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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 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

# Line 36 | Line 36
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).                        
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 <
77 > #include "applications/staticProps/AngleR.hpp"
78 > #include "applications/staticProps/TetrahedralityParam.hpp"
79 > #include "applications/staticProps/TetrahedralityParamZ.hpp"
80   using namespace OpenMD;
81  
82   int main(int argc, char* argv[]){
83    
84 <    //register force fields
85 <    registerForceFields();
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 <    bool userSpecifiedSelect1;
99 <    bool userSpecifiedSelect2;
100 <
101 <    // check the first selection argument, or set it to the environment
102 <    // variable, or failing that, set it to "select all"
103 <
104 <    if (args_info.sele1_given) {
105 <        sele1 = args_info.sele1_arg;
84 >  
85 >  gengetopt_args_info args_info;
86 >  
87 >  //parse the command line option
88 >  if (cmdline_parser (argc, argv, &args_info) != 0) {
89 >    exit(1) ;
90 >  }
91 >  
92 >  //get the dumpfile name
93 >  std::string dumpFileName = args_info.input_arg;
94 >  std::string sele1;
95 >  std::string sele2;
96 >  
97 >  // check the first selection argument, or set it to the environment
98 >  // variable, or failing that, set it to "select all"
99 >  
100 >  if (args_info.sele1_given) {
101 >    sele1 = args_info.sele1_arg;
102 >  } else {
103 >    char*  sele1Env= getenv("SELECTION1");
104 >    if (sele1Env) {
105 >      sele1 = sele1Env;
106      } else {
107 <        char*  sele1Env= getenv("SELECTION1");
104 <        if (sele1Env) {
105 <            sele1 = sele1Env;
106 <        } else {
107 <            sele1 = "select all";
108 <        }
107 >      sele1 = "select all";
108      }
109 <
111 <    // check the second selection argument, or set it to the environment
112 <    // variable, or failing that, set it to "select all"
109 >  }
110    
111 <    if (args_info.sele2_given) {
112 <        sele2 = args_info.sele2_arg;
113 <    } else {
114 <        char* sele2Env = getenv("SELECTION1");
115 <        if (sele2Env) {
116 <            sele2 = sele2Env;            
117 <        } else {
118 <            sele2 = "select all";
119 <        }
111 >  // check the second selection argument, or set it to the environment
112 >  // variable, or failing that, set it to "select all"
113 >  
114 >  if (args_info.sele2_given) {
115 >    sele2 = args_info.sele2_arg;
116 >  } else {
117 >    char* sele2Env = getenv("SELECTION1");
118 >    if (sele2Env) {
119 >      sele2 = sele2Env;            
120 >    } else {
121 >      sele2 = "select all";
122      }
123 <
124 <
125 <    // Problems if sele1 wasn't specified, but
126 < // if (!args_info.scd_given) {
127 < //       sprintf( painCave.errMsg,
128 < //                "neither --sele1 option nor $SELECTION1 is set");
129 < //       painCave.severity = OPENMD_ERROR;
130 < //       painCave.isFatal = 1;
131 < //       simError();
132 < //     }
133 < //   }
134 <
135 <    // Problems if sele1 wasn't specified
136 <
137 < //     if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
138 < //       sprintf( painCave.errMsg,
139 < //                "neither --sele2 option nor $SELECTION1 is set");
140 < //       painCave.severity = OPENMD_ERROR;
141 < //       painCave.isFatal = 1;
142 < //       simError();        
143 < //     }
144 < //   }
145 <
146 <    bool batchMode;
147 <    if (args_info.scd_given){
148 <        if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
149 <            batchMode = false;
150 <        } else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
151 <            if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
152 <                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 {
123 >  }
124 >  
125 >  
126 >  // Problems if sele1 wasn't specified, but
127 >  // if (!args_info.scd_given) {
128 >  //       sprintf( painCave.errMsg,
129 >  //                "neither --sele1 option nor $SELECTION1 is set");
130 >  //       painCave.severity = OPENMD_ERROR;
131 >  //       painCave.isFatal = 1;
132 >  //       simError();
133 >  //     }
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 <                 "A slab width (dz) must be specified when calculating TwoDGofR");
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();
158 >        simError();                    
159        }
160 <    } else if (args_info.p2_given) {
161 <        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
162 <    } else if (args_info.rp2_given){
163 <        analyser = new RippleOP(info, dumpFileName, sele1, sele2);
164 <    } else if (args_info.bo_given){
165 <        if (args_info.rcut_given) {
166 <            analyser = new BondOrderParameter(info, dumpFileName, sele1,
167 <                                              args_info.rcut_arg,
168 <                                              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);
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 <    if (args_info.output_given) {
173 <        analyser->setOutputName(args_info.output_arg);
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 <    if (args_info.step_given) {
185 <        analyser->setStep(args_info.step_arg);
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 {
225 +      sprintf( painCave.errMsg,
226 +               "A slab width (dz) must be specified when calculating TwoDGofR");
227 +      painCave.severity = OPENMD_ERROR;
228 +      painCave.isFatal = 1;
229 +      simError();
230 +    }    
231 +  } else if (args_info.p2_given) {
232 +    if (args_info.sele1_given) {    
233 +      if (args_info.sele2_given)
234 +        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
235 +      else
236 +        analyser  = new P2OrderParameter(info, dumpFileName, sele1);
237 +    } else {
238 +      sprintf( painCave.errMsg,
239 +               "At least one selection script (--sele1) must be specified when calculating P2 order parameters");
240 +      painCave.severity = OPENMD_ERROR;
241 +      painCave.isFatal = 1;
242 +      simError();
243 +    }
244 +  } else if (args_info.rp2_given){
245 +    analyser = new RippleOP(info, dumpFileName, sele1, sele2);
246 +  } else if (args_info.bo_given){
247 +    if (args_info.rcut_given) {
248 +      analyser = new BondOrderParameter(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 Bond Order Parameters");
254 +      painCave.severity = OPENMD_ERROR;
255 +      painCave.isFatal = 1;
256 +      simError();
257 +    }
258 +    
259 +  } else if (args_info.tet_param_given) {
260 +    if (args_info.rcut_given) {  
261 +      analyser = new TetrahedralityParam(info, dumpFileName, sele1,
262 +                                         args_info.rcut_arg,
263 +                                         args_info.nbins_arg);
264 +    } else {
265 +      sprintf( painCave.errMsg,
266 +               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
267 +      painCave.severity = OPENMD_ERROR;
268 +      painCave.isFatal = 1;
269 +      simError();
270 +    }
271 +  } else if (args_info.tet_param_z_given) {
272 +    if (args_info.rcut_given) {  
273 +      analyser = new TetrahedralityParamZ(info, dumpFileName, sele1,
274 +                                         args_info.rcut_arg,
275 +                                         args_info.nbins_arg);
276 +    } else {
277 +      sprintf( painCave.errMsg,
278 +               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
279 +      painCave.severity = OPENMD_ERROR;
280 +      painCave.isFatal = 1;
281 +      simError();
282 +    }
283 +  } else if (args_info.bor_given){
284 +    if (args_info.rcut_given) {
285 +      analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg,
286 +                            args_info.nbins_arg, maxLen);
287 +    } else {
288 +      sprintf( painCave.errMsg,
289 +               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
290 +      painCave.severity = OPENMD_ERROR;
291 +      painCave.isFatal = 1;
292 +      simError();
293 +    }
294 +  } else if (args_info.bad_given){
295 +    if (args_info.rcut_given) {
296 +      analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg,
297 +                                           args_info.nbins_arg);
298 +    } else {
299 +      sprintf( painCave.errMsg,
300 +               "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
301 +      painCave.severity = OPENMD_ERROR;
302 +      painCave.isFatal = 1;
303 +      simError();
304 +      }
305 +  } else if (args_info.scd_given) {
306 +    if (batchMode) {
307 +      analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
308 +                                        args_info.begin_arg, args_info.end_arg);
309 +    } else{
310 +      std::string sele3 = args_info.sele3_arg;
311 +      analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
312 +    }
313 +  }else if (args_info.density_given) {
314 +    analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
315 +                              args_info.nbins_arg);  
316 +  } else if (args_info.count_given) {
317 +    analyser = new ObjectCount(info, dumpFileName, sele1 );
318 +  } else if (args_info.slab_density_given) {
319 +    analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
320 +  } else if (args_info.p_angle_given) {
321 +    analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg);
322 + #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
323 +  }else if (args_info.hxy_given) {
324 +    analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
325 +                       args_info.nbins_y_arg, args_info.nbins_arg);
326 + #endif
327 +  }else if (args_info.rho_r_given) {
328 +    if (args_info.radius_given){
329 +      analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
330 +    }else{
331 +      sprintf( painCave.errMsg,
332 +               "A particle radius (radius) must be specified when calculating Rho(r)");
333 +      painCave.severity = OPENMD_ERROR;
334 +      painCave.isFatal = 1;
335 +      simError();
336 +    }
337 +  } else if (args_info.hullvol_given) {
338 +    analyser = new NanoVolume(info, dumpFileName, sele1);
339 +  } else if (args_info.rodlength_given) {
340 +    analyser = new NanoLength(info, dumpFileName, sele1);
341 +  } else if (args_info.angle_r_given) {
342 +    analyser = new AngleR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg);
343 +  }
344 +    
345 +  if (args_info.output_given) {
346 +    analyser->setOutputName(args_info.output_arg);
347 +  }
348 +  if (args_info.step_given) {
349 +    analyser->setStep(args_info.step_arg);
350 +  }
351 +
352 +  analyser->process();
353 +  
354 +  delete analyser;    
355 +  delete info;
356  
357 <    analyser->process();
311 <
312 <    delete analyser;    
313 <    delete info;
314 <
315 <    return 0;  
357 >  return 0;  
358   }
359  

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