57 |
|
#include "applications/staticProps/GofXyz.hpp" |
58 |
|
#include "applications/staticProps/P2OrderParameter.hpp" |
59 |
|
#include "applications/staticProps/SCDOrderParameter.hpp" |
60 |
+ |
#include "applications/staticProps/DensityPlot.hpp" |
61 |
+ |
#include "applications/staticProps/RhoZ.hpp" |
62 |
|
|
63 |
|
using namespace oopse; |
64 |
|
|
90 |
|
char* sele1Env= getenv("OOPSE_SELE1"); |
91 |
|
if (sele1Env) { |
92 |
|
sele1 = sele1Env; |
93 |
< |
}else { |
93 |
> |
}else if (!args_info.scd_given) { |
94 |
|
sprintf( painCave.errMsg, |
95 |
|
"neither --sele1 option nor $OOPSE_SELE1 is set"); |
96 |
|
painCave.severity = OOPSE_ERROR; |
105 |
|
char* sele2Env = getenv("OOPSE_SELE2"); |
106 |
|
if (sele2Env) { |
107 |
|
sele2 = sele2Env; |
108 |
< |
} else { |
108 |
> |
} else if (args_info.density_given) { |
109 |
> |
sele2 = "select all"; |
110 |
> |
} else if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given) { |
111 |
|
sprintf( painCave.errMsg, |
112 |
|
"neither --sele2 option nor $OOPSE_SELE2 is set"); |
113 |
|
painCave.severity = OOPSE_ERROR; |
182 |
|
std::string sele3 = args_info.sele3_arg; |
183 |
|
analyser = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3); |
184 |
|
} |
185 |
+ |
}else if (args_info.density_given) { |
186 |
+ |
analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
187 |
+ |
} else if (args_info.slab_density_given) { |
188 |
+ |
Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat(); |
189 |
+ |
analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg); |
190 |
|
} |
191 |
|
|
192 |
|
if (args_info.output_given) { |