Ignore:
Timestamp:
Nov 24, 2009, 3:34:49 PM (16 years ago)
Author:
Frederik Heber <heber@…>
Children:
1a3354
Parents:
7d1ad9
Message:

Fixes and naming of final Tecplot output file is now molecule name.

  • FIXES to builder.cpp:
    • case 'p' would not dissect the molecule into connected subgraphs
    • if done so, the BondGraph was not yet initialised
    • if done so, we need to check whether BondGraphFileName has been set
    • BondGraphFileName.empty() could not be used as a check, as was set to "" instead of "\n"
    • if (finally) done so, we have to remove the empty molecule that we parsed in
    • ... and then pick the newly added molecule for mol to point at
    • SaveConfig() did not set the merged molecule name correctly.
    • if empty config is given, the empty molecule now receives the ConfigFileName as name
  • FIXES to config.cpp
    • Load() did not set the name of the molecule
  • changes to tesselationhelper.cpp and tesselation.cpp
  • changes to PointCloud and molecule
    • new virtual function PointCloud::GetName() returns "unknown"
    • new function molecule::GetName() returns pointer to name of molecule
    • IsEmpty() and IsEnd() now return true by default
  • all .dat files in the "Tesselations" tests were changed accordingly (i.e. have now the name in the second line)
  • benzene was added as a new test for an absolutely flat molecule. So far, it fails horribly.
  • 13 of 17 tests run fine

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

Location:
molecuilder/tests/Tesselations
Files:
3 added
18 edited

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