120 |
|
#define G_ELECTRO_SUM_METHOD 58 |
121 |
|
#define G_DAMPING_ALPHA 59 |
122 |
|
#define G_CUTOFFPOLICY 60 |
123 |
+ |
#define G_COMPRESSDUMPFILE 61 |
124 |
|
|
125 |
|
Globals::Globals(){ |
126 |
|
initalize(); |
199 |
|
command_table.insert(CommandMapType::value_type("electrostaticSummationMethod", G_ELECTRO_SUM_METHOD)); |
200 |
|
command_table.insert(CommandMapType::value_type("dampingAlpha", G_DAMPING_ALPHA)); |
201 |
|
command_table.insert(CommandMapType::value_type("cutoffPolicy", G_CUTOFFPOLICY)); |
202 |
+ |
command_table.insert(CommandMapType::value_type("compressDumpFile", G_COMPRESSDUMPFILE)); |
203 |
|
|
204 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
205 |
|
usePBC = 1; //default periodic boundry conditions to on |
209 |
|
useSolidThermInt = 0; // default solid-state thermodynamic integration to off |
210 |
|
useLiquidThermInt = 0; // default liquid thermodynamic integration to off |
211 |
|
dampingAlpha = 1.5; // default damping parameter in Wolf Electrostatics |
212 |
+ |
compressDumpFile = 0; // default compressDumpFile set to off |
213 |
|
|
214 |
|
have_force_field = 0; |
215 |
|
have_n_components = 0; |
267 |
|
have_electro_sum_method = 0; |
268 |
|
have_damping_alpha = 0; |
269 |
|
have_cutoff_policy = 0; |
270 |
+ |
have_compress_dumpfile = 0; |
271 |
|
} |
272 |
|
|
273 |
|
int Globals::newComponent( event* the_event ){ |
1888 |
|
return 0; |
1889 |
|
break; |
1890 |
|
|
1891 |
+ |
case G_COMPRESSDUMPFILE: |
1892 |
+ |
if( the_type == STRING ){ |
1893 |
+ |
|
1894 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) { |
1895 |
+ |
have_compress_dumpfile = 1; |
1896 |
+ |
compressDumpFile = 1; |
1897 |
+ |
} else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) { |
1898 |
+ |
have_compress_dumpfile= 1; |
1899 |
+ |
compressDumpFile = 0; |
1900 |
+ |
} else{ |
1901 |
+ |
the_event->err_msg = |
1902 |
+ |
strdup( "Error in parsing meta-data file!\n\tcompressDumpFile was not \"true\" or \"false\".\n" ); |
1903 |
+ |
return 0; |
1904 |
+ |
} |
1905 |
+ |
return 1; |
1906 |
+ |
} |
1907 |
+ |
|
1908 |
+ |
the_event->err_msg = |
1909 |
+ |
strdup( "Error in parsing meta-data file!\n\tcompressDumpFile was not \"true\" or \"false\".\n" ); |
1910 |
+ |
return 0; |
1911 |
+ |
break; |
1912 |
+ |
|
1913 |
+ |
|
1914 |
|
case G_ELECTRO_SUM_METHOD: |
1915 |
|
switch( the_type ){ |
1916 |
|
|