- fixed forgoten "mode" constant
authorAnatoly <Titov_AI@pnpi.nrcki.ru>
Fri, 2 Oct 2020 12:03:03 +0000 (15:03 +0300)
committerAnatoly <Titov_AI@pnpi.nrcki.ru>
Fri, 2 Oct 2020 12:03:03 +0000 (15:03 +0300)
src/spacetimecorr.cpp

index b98a3f2579b6dcff057a9d8a5f8e95170bc5b16a..c37b39a4412b25a424fa49b9d00e1837f4fdd6f1 100644 (file)
@@ -99,8 +99,6 @@ class SpaceTimeCorr : public TrajectoryAnalysisModule
         std::vector< std::vector < std::vector < size_t > > >   sels;
         std::vector< int >                                      index;
 
-
-        int                                                     frames             {0};
         int                                                     tauJump            {100};  // selectable
 
         int                                                     window             {1000}; // selectable
@@ -208,7 +206,7 @@ SpaceTimeCorr::initAnalysis(const TrajectoryAnalysisSettings &settings, const To
             reference.push_back(top.x().at(static_cast< size_t >(i)));
         }
     }
-    corrs.setDefaults(reference, window, tau, tauJump, crlBorder, effRad, 0, outPutName, index, sels, resNms);
+    corrs.setDefaults(reference, window, tau, tauJump, crlBorder, effRad, mode, outPutName, index, sels, resNms);
 }
 
 void
@@ -226,7 +224,6 @@ SpaceTimeCorr::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, Trajecto
     for (size_t i {0}; i < index.size(); i++) {
         trajectoryFrame[i] = fr.x[index[i]];
     }
-    frames++;
     corrs.update(frnr, trajectoryFrame);
     std::cout << "\t" << frnr << std::endl;
 }