175 |
|
|
176 |
|
StaticAnalyser* analyser; |
177 |
|
if (args_info.gofr_given){ |
178 |
< |
analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
178 |
> |
analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, |
179 |
> |
args_info.nbins_arg); |
180 |
|
} else if (args_info.r_theta_given) { |
181 |
< |
analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
181 |
> |
analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, |
182 |
> |
args_info.nbins_arg, args_info.nanglebins_arg); |
183 |
|
} else if (args_info.r_omega_given) { |
184 |
< |
analyser = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
184 |
> |
analyser = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, |
185 |
> |
args_info.nbins_arg, args_info.nanglebins_arg); |
186 |
|
} else if (args_info.theta_omega_given) { |
187 |
< |
analyser = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg); |
187 |
> |
analyser = new GofAngle2(info, dumpFileName, sele1, sele2, |
188 |
> |
args_info.nanglebins_arg); |
189 |
|
} else if (args_info.gxyz_given) { |
190 |
|
if (args_info.refsele_given) { |
191 |
< |
analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg); |
191 |
> |
analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, |
192 |
> |
maxLen, args_info.nbins_arg); |
193 |
|
} else { |
194 |
|
sprintf( painCave.errMsg, |
195 |
|
"--refsele must set when --gxyz is used"); |
205 |
|
if (args_info.rcut_given && args_info.LegendreL_given) { |
206 |
|
analyser = new BondOrderParameter(info, dumpFileName, sele1, |
207 |
|
args_info.rcut_arg, |
208 |
< |
args_info.LegendreL_arg); |
208 |
> |
args_info.LegendreL_arg, |
209 |
> |
args_info.nbins_arg); |
210 |
|
} else { |
211 |
|
sprintf( painCave.errMsg, |
212 |
|
"Both the cutoff radius (rcut) and LegendreL must be specified when calculating Bond Order Parameters"); |
223 |
|
analyser = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3); |
224 |
|
} |
225 |
|
}else if (args_info.density_given) { |
226 |
< |
analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
226 |
> |
analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, |
227 |
> |
args_info.nbins_arg); |
228 |
|
} else if (args_info.slab_density_given) { |
229 |
|
Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat(); |
230 |
< |
analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg); |
230 |
> |
analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nbins_arg); |
231 |
|
#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |
232 |
|
}else if (args_info.hxy_given) { |
233 |
< |
analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg); |
233 |
> |
analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, |
234 |
> |
args_info.nbins_y_arg, args_info.nbins_arg); |
235 |
|
#endif |
236 |
|
} |
237 |
|
|