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root/OpenMD/trunk/src/applications/staticProps/StaticProps.cpp
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Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 1454 by gezelter, Wed Jun 23 19:25:02 2010 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #include <iostream>
44   #include <fstream>
45   #include <string>
46  
46 – #include "brains/Register.hpp"
47   #include "brains/SimCreator.hpp"
48   #include "brains/SimInfo.hpp"
49   #include "io/DumpReader.hpp"
# Line 64 | Line 64
64   #include "applications/staticProps/RippleOP.hpp"
65   #include "applications/staticProps/SCDOrderParameter.hpp"
66   #include "applications/staticProps/DensityPlot.hpp"
67 + #include "applications/staticProps/ObjectCount.hpp"
68   #include "applications/staticProps/RhoZ.hpp"
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
76   #include "applications/staticProps/RhoR.hpp"
77 + #include "applications/staticProps/AngleR.hpp"
78 + #include "applications/staticProps/TetrahedralityParam.hpp"
79 + #include "applications/staticProps/TetrahedralityParamZ.hpp"
80 + #include "applications/staticProps/RNEMDStats.hpp"
81  
82   using namespace OpenMD;
83  
84   int main(int argc, char* argv[]){
85    
86 <    //register force fields
87 <    registerForceFields();
88 <
89 <    gengetopt_args_info args_info;
90 <
91 <    //parse the command line option
92 <    if (cmdline_parser (argc, argv, &args_info) != 0) {
93 <        exit(1) ;
94 <    }
95 <
96 <    //get the dumpfile name
97 <    std::string dumpFileName = args_info.input_arg;
98 <    std::string sele1;
99 <    std::string sele2;
100 <    bool userSpecifiedSelect1;
101 <    bool userSpecifiedSelect2;
102 <
103 <    // check the first selection argument, or set it to the environment
104 <    // variable, or failing that, set it to "select all"
105 <
106 <    if (args_info.sele1_given) {
107 <        sele1 = args_info.sele1_arg;
86 >  
87 >  gengetopt_args_info args_info;
88 >  
89 >  //parse the command line option
90 >  if (cmdline_parser (argc, argv, &args_info) != 0) {
91 >    exit(1) ;
92 >  }
93 >  
94 >  //get the dumpfile name
95 >  std::string dumpFileName = args_info.input_arg;
96 >  std::string sele1;
97 >  std::string sele2;
98 >  
99 >  // check the first selection argument, or set it to the environment
100 >  // variable, or failing that, set it to "select all"
101 >  
102 >  if (args_info.sele1_given) {
103 >    sele1 = args_info.sele1_arg;
104 >  } else {
105 >    char*  sele1Env= getenv("SELECTION1");
106 >    if (sele1Env) {
107 >      sele1 = sele1Env;
108      } else {
109 <        char*  sele1Env= getenv("SELECTION1");
104 <        if (sele1Env) {
105 <            sele1 = sele1Env;
106 <        } else {
107 <            sele1 = "select all";
108 <        }
109 >      sele1 = "select all";
110      }
111 <
111 <    // check the second selection argument, or set it to the environment
112 <    // variable, or failing that, set it to "select all"
111 >  }
112    
113 <    if (args_info.sele2_given) {
114 <        sele2 = args_info.sele2_arg;
115 <    } else {
116 <        char* sele2Env = getenv("SELECTION1");
117 <        if (sele2Env) {
118 <            sele2 = sele2Env;            
119 <        } else {
120 <            sele2 = "select all";
121 <        }
113 >  // check the second selection argument, or set it to the environment
114 >  // variable, or failing that, set it to "select all"
115 >  
116 >  if (args_info.sele2_given) {
117 >    sele2 = args_info.sele2_arg;
118 >  } else {
119 >    char* sele2Env = getenv("SELECTION1");
120 >    if (sele2Env) {
121 >      sele2 = sele2Env;            
122 >    } else {
123 >      //If sele2 is not specified, then the default behavior
124 >      //should be what is already intended for sele1
125 >      sele2 = sele1;
126      }
127 +  }
128  
129 <
130 <    // Problems if sele1 wasn't specified, but
131 < // if (!args_info.scd_given) {
132 < //       sprintf( painCave.errMsg,
133 < //                "neither --sele1 option nor $SELECTION1 is set");
134 < //       painCave.severity = OPENMD_ERROR;
135 < //       painCave.isFatal = 1;
136 < //       simError();
137 < //     }
134 < //   }
135 <
136 <    // Problems if sele1 wasn't specified
137 <
138 < //     if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
139 < //       sprintf( painCave.errMsg,
140 < //                "neither --sele2 option nor $SELECTION1 is set");
141 < //       painCave.severity = OPENMD_ERROR;
142 < //       painCave.isFatal = 1;
143 < //       simError();        
144 < //     }
145 < //   }
146 <
147 <    bool batchMode;
148 <    if (args_info.scd_given){
149 <        if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
150 <            batchMode = false;
151 <        } else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
152 <            if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
153 <                sprintf( painCave.errMsg,
154 <                         "below conditions are not satisfied:\n"
155 <                         "0 <= begin && 0<= end && begin <= end-2\n");
156 <                painCave.severity = OPENMD_ERROR;
157 <                painCave.isFatal = 1;
158 <                simError();                    
159 <            }
160 <            batchMode = true;        
161 <        } else{
162 <            sprintf( painCave.errMsg,
163 <                     "either --sele1, --sele2, --sele3 are specified,"
164 <                     " or --molname, --begin, --end are specified\n");
165 <            painCave.severity = OPENMD_ERROR;
166 <            painCave.isFatal = 1;
167 <            simError();        
168 <    
169 <        }
170 <    }
171 <
172 <    //parse md file and set up the system
173 <    SimCreator creator;
174 <    std::cout << "dumpFile = " << dumpFileName << "\n";
175 <    SimInfo* info = creator.createSim(dumpFileName);
176 <
177 <    RealType maxLen;
178 <    RealType zmaxLen;
179 <    if (args_info.length_given) {
180 <        maxLen = args_info.length_arg;
181 <        if (args_info.zlength_given){
182 <            zmaxLen = args_info.zlength_arg;
183 <        }
184 <    } else {
185 <        Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
186 <        maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
187 <        zmaxLen = hmat(2,2);    
188 <    }    
189 <
190 <    StaticAnalyser* analyser;
191 <    if (args_info.gofr_given){
192 <        analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen,
193 <                           args_info.nbins_arg);        
194 <    } else if (args_info.gofz_given) {
195 <        analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen,
196 <                           args_info.nbins_arg);
197 <    } else if (args_info.r_z_given) {
198 <        analyser  = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen,
199 <                              args_info.nbins_arg, args_info.nbins_z_arg);
200 <    } else if (args_info.r_theta_given) {
201 <        analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen,
202 <                                  args_info.nbins_arg, args_info.nanglebins_arg);
203 <    } else if (args_info.r_omega_given) {
204 <        analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen,
205 <                                  args_info.nbins_arg, args_info.nanglebins_arg);
206 <    } else if (args_info.theta_omega_given) {
207 <        analyser  = new GofAngle2(info, dumpFileName, sele1, sele2,
208 <                                  args_info.nanglebins_arg);
209 <    } else if (args_info.gxyz_given) {
210 <        if (args_info.refsele_given) {
211 <            analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg,
212 <                                 maxLen, args_info.nbins_arg);        
213 <        } else {
214 <            sprintf( painCave.errMsg,
215 <                     "--refsele must set when --gxyz is used");
216 <            painCave.severity = OPENMD_ERROR;
217 <            painCave.isFatal = 1;
218 <            simError();  
219 <        }
220 <    } else if (args_info.twodgofr_given){
221 <      if (args_info.dz_given) {
222 <        analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen,
223 <                               args_info.dz_arg, args_info.nbins_arg);        
224 <      } else {
129 >  bool batchMode;
130 >  if (args_info.scd_given){
131 >    if (args_info.sele1_given &&
132 >        args_info.sele2_given && args_info.sele3_given) {
133 >      batchMode = false;
134 >    } else if (args_info.molname_given &&
135 >               args_info.begin_given && args_info.end_given) {
136 >      if (args_info.begin_arg < 0 ||
137 >          args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
138          sprintf( painCave.errMsg,
139 <                 "A slab width (dz) must be specified when calculating TwoDGofR");
139 >                 "below conditions are not satisfied:\n"
140 >                 "0 <= begin && 0<= end && begin <= end-2\n");
141          painCave.severity = OPENMD_ERROR;
142          painCave.isFatal = 1;
143 <        simError();
143 >        simError();                    
144        }
145 <    } else if (args_info.p2_given) {
146 <        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
147 <    } else if (args_info.rp2_given){
148 <        analyser = new RippleOP(info, dumpFileName, sele1, sele2);
149 <    } else if (args_info.bo_given){
150 <        if (args_info.rcut_given) {
151 <            analyser = new BondOrderParameter(info, dumpFileName, sele1,
152 <                                              args_info.rcut_arg,
239 <                                              args_info.nbins_arg);
240 <        } else {
241 <            sprintf( painCave.errMsg,
242 <                     "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
243 <            painCave.severity = OPENMD_ERROR;
244 <            painCave.isFatal = 1;
245 <            simError();
246 <        }
247 <    } else if (args_info.bor_given){
248 <        if (args_info.rcut_given) {
249 <            analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg,
250 <                                  args_info.nbins_arg, maxLen);
251 <        } else {
252 <            sprintf( painCave.errMsg,
253 <                     "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
254 <            painCave.severity = OPENMD_ERROR;
255 <            painCave.isFatal = 1;
256 <            simError();
257 <        }
258 <    } else if (args_info.bad_given){
259 <        if (args_info.rcut_given) {
260 <            analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg,
261 <                                                 args_info.nbins_arg);
262 <        } else {
263 <            sprintf( painCave.errMsg,
264 <                     "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
265 <            painCave.severity = OPENMD_ERROR;
266 <            painCave.isFatal = 1;
267 <            simError();
268 <        }
269 <    } else if (args_info.scd_given) {
270 <        if (batchMode) {
271 <            analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
272 <                                              args_info.begin_arg, args_info.end_arg);
273 <        } else{
274 <            std::string sele3 = args_info.sele3_arg;
275 <            analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
276 <        }
277 <    }else if (args_info.density_given) {
278 <        analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
279 <                                  args_info.nbins_arg);  
280 <    } else if (args_info.slab_density_given) {
281 <        analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
282 <    } else if (args_info.p_angle_given) {
283 <        analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg);
284 < #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
285 <    }else if (args_info.hxy_given) {
286 <        analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
287 <                           args_info.nbins_y_arg, args_info.nbins_arg);
288 < #endif
289 <    }else if (args_info.rho_r_given) {
290 <        if (args_info.radius_given){
291 <            analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
292 <        }else{
293 <            sprintf( painCave.errMsg,
294 <                     "A particle radius (radius) must be specified when calculating Rho(r)");
295 <            painCave.severity = OPENMD_ERROR;
296 <            painCave.isFatal = 1;
297 <            simError();
298 <        }
299 <    }else if (args_info.hullvol_given) {
300 <        analyser = new NanoVolume(info, dumpFileName, sele1);
145 >      batchMode = true;        
146 >    } else{
147 >      sprintf( painCave.errMsg,
148 >               "either --sele1, --sele2, --sele3 are specified,"
149 >               " or --molname, --begin, --end are specified\n");
150 >      painCave.severity = OPENMD_ERROR;
151 >      painCave.isFatal = 1;
152 >      simError();
153      }
154 +  }
155    
156 <    if (args_info.output_given) {
157 <        analyser->setOutputName(args_info.output_arg);
156 >  //parse md file and set up the system
157 >  SimCreator creator;
158 >  SimInfo* info = creator.createSim(dumpFileName);
159 >
160 >  RealType maxLen;
161 >  RealType zmaxLen;
162 >  if (args_info.length_given) {
163 >    maxLen = args_info.length_arg;
164 >    if (args_info.zlength_given){
165 >      zmaxLen = args_info.zlength_arg;
166      }
167 <    if (args_info.step_given) {
168 <        analyser->setStep(args_info.step_arg);
167 >  } else {
168 >    Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
169 >    maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
170 >    zmaxLen = hmat(2,2);    
171 >  }    
172 >  
173 >  StaticAnalyser* analyser;
174 >  if (args_info.gofr_given){
175 >    analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen,
176 >                       args_info.nbins_arg);        
177 >  } else if (args_info.gofz_given) {
178 >    analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen,
179 >                       args_info.nbins_arg);
180 >  } else if (args_info.r_z_given) {
181 >    analyser  = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen,
182 >                          args_info.nbins_arg, args_info.nbins_z_arg);
183 >  } else if (args_info.r_theta_given) {
184 >    analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen,
185 >                              args_info.nbins_arg, args_info.nanglebins_arg);
186 >  } else if (args_info.r_omega_given) {
187 >    analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen,
188 >                              args_info.nbins_arg, args_info.nanglebins_arg);
189 >  } else if (args_info.theta_omega_given) {
190 >    analyser  = new GofAngle2(info, dumpFileName, sele1, sele2,
191 >                              args_info.nanglebins_arg);
192 >  } else if (args_info.gxyz_given) {
193 >    if (args_info.refsele_given) {
194 >      analyser= new GofXyz(info, dumpFileName, sele1, sele2,
195 >                           args_info.refsele_arg, maxLen, args_info.nbins_arg);
196 >    } else {
197 >      sprintf( painCave.errMsg,
198 >               "--refsele must set when --gxyz is used");
199 >      painCave.severity = OPENMD_ERROR;
200 >      painCave.isFatal = 1;
201 >      simError();  
202      }
203 <
204 <    analyser->process();
205 <
206 <    delete analyser;    
207 <    delete info;
208 <
209 <    return 0;  
203 >  } else if (args_info.twodgofr_given){
204 >    if (args_info.dz_given) {
205 >      analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen,
206 >                             args_info.dz_arg, args_info.nbins_arg);        
207 >    } else {
208 >      sprintf( painCave.errMsg,
209 >               "A slab width (dz) must be specified when calculating TwoDGofR");
210 >      painCave.severity = OPENMD_ERROR;
211 >      painCave.isFatal = 1;
212 >      simError();
213 >    }    
214 >  } else if (args_info.p2_given) {
215 >    if (args_info.sele1_given) {    
216 >      if (args_info.sele2_given)
217 >        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
218 >      else
219 >        if (args_info.seleoffset_given)
220 >          analyser  = new P2OrderParameter(info, dumpFileName, sele1,
221 >                                           args_info.seleoffset_arg);
222 >        else
223 >          analyser  = new P2OrderParameter(info, dumpFileName, sele1);
224 >    } else {
225 >      sprintf( painCave.errMsg,
226 >               "At least one selection script (--sele1) must be specified when calculating P2 order parameters");
227 >      painCave.severity = OPENMD_ERROR;
228 >      painCave.isFatal = 1;
229 >      simError();
230 >    }
231 >  } else if (args_info.rp2_given){
232 >    analyser = new RippleOP(info, dumpFileName, sele1, sele2);
233 >  } else if (args_info.bo_given){
234 >    if (args_info.rcut_given) {
235 >      analyser = new BondOrderParameter(info, dumpFileName, sele1,
236 >                                        args_info.rcut_arg,
237 >                                        args_info.nbins_arg);
238 >    } else {
239 >      sprintf( painCave.errMsg,
240 >               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
241 >      painCave.severity = OPENMD_ERROR;
242 >      painCave.isFatal = 1;
243 >      simError();
244 >    }
245 >    
246 >  } else if (args_info.tet_param_given) {
247 >    if (args_info.rcut_given) {  
248 >      analyser = new TetrahedralityParam(info, dumpFileName, sele1,
249 >                                         args_info.rcut_arg,
250 >                                         args_info.nbins_arg);
251 >    } else {
252 >      sprintf( painCave.errMsg,
253 >               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
254 >      painCave.severity = OPENMD_ERROR;
255 >      painCave.isFatal = 1;
256 >      simError();
257 >    }
258 >  } else if (args_info.tet_param_z_given) {
259 >    if (args_info.rcut_given) {  
260 >      analyser = new TetrahedralityParamZ(info, dumpFileName, sele1, sele2,
261 >                                          args_info.rcut_arg,
262 >                                          args_info.nbins_arg);
263 >    } else {
264 >      sprintf( painCave.errMsg,
265 >               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
266 >      painCave.severity = OPENMD_ERROR;
267 >      painCave.isFatal = 1;
268 >      simError();
269 >    }
270 >  } else if (args_info.bor_given){
271 >    if (args_info.rcut_given) {
272 >      analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg,
273 >                            args_info.nbins_arg, maxLen);
274 >    } else {
275 >      sprintf( painCave.errMsg,
276 >               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
277 >      painCave.severity = OPENMD_ERROR;
278 >      painCave.isFatal = 1;
279 >      simError();
280 >    }
281 >  } else if (args_info.bad_given){
282 >    if (args_info.rcut_given) {
283 >      analyser = new BondAngleDistribution(info, dumpFileName, sele1,
284 >                                           args_info.rcut_arg,
285 >                                           args_info.nbins_arg);
286 >    } else {
287 >      sprintf( painCave.errMsg,
288 >               "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
289 >      painCave.severity = OPENMD_ERROR;
290 >      painCave.isFatal = 1;
291 >      simError();
292 >    }
293 >  } else if (args_info.scd_given) {
294 >    if (batchMode) {
295 >      analyser  = new SCDOrderParameter(info, dumpFileName,
296 >                                        args_info.molname_arg,
297 >                                        args_info.begin_arg, args_info.end_arg);
298 >    } else{
299 >      std::string sele3 = args_info.sele3_arg;
300 >      analyser  = new SCDOrderParameter(info, dumpFileName,
301 >                                        sele1, sele2, sele3);
302 >    }
303 >  }else if (args_info.density_given) {
304 >    analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
305 >                              args_info.nbins_arg);  
306 >  } else if (args_info.count_given) {
307 >    analyser = new ObjectCount(info, dumpFileName, sele1 );
308 >  } else if (args_info.slab_density_given) {
309 >    analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
310 >  } else if (args_info.rnemdz_given) {
311 >    analyser = new RNEMDZ(info, dumpFileName, sele1, args_info.nbins_arg);
312 >  } else if (args_info.rnemdr_given) {
313 >    analyser = new RNEMDR(info, dumpFileName, sele1, args_info.nbins_arg);
314 >  } else if (args_info.p_angle_given) {
315 >    analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg);
316 > #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
317 >  }else if (args_info.hxy_given) {
318 >    analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
319 >                       args_info.nbins_y_arg, args_info.nbins_arg);
320 > #endif
321 >  }else if (args_info.rho_r_given) {
322 >    if (args_info.radius_given){
323 >      analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
324 >    }else{
325 >      sprintf( painCave.errMsg,
326 >               "A particle radius (radius) must be specified when calculating Rho(r)");
327 >      painCave.severity = OPENMD_ERROR;
328 >      painCave.isFatal = 1;
329 >      simError();
330 >    }
331 >  } else if (args_info.hullvol_given) {
332 >    analyser = new NanoVolume(info, dumpFileName, sele1);
333 >  } else if (args_info.rodlength_given) {
334 >    analyser = new NanoLength(info, dumpFileName, sele1);
335 >  } else if (args_info.angle_r_given) {
336 >    analyser = new AngleR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg);
337 >  }
338 >  
339 >  if (args_info.output_given) {
340 >    analyser->setOutputName(args_info.output_arg);
341 >  }
342 >  if (args_info.step_given) {
343 >    analyser->setStep(args_info.step_arg);
344 >  }
345 >  
346 >  analyser->process();
347 >  
348 >  delete analyser;    
349 >  delete info;
350 >  
351 >  return 0;  
352   }
317 –

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