46 |
|
#define G_TARGETPRESSURE 25 |
47 |
|
#define G_TAUTHERMOSTAT 26 |
48 |
|
#define G_TAUBAROSTAT 27 |
49 |
+ |
#define G_ZCONSTIME 28 |
50 |
+ |
#define G_ZCONSMOLINDEX 29 |
51 |
|
|
52 |
|
|
53 |
|
Globals::Globals(){ |
88 |
|
addHash( "targetPressure", G_TARGETPRESSURE); |
89 |
|
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
90 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
91 |
< |
|
91 |
> |
addHash( "zconsTime", G_ZCONSTIME); |
92 |
> |
addHash( "zconsMolIndex", G_ZCONSMOLINDEX); |
93 |
|
// define some default values |
94 |
|
|
95 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
123 |
|
have_q_mass = 0; |
124 |
|
have_tau_thermostat = 0; |
125 |
|
have_tau_barostat = 0; |
126 |
+ |
have_zcons_time = 0; |
127 |
+ |
have_index_of_all_zcons_mols = 0; |
128 |
|
} |
129 |
|
|
130 |
|
Globals::~Globals(){ |
887 |
|
break; |
888 |
|
} |
889 |
|
break; |
890 |
< |
|
890 |
> |
|
891 |
> |
case G_ZCONSTIME: |
892 |
> |
switch( the_type ){ |
893 |
> |
|
894 |
> |
case STRING: |
895 |
> |
the_event->err_msg = |
896 |
> |
strdup( "Global error. zcons_time is not a double or int.\n" ); |
897 |
> |
return 0; |
898 |
> |
break; |
899 |
> |
|
900 |
> |
case DOUBLE: |
901 |
> |
zcons_time = the_event->evt.asmt.rhs.dval; |
902 |
> |
return 1; |
903 |
> |
break; |
904 |
> |
|
905 |
> |
case INT: |
906 |
> |
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
907 |
> |
have_zcons_time = 1; |
908 |
> |
return 1; |
909 |
> |
break; |
910 |
> |
|
911 |
> |
default: |
912 |
> |
the_event->err_msg = |
913 |
> |
strdup( "Global error. zcons_time unrecognized.\n" ); |
914 |
> |
return 0; |
915 |
> |
break; |
916 |
> |
} |
917 |
> |
break; |
918 |
> |
|
919 |
> |
case G_ZCONSMOLINDEX: |
920 |
> |
switch( the_type ){ |
921 |
> |
|
922 |
> |
case STRING: |
923 |
> |
the_event->err_msg = |
924 |
> |
strdup( "Global error. zconsMolIndex is not a int.\n" ); |
925 |
> |
return 0; |
926 |
> |
break; |
927 |
> |
|
928 |
> |
case INT: |
929 |
> |
zconsMolIndex.push_back(the_event->evt.asmt.rhs.ival); |
930 |
> |
have_index_of_all_zcons_mols = 1; |
931 |
> |
return 1; |
932 |
> |
break; |
933 |
> |
|
934 |
> |
default: |
935 |
> |
the_event->err_msg = |
936 |
> |
strdup( "Global error. zconsMolIndex unrecognized.\n" ); |
937 |
> |
return 0; |
938 |
> |
break; |
939 |
> |
} |
940 |
> |
break; |
941 |
|
|
942 |
|
// add more token cases here. |
943 |
|
|