| 69 |
|
#include "applications/staticProps/pAngle.hpp" |
| 70 |
|
#include "applications/staticProps/BondAngleDistribution.hpp" |
| 71 |
|
#include "applications/staticProps/NanoVolume.hpp" |
| 72 |
+ |
#include "applications/staticProps/NanoLength.hpp" |
| 73 |
|
#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |
| 74 |
|
#include "applications/staticProps/Hxy.hpp" |
| 75 |
|
#endif |
| 234 |
|
simError(); |
| 235 |
|
} |
| 236 |
|
} else if (args_info.p2_given) { |
| 237 |
< |
analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); |
| 237 |
> |
if (args_info.sele1_given) { |
| 238 |
> |
if (args_info.sele2_given) |
| 239 |
> |
analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); |
| 240 |
> |
else |
| 241 |
> |
analyser = new P2OrderParameter(info, dumpFileName, sele1); |
| 242 |
> |
} else { |
| 243 |
> |
sprintf( painCave.errMsg, |
| 244 |
> |
"At least one selection script (--sele1) must be specified when calculating P2 order parameters"); |
| 245 |
> |
painCave.severity = OPENMD_ERROR; |
| 246 |
> |
painCave.isFatal = 1; |
| 247 |
> |
simError(); |
| 248 |
> |
} |
| 249 |
|
} else if (args_info.rp2_given){ |
| 250 |
|
analyser = new RippleOP(info, dumpFileName, sele1, sele2); |
| 251 |
|
} else if (args_info.bo_given){ |
| 329 |
|
} |
| 330 |
|
} else if (args_info.hullvol_given) { |
| 331 |
|
analyser = new NanoVolume(info, dumpFileName, sele1); |
| 332 |
+ |
} else if (args_info.rodlength_given) { |
| 333 |
+ |
analyser = new NanoLength(info, dumpFileName, sele1); |
| 334 |
|
} else if (args_info.angle_r_given) { |
| 335 |
|
analyser = new AngleR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg); |
| 336 |
|
} |
