ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/StaticProps.cpp
(Generate patch)

Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 1445 by chuckv, Tue Jun 8 20:26:50 2010 UTC vs.
Revision 1819 by gezelter, Thu Dec 13 16:57:39 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 57 | Line 57
57   #include "applications/staticProps/GofRAngle.hpp"
58   #include "applications/staticProps/GofAngle2.hpp"
59   #include "applications/staticProps/GofXyz.hpp"
60 + #include "applications/staticProps/TwoDGofR.hpp"
61   #include "applications/staticProps/P2OrderParameter.hpp"
62   #include "applications/staticProps/BondOrderParameter.hpp"
63   #include "applications/staticProps/BOPofR.hpp"
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");
103 <        if (sele1Env) {
104 <            sele1 = sele1Env;
105 <        } else {
106 <            sele1 = "select all";
107 <        }
107 >      sele1 = "select all";
108      }
109 <
110 <    // check the second selection argument, or set it to the environment
111 <    // 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 >      //If sele2 is not specified, then the default behavior
122 >      //should be what is already intended for sele1
123 >      sele2 = sele1;
124 >      //sele2 = "select all";
125      }
126 <
127 <
128 <    // Problems if sele1 wasn't specified, but
129 < // if (!args_info.scd_given) {
130 < //       sprintf( painCave.errMsg,
131 < //                "neither --sele1 option nor $SELECTION1 is set");
132 < //       painCave.severity = OPENMD_ERROR;
133 < //       painCave.isFatal = 1;
134 < //       simError();
135 < //     }
136 < //   }
137 <
138 <    // Problems if sele1 wasn't specified
139 <
140 < //     if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
141 < //       sprintf( painCave.errMsg,
142 < //                "neither --sele2 option nor $SELECTION1 is set");
143 < //       painCave.severity = OPENMD_ERROR;
144 < //       painCave.isFatal = 1;
145 < //       simError();        
146 < //     }
147 < //   }
148 <
149 <    bool batchMode;
150 <    if (args_info.scd_given){
151 <        if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
152 <            batchMode = false;
153 <        } else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
154 <            if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
155 <                sprintf( painCave.errMsg,
156 <                         "below conditions are not satisfied:\n"
157 <                         "0 <= begin && 0<= end && begin <= end-2\n");
158 <                painCave.severity = OPENMD_ERROR;
159 <                painCave.isFatal = 1;
160 <                simError();                    
161 <            }
162 <            batchMode = true;        
163 <        } else{
164 <            sprintf( painCave.errMsg,
165 <                     "either --sele1, --sele2, --sele3 are specified,"
166 <                     " or --molname, --begin, --end are specified\n");
167 <            painCave.severity = OPENMD_ERROR;
168 <            painCave.isFatal = 1;
169 <            simError();        
170 <    
171 <        }
126 >  }
127 >  
128 >  
129 >  // Problems if sele1 wasn't specified, but
130 >  // if (!args_info.scd_given) {
131 >  //       sprintf( painCave.errMsg,
132 >  //                "neither --sele1 option nor $SELECTION1 is set");
133 >  //       painCave.severity = OPENMD_ERROR;
134 >  //       painCave.isFatal = 1;
135 >  //       simError();
136 >  //     }
137 >  //   }
138 >  
139 >  // Problems if sele1 wasn't specified
140 >  
141 >  //     if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
142 >  //       sprintf( painCave.errMsg,
143 >  //                "neither --sele2 option nor $SELECTION1 is set");
144 >  //       painCave.severity = OPENMD_ERROR;
145 >  //       painCave.isFatal = 1;
146 >  //       simError();        
147 >  //     }
148 >  //   }
149 >  
150 >  bool batchMode;
151 >  if (args_info.scd_given){
152 >    if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
153 >      batchMode = false;
154 >    } else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
155 >      if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
156 >        sprintf( painCave.errMsg,
157 >                 "below conditions are not satisfied:\n"
158 >                 "0 <= begin && 0<= end && begin <= end-2\n");
159 >        painCave.severity = OPENMD_ERROR;
160 >        painCave.isFatal = 1;
161 >        simError();                    
162 >      }
163 >      batchMode = true;        
164 >    } else{
165 >      sprintf( painCave.errMsg,
166 >               "either --sele1, --sele2, --sele3 are specified,"
167 >               " or --molname, --begin, --end are specified\n");
168 >      painCave.severity = OPENMD_ERROR;
169 >      painCave.isFatal = 1;
170 >      simError();        
171 >      
172      }
173 +  }
174 +  
175 +  //parse md file and set up the system
176 +  SimCreator creator;
177 +  std::cout << "dumpFile = " << dumpFileName << "\n";
178 +  SimInfo* info = creator.createSim(dumpFileName);
179  
180 <    //parse md file and set up the system
181 <    SimCreator creator;
182 <    std::cout << "dumpFile = " << dumpFileName << "\n";
183 <    SimInfo* info = creator.createSim(dumpFileName);
184 <
185 <    RealType maxLen;
186 <    RealType zmaxLen;
187 <    if (args_info.length_given) {
188 <        maxLen = args_info.length_arg;
189 <        if (args_info.zlength_given){
190 <            zmaxLen = args_info.zlength_arg;
191 <        }
180 >  RealType maxLen;
181 >  RealType zmaxLen;
182 >  if (args_info.length_given) {
183 >    maxLen = args_info.length_arg;
184 >    if (args_info.zlength_given){
185 >      zmaxLen = args_info.zlength_arg;
186 >    }
187 >  } else {
188 >    Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
189 >    maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
190 >    zmaxLen = hmat(2,2);    
191 >  }    
192 >  
193 >  StaticAnalyser* analyser;
194 >  if (args_info.gofr_given){
195 >    analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen,
196 >                       args_info.nbins_arg);        
197 >  } else if (args_info.gofz_given) {
198 >    analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen,
199 >                       args_info.nbins_arg);
200 >  } else if (args_info.r_z_given) {
201 >    analyser  = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen,
202 >                          args_info.nbins_arg, args_info.nbins_z_arg);
203 >  } else if (args_info.r_theta_given) {
204 >    analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen,
205 >                              args_info.nbins_arg, args_info.nanglebins_arg);
206 >  } else if (args_info.r_omega_given) {
207 >    analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen,
208 >                              args_info.nbins_arg, args_info.nanglebins_arg);
209 >  } else if (args_info.theta_omega_given) {
210 >    analyser  = new GofAngle2(info, dumpFileName, sele1, sele2,
211 >                              args_info.nanglebins_arg);
212 >  } else if (args_info.gxyz_given) {
213 >    if (args_info.refsele_given) {
214 >      analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg,
215 >                           maxLen, args_info.nbins_arg);        
216      } else {
217 <        Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
218 <        maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
219 <        zmaxLen = hmat(2,2);    
217 >      sprintf( painCave.errMsg,
218 >               "--refsele must set when --gxyz is used");
219 >      painCave.severity = OPENMD_ERROR;
220 >      painCave.isFatal = 1;
221 >      simError();  
222 >    }
223 >  } else if (args_info.twodgofr_given){
224 >    if (args_info.dz_given) {
225 >      analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen,
226 >                             args_info.dz_arg, args_info.nbins_arg);        
227 >    } else {
228 >      sprintf( painCave.errMsg,
229 >               "A slab width (dz) must be specified when calculating TwoDGofR");
230 >      painCave.severity = OPENMD_ERROR;
231 >      painCave.isFatal = 1;
232 >      simError();
233      }    
234 <
235 <    StaticAnalyser* analyser;
236 <    if (args_info.gofr_given){
237 <        analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen,
238 <                           args_info.nbins_arg);        
239 <    } else if (args_info.gofz_given) {
240 <        analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen,
241 <                           args_info.nbins_arg);
242 <    } else if (args_info.r_z_given) {
243 <        analyser  = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen,
244 <                              args_info.nbins_arg, args_info.nbins_z_arg);
245 <    } else if (args_info.r_theta_given) {
246 <        analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen,
247 <                                  args_info.nbins_arg, args_info.nanglebins_arg);
248 <    } else if (args_info.r_omega_given) {
249 <        analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen,
250 <                                  args_info.nbins_arg, args_info.nanglebins_arg);
251 <    } else if (args_info.theta_omega_given) {
252 <        analyser  = new GofAngle2(info, dumpFileName, sele1, sele2,
253 <                                  args_info.nanglebins_arg);
254 <    } else if (args_info.gxyz_given) {
255 <        if (args_info.refsele_given) {
256 <            analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg,
257 <                                 maxLen, args_info.nbins_arg);        
258 <        } else {
259 <            sprintf( painCave.errMsg,
260 <                     "--refsele must set when --gxyz is used");
261 <            painCave.severity = OPENMD_ERROR;
262 <            painCave.isFatal = 1;
263 <            simError();  
264 <        }
265 <    } else if (args_info.p2_given) {
266 <        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
267 <    } else if (args_info.rp2_given){
268 <        analyser = new RippleOP(info, dumpFileName, sele1, sele2);
269 <    } else if (args_info.bo_given){
270 <        if (args_info.rcut_given) {
271 <            analyser = new BondOrderParameter(info, dumpFileName, sele1,
272 <                                              args_info.rcut_arg,
273 <                                              args_info.nbins_arg);
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.bor_given){
282 <        if (args_info.rcut_given) {
283 <            analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg,
284 <                                  args_info.nbins_arg, maxLen);
285 <        } else {
286 <            sprintf( painCave.errMsg,
287 <                     "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
288 <            painCave.severity = OPENMD_ERROR;
289 <            painCave.isFatal = 1;
290 <            simError();
291 <        }
292 <    } else if (args_info.bad_given){
293 <        if (args_info.rcut_given) {
294 <            analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg,
295 <                                                 args_info.nbins_arg);
296 <        } else {
297 <            sprintf( painCave.errMsg,
298 <                     "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
299 <            painCave.severity = OPENMD_ERROR;
300 <            painCave.isFatal = 1;
301 <            simError();
302 <        }
303 <    } else if (args_info.scd_given) {
304 <        if (batchMode) {
305 <            analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
306 <                                              args_info.begin_arg, args_info.end_arg);
307 <        } else{
308 <            std::string sele3 = args_info.sele3_arg;
309 <            analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
310 <        }
311 <    }else if (args_info.density_given) {
312 <        analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
313 <                                  args_info.nbins_arg);  
314 <    } else if (args_info.slab_density_given) {
315 <        analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
316 <    } else if (args_info.p_angle_given) {
317 <        analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg);
234 >  } else if (args_info.p2_given) {
235 >    if (args_info.sele1_given) {    
236 >      if (args_info.sele2_given)
237 >        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
238 >      else
239 >        if (args_info.seleoffset_given)
240 >          analyser  = new P2OrderParameter(info, dumpFileName, sele1,
241 >                                           args_info.seleoffset_arg);
242 >        else
243 >          analyser  = new P2OrderParameter(info, dumpFileName, sele1);
244 >    } else {
245 >      sprintf( painCave.errMsg,
246 >               "At least one selection script (--sele1) must be specified when calculating P2 order parameters");
247 >      painCave.severity = OPENMD_ERROR;
248 >      painCave.isFatal = 1;
249 >      simError();
250 >    }
251 >  } else if (args_info.rp2_given){
252 >    analyser = new RippleOP(info, dumpFileName, sele1, sele2);
253 >  } else if (args_info.bo_given){
254 >    if (args_info.rcut_given) {
255 >      analyser = new BondOrderParameter(info, dumpFileName, sele1,
256 >                                        args_info.rcut_arg,
257 >                                        args_info.nbins_arg);
258 >    } else {
259 >      sprintf( painCave.errMsg,
260 >               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
261 >      painCave.severity = OPENMD_ERROR;
262 >      painCave.isFatal = 1;
263 >      simError();
264 >    }
265 >    
266 >  } else if (args_info.tet_param_given) {
267 >    if (args_info.rcut_given) {  
268 >      analyser = new TetrahedralityParam(info, dumpFileName, sele1,
269 >                                         args_info.rcut_arg,
270 >                                         args_info.nbins_arg);
271 >    } else {
272 >      sprintf( painCave.errMsg,
273 >               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
274 >      painCave.severity = OPENMD_ERROR;
275 >      painCave.isFatal = 1;
276 >      simError();
277 >    }
278 >  } else if (args_info.tet_param_z_given) {
279 >    if (args_info.rcut_given) {  
280 >      analyser = new TetrahedralityParamZ(info, dumpFileName, sele1,
281 >                                         args_info.rcut_arg,
282 >                                         args_info.nbins_arg);
283 >    } else {
284 >      sprintf( painCave.errMsg,
285 >               "A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
286 >      painCave.severity = OPENMD_ERROR;
287 >      painCave.isFatal = 1;
288 >      simError();
289 >    }
290 >  } else if (args_info.bor_given){
291 >    if (args_info.rcut_given) {
292 >      analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg,
293 >                            args_info.nbins_arg, maxLen);
294 >    } else {
295 >      sprintf( painCave.errMsg,
296 >               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
297 >      painCave.severity = OPENMD_ERROR;
298 >      painCave.isFatal = 1;
299 >      simError();
300 >    }
301 >  } else if (args_info.bad_given){
302 >    if (args_info.rcut_given) {
303 >      analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg,
304 >                                           args_info.nbins_arg);
305 >    } else {
306 >      sprintf( painCave.errMsg,
307 >               "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
308 >      painCave.severity = OPENMD_ERROR;
309 >      painCave.isFatal = 1;
310 >      simError();
311 >      }
312 >  } else if (args_info.scd_given) {
313 >    if (batchMode) {
314 >      analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
315 >                                        args_info.begin_arg, args_info.end_arg);
316 >    } else{
317 >      std::string sele3 = args_info.sele3_arg;
318 >      analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
319 >    }
320 >  }else if (args_info.density_given) {
321 >    analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
322 >                              args_info.nbins_arg);  
323 >  } else if (args_info.count_given) {
324 >    analyser = new ObjectCount(info, dumpFileName, sele1 );
325 >  } else if (args_info.slab_density_given) {
326 >    analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
327 >  } else if (args_info.p_angle_given) {
328 >    analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg);
329   #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
330 <    }else if (args_info.hxy_given) {
331 <        analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
332 <                           args_info.nbins_y_arg, args_info.nbins_arg);
330 >  }else if (args_info.hxy_given) {
331 >    analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
332 >                       args_info.nbins_y_arg, args_info.nbins_arg);
333   #endif
334 <    }else if (args_info.rho_r_given) {
335 <        if (args_info.radius_given){
336 <            analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
337 <        }else{
338 <            sprintf( painCave.errMsg,
339 <                     "A particle radius (radius) must be specified when calculating Rho(r)");
340 <            painCave.severity = OPENMD_ERROR;
341 <            painCave.isFatal = 1;
342 <            simError();
286 <        }
287 <    }else if (args_info.hullvol_given) {
288 <        analyser = new NanoVolume(info, dumpFileName, sele1);
334 >  }else if (args_info.rho_r_given) {
335 >    if (args_info.radius_given){
336 >      analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
337 >    }else{
338 >      sprintf( painCave.errMsg,
339 >               "A particle radius (radius) must be specified when calculating Rho(r)");
340 >      painCave.severity = OPENMD_ERROR;
341 >      painCave.isFatal = 1;
342 >      simError();
343      }
344 +  } else if (args_info.hullvol_given) {
345 +    analyser = new NanoVolume(info, dumpFileName, sele1);
346 +  } else if (args_info.rodlength_given) {
347 +    analyser = new NanoLength(info, dumpFileName, sele1);
348 +  } else if (args_info.angle_r_given) {
349 +    analyser = new AngleR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg);
350 +  }
351 +    
352 +  if (args_info.output_given) {
353 +    analyser->setOutputName(args_info.output_arg);
354 +  }
355 +  if (args_info.step_given) {
356 +    analyser->setStep(args_info.step_arg);
357 +  }
358 +
359 +  analyser->process();
360    
361 <    if (args_info.output_given) {
362 <        analyser->setOutputName(args_info.output_arg);
293 <    }
294 <    if (args_info.step_given) {
295 <        analyser->setStep(args_info.step_arg);
296 <    }
361 >  delete analyser;    
362 >  delete info;
363  
364 <    analyser->process();
299 <
300 <    delete analyser;    
301 <    delete info;
302 <
303 <    return 0;  
364 >  return 0;  
365   }
366  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines