Ignore:
Timestamp:
Apr 27, 2010, 2:25:42 PM (15 years ago)
Author:
Frederik Heber <heber@…>
Children:
90c4460
Parents:
1561e2 (diff), 2bc713 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'Analysis_PairCorrelation' into StructureRefactoring

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/World.cpp
molecuilder/src/World.hpp
molecuilder/src/boundary.cpp
molecuilder/src/builder.cpp
molecuilder/src/log.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/periodentafel.cpp
molecuilder/src/tesselation.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/Makefile.am
molecuilder/src/unittests/bondgraphunittest.cpp
molecuilder/src/unittests/gslvectorunittest.cpp
molecuilder/src/unittests/logunittest.cpp
molecuilder/src/unittests/tesselation_boundarytriangleunittest.hpp
molecuilder/src/vector.cpp
molecuilder/tests/Tesselations/defs.in

Conflicts have been many and too numerous to listen here, just the few general cases

  • new molecule() replaced by World::getInstance().createMolecule()
  • new atom() replaced by World::getInstance().createAtom() where appropriate.
  • Some DoLog()s added interfered with changes to the message produced by Log() << Verbose(.) << ...
  • DoLog() has been erroneously added to TestRunner.cpp as well, there cout is appropriate
  • ...

Additionally, there was a bug in atom::clone(), sort was set to atom::nr of the atom to clone not of the clone itself. This caused a failure of the fragmentation.

This merge has been fully checked from a clean build directory with subsequent configure,make all install and make check.
It configures, compiles and runs all test cases and the test suite without errors.

Signed-off-by: Frederik Heber <heber@…>

File:
1 edited

Legend:

Unmodified
Added
Removed

  • molecuilder/src/datacreator.cpp

    r1561e2 r075729  
    2525  output.open(name.str().c_str(), ios::out);
    2626  if (output == NULL) {
    27     Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
     27    DoLog(0) && (Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl);
    2828    return false;
    2929  }
    … …  
    4343  output.open(name.str().c_str(), ios::app);
    4444  if (output == NULL) {
    45     Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
     45    DoLog(0) && (Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl);
    4646    return false;
    4747  }
    … …  
    6363  filename << prefix << ".dat";
    6464  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    65   Log() << Verbose(0) << msg << endl;
     65  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    6666  output << "# " << msg << ", created on " << datum;
    6767  output << "#Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    9696  filename << prefix << ".dat";
    9797  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    98   Log() << Verbose(0) << msg << endl;
     98  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    9999  output << "# " << msg << ", created on " << datum;
    100100  output << "#Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    133133  filename << prefix << ".dat";
    134134  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    135   Log() << Verbose(0) << msg << endl;
     135  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    136136  output << "# " << msg << ", created on " << datum;
    137137  output << "# Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    165165  filename << prefix << ".dat";
    166166  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    167   Log() << Verbose(0) << msg << endl;
     167  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    168168  output << "# " << msg << ", created on " << datum;
    169169  output << "# Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    198198  filename << prefix << ".dat";
    199199  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    200   Log() << Verbose(0) << msg << endl;
     200  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    201201  output << "# " << msg << ", created on " << datum;
    202202  output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    244244  filename << prefix << ".dat";
    245245  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    246   Log() << Verbose(0) << msg << endl;
     246  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    247247  output << "# " << msg << ", created on " << datum;
    248248  output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    281281  filename << prefix << ".dat";
    282282  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    283   Log() << Verbose(0) << msg << endl;
     283  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    284284  output << "# " << msg << ", created on " << datum;
    285285  output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
    … …  
    321321  filename << prefix << ".dat";
    322322  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    323   Log() << Verbose(0) << msg << endl;
     323  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    324324  output << "# " << msg << ", created on " << datum;
    325325  output << "# AtomNo\t";
    … …  
    363363  filename << prefix << ".dat";
    364364  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    365   Log() << Verbose(0) << msg << endl;
     365  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    366366  output << "# " << msg << ", created on " << datum;
    367367  output << "# AtomNo\t" << Fragments.Header[ Fragments.MatrixCounter ] << endl;
    … …  
    393393  filename << prefix << ".dat";
    394394  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    395   Log() << Verbose(0) << msg << endl;
     395  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    396396  output << "# " << msg << ", created on " << datum << endl;
    397397  output << "#Order\tFrag.No.\t" << Fragment.Header[ Fragment.MatrixCounter ] << endl;
    … …  
    458458  filename << prefix << ".dat";
    459459  if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
    460   Log() << Verbose(0) << msg << endl;
     460  DoLog(0) && (Log() << Verbose(0) << msg << endl);
    461461  output << "# " << msg << ", created on " << datum;
    462462  output << "#Order\tFrag.No.\t" << Fragment.Header[ Fragment.MatrixCounter ] << endl;
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