cuikbioatlastrrt.c File Reference

Detailed Description


This is the same as cuikatlastrrt but operating on molecules. In this case the cost is the molecular energy computed via OpenBabel.

With a minimum effort we could also implement the molecular alternative of cuikcctrrt, but it is not implemented yet.

Definition in file cuikbioatlastrrt.c.


int main (int argc, char **arg)
 Main body of the cuikbioatlastrrt application. More...

Function Documentation

int main ( int  argc,
char **  arg 

Main body of the cuikbioatlastrrt application.


  • cuikbioatlastrrt problem_name.pdb [rep]


  • problem_name.pdb contains the molecule information.
  • [rep] Number of repetitions. Optional. Used to get statistics.

The .pdb extension is compulsatory (however any extension valid for OpenBabel can be used).

argcNumber of elements in the command line that starts the application (i.e., the cuikbioatlastrrt command itself and its arguments).
argStrings with the arguments.
EXIT_SUCCESS (0) if the execution worked out fine and EXIT_FAILURE if not.

Definition at line 75 of file cuikbioatlastrrt.c.

References ATLASRRT_GLOBAL_NN, ATLASRRT_VERBOSE, AtlasRRTMemSize(), AtlasTRRT(), BioWorldEnergy(), BioWorldWorld(), CreateFileName(), CS_WD_FROM_WORLD, CS_WD_GET_NUM_SYSTEM_VARS, CT_DETECT_BIFURCATIONS, DeleteAtlasRRT(), DeleteAtlasRRTStatistics(), DeleteAverages(), DeleteBioWorld(), DeleteFileName(), DeleteParameters(), DeleteSamples(), Error(), EXPLORATION_RRT, FALSE, GET_ATLASRRT_GLOBAL_CURV_CHECK, GET_ATLASRRT_STATISTICS, GetAtlasRRTNumCharts(), GetAtlasRRTNumNodes(), GetFileFullName(), GetParameter(), InitAtlasRRT(), InitAtlasRRTStatistics(), InitAverages(), InitBioWorld(), InitParametersFromFile(), NEW, NewSuccesfulExperiment(), NO_UINT, ONE_TREE, PARAM_EXT, PrintAtlasRRTStatistics(), PrintAverages(), PrintAveragesHeader(), PrintParameters(), randomSet(), ReadOneSample(), ReadTwoSamples(), SaveAtlasRRT(), SaveSamples(), TRUE, and USE_ATLAS_TREE.