizer_ftol is not a double or int.\n" );
1447 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ftol is not a double or int.\n" );
1448          return 1;
1449          break;
1450          
# Line 1462 | Line 1462 | int Globals::globalAssign( event* the_event ){
1462          
1463        default:
1464          the_event->err_msg =
1465 <          strdup( "Global error. minimizer_ftol unrecognized.\n" );
1465 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ftol unrecognized.\n" );
1466          return 0;
1467          break;
1468        }
# Line 1473 | Line 1473 | int Globals::globalAssign( event* the_event ){
1473  
1474        case STRING:
1475          the_event->err_msg =
1476 <          strdup( "Global error. minimizer_gtol is not a double or int.\n" );
1476 >          strdup( "Error in parsing meta-data file!\n\tminimizer_gtol is not a double or int.\n" );
1477          return 1;
1478          break;
1479          
# Line 1491 | Line 1491 | int Globals::globalAssign( event* the_event ){
1491          
1492        default:
1493          the_event->err_msg =
1494 <          strdup( "Global error. minimizer_gtol unrecognized.\n" );
1494 >          strdup( "Error in parsing meta-data file!\n\tminimizer_gtol unrecognized.\n" );
1495          return 0;
1496          break;
1497        }
# Line 1502 | Line 1502 | int Globals::globalAssign( event* the_event ){
1502  
1503        case STRING:
1504          the_event->err_msg =
1505 <          strdup( "Global error. minimizer_ls_maxiteration is not a double or int.\n" );
1505 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_maxiteration is not a double or int.\n" );
1506          return 1;
1507          break;
1508          
# Line 1520 | Line 1520 | int Globals::globalAssign( event* the_event ){
1520          
1521        default:
1522          the_event->err_msg =
1523 <          strdup( "Global error. minimizer_ls_maxiteration unrecognized.\n" );
1523 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_maxiteration unrecognized.\n" );
1524          return 0;
1525          break;
1526        }
# Line 1531 | Line 1531 | int Globals::globalAssign( event* the_event ){
1531  
1532        case STRING:
1533          the_event->err_msg =
1534 <          strdup( "Global error. minimizer_ls_tol is not a double or int.\n" );
1534 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_tol is not a double or int.\n" );
1535          return 1;
1536          break;
1537          
# Line 1549 | Line 1549 | int Globals::globalAssign( event* the_event ){
1549          
1550        default:
1551          the_event->err_msg =
1552 <          strdup( "Global error. minimizer_ls_tol unrecognized.\n" );
1552 >          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_tol unrecognized.\n" );
1553          return 0;
1554          break;
1555        }
# Line 1561 | Line 1561 | int Globals::globalAssign( event* the_event ){
1561          
1562        case STRING:
1563     the_event->err_msg =
1564 <          strdup( "Global error. seed is not a string.\n" );
1564 >          strdup( "Error in parsing meta-data file!\n\tseed is not a string.\n" );
1565          return 0;
1566     return 0;
1567          break;
# Line 1580 | Line 1580 | int Globals::globalAssign( event* the_event ){
1580          
1581        default:
1582          the_event->err_msg =
1583 <          strdup( "Global error. seed unrecognized.\n" );
1583 >          strdup( "Error in parsing meta-data file!\n\tseed unrecognized.\n" );
1584          return 0;
1585          break;
1586        }
# Line 1593 | Line 1593 | int Globals::globalAssign( event* the_event ){
1593          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useSolidThermInt = 0;
1594          else{
1595            the_event->err_msg =
1596 <            strdup( "Global error. useSolidThermInt was not \"true\" or \"false\".\n" );
1596 >            strdup( "Error in parsing meta-data file!\n\tuseSolidThermInt was not \"true\" or \"false\".\n" );
1597            return 0;
1598          }
1599          return 1;
1600        }
1601        
1602        the_event->err_msg =
1603 <        strdup( "Global error. useSolidThermInt was not \"true\" or \"false\".\n" );
1603 >        strdup( "Error in parsing meta-data file!\n\tuseSolidThermInt was not \"true\" or \"false\".\n" );
1604        return 0;
1605        break;
1606  
# Line 1611 | Line 1611 | int Globals::globalAssign( event* the_event ){
1611          else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useLiquidThermInt = 0;
1612          else{
1613            the_event->err_msg =
1614 <            strdup( "Global error. useLiquidThermInt was not \"true\" or \"false\".\n" );
1614 >            strdup( "Error in parsing meta-data file!\n\tuseLiquidThermInt was not \"true\" or \"false\".\n" );
1615            return 0;
1616          }
1617          return 1;
1618        }
1619        
1620        the_event->err_msg =
1621 <        strdup( "Global error. useLiquidThermInt was not \"true\" or \"false\".\n" );
1621 >        strdup( "Error in parsing meta-data file!\n\tuseLiquidThermInt was not \"true\" or \"false\".\n" );
1622        return 0;
1623        break;
1624  
# Line 1627 | Line 1627 | int Globals::globalAssign( event* the_event ){
1627          
1628        case STRING:
1629          the_event->err_msg =
1630 <          strdup( "Global error. thermodynamicIntegrationLambda is not a double or int.\n" );
1630 >          strdup( "Error in parsing meta-data file!\n\tthermodynamicIntegrationLambda is not a double or int.\n" );
1631          return 1;
1632          break;
1633          
# Line 1645 | Line 1645 | int Globals::globalAssign( event* the_event ){
1645          
1646        default:
1647          the_event->err_msg =
1648 <          strdup( "Global error. thermodynamicIntegrationLambda unrecognized.\n" );
1648 >          strdup( "Error in parsing meta-data file!\n\tthermodynamicIntegrationLambda unrecognized.\n" );
1649          return 0;
1650          break;
1651        }
# Line 1656 | Line 1656 | int Globals::globalAssign( event* the_event ){
1656          
1657        case STRING:
1658          the_event->err_msg =
1659 <          strdup( "Global error. thermodynamicIntegrationK is not a double or int.\n" );
1659 >          strdup( "Error in parsing meta-data file!\n\tthermodynamicIntegrationK is not a double or int.\n" );
1660          return 1;
1661          break;
1662          
# Line 1674 | Line 1674 | int Globals::globalAssign( event* the_event ){
1674          
1675        default:
1676          the_event->err_msg =
1677 <          strdup( "Global error. thermodynamicIntegrationK unrecognized.\n" );
1677 >          strdup( "Error in parsing meta-data file!\n\tthermodynamicIntegrationK unrecognized.\n" );
1678          return 0;
1679          break;
1680        }
# Line 1687 | Line 1687 | int Globals::globalAssign( event* the_event ){
1687        }
1688        
1689        the_event->err_msg =
1690 <        strdup( "Global error. forceFieldVariant was not a string assignment.\n" );
1690 >        strdup( "Error in parsing meta-data file!\n\tforceFieldVariant was not a string assignment.\n" );
1691        return 0;
1692        break;      
1693        // add more token cases here.      
# Line 1698 | Line 1698 | int Globals::globalAssign( event* the_event ){
1698      
1699    case STRING:
1700      sprintf( err,
1701 <             "Global error. Unrecognized assignment:\n"
1702 <             "\t-> %s = %s\n",
1701 >             "\tUnrecognized assignment:\n"
1702 >             "\t\t-> %s = %s\n",
1703               lhs, the_event->evt.asmt.rhs.sval );
1704      break;
1705      
1706    case DOUBLE:
1707      sprintf( err,
1708 <             "Global error. Unrecognized assignment:\n"
1709 <             "\t-> %s = %lf\n",
1708 >             "\tUnrecognized assignment:\n"
1709 >             "\t\t-> %s = %lf\n",
1710               lhs, the_event->evt.asmt.rhs.dval );
1711      break;
1712      
1713    case INT:
1714      sprintf( err,
1715 <             "Global error. Unrecognized assignment:\n"
1716 <             "\t-> %s = %d\n",
1715 >             "\tUnrecognized assignment:\n"
1716 >             "\t\t-> %s = %d\n",
1717               lhs, the_event->evt.asmt.rhs.ival );
1718      break;
1719      
1720    default:
1721      sprintf( err,
1722 <             "Global error. Unrecognized assignment:\n"
1723 <             "\t-> %s = ?\n",
1722 >             "\tUnrecognized assignment:\n"
1723 >             "\t\t-> %s = ?\n",
1724               lhs );
1725      break;
1726    }
# Line 1734 | Line 1734 | char* Globals::checkMe( void ){
1734    char err[300];
1735    short int have_err = 0;
1736  
1737 <  strcpy( err, "Global error. The following are required:\n" );
1737 >  strcpy( err, "The following required keywords are missing:\n" );
1738    
1739    if( !have_force_field ){
1740 <    strcat( err, "\t->forceField\n" );
1740 >    strcat( err, "\t\t->forceField\n" );
1741      have_err= 1;
1742    }
1743  
1744    if( !have_n_components ){
1745 <    strcat( err, "\t->nComponents\n" );
1745 >    strcat( err, "\t\t->nComponents\n" );
1746      have_err= 1;
1747    }
1748  
1749 –  if( !have_target_temp ){
1750 –    strcat( err, "\t->targetTemp\n" );
1751 –    have_err= 1;
1752 –  }
1749    
1750 <  if(!have_minimizer)
1751 <    if( !have_ensemble ){
1752 <      strcat( err, "\t->ensemble\n" );
1753 <      have_err= 1;
1750 >  if ( !have_ensemble ) {
1751 >    // I'm not doing MD:
1752 >    if ( !have_minimizer ) {
1753 >      // I'm not doing MD or minimization:
1754 >      strcat( err, "\t\t->either ensemble or minimizer must be set!\n" );
1755 >      have_err = 1;      
1756 >    } else {
1757 >      // I'm a minimizer:
1758      }
1759 <  
1760 <  if( !have_dt ){
1761 <    strcat( err, "\t->dt\n" );
1762 <    have_err= 1;
1759 >  } else {
1760 >    // I *am* doing MD:
1761 >    if( !have_dt ){
1762 >      strcat( err, "\t\t->dt (timestep in fs)\n" );
1763 >      have_err= 1;
1764 >    }
1765 >    if( !have_run_time ){
1766 >      strcat( err, "\t\t->runTime (total run time in fs)\n" );
1767 >      have_err= 1;
1768 >    }    
1769    }
1770 <  
1765 <  if( !have_run_time ){
1766 <    strcat( err, "\t->runTime\n" );
1767 <    have_err= 1;
1768 <  }
1769 <  
1770 >      
1771    if( have_err ) return strdup( err );
1772    
1773    return NULL;

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