コード例 #1
0
ファイル: AVoroPotential.java プロジェクト: galicae/tina
 /**
  * voronoi data container for multiple sequence scoring on model will be initialized
  *
  * @param model
  * @return voronoi data reuced and decomposited by given pdbmodel grid will be used and generated
  */
 @Override
 public void prepareSequenceScoring(Object model) {
   PDBEntry entry = (PDBEntry) model;
   data = new VoronoiData(entry.getId());
   data.reducePDB(entry);
   data.fillGridWithoutClashes(gridExtend, gridDensity, gridClash);
   voro.decomposite(data);
   data.detectOuterGrid(minContact);
 }
コード例 #2
0
ファイル: AVoroPotential.java プロジェクト: galicae/tina
 /**
  * normal preparation of data in solvent
  *
  * @param dssp
  * @param gridExtend
  * @param gridDensity
  * @param gridClash
  * @param minContact
  * @return voronoi data reuced and decomposited by given pdbmodel grid will be generated and used
  */
 public VoronoiData prepareWithGrid(
     DSSPEntry dssp, double gridExtend, double gridDensity, double gridClash, double minContact) {
   VoronoiData data;
   data = new VoronoiData(dssp.getId());
   data.reduceDSSP(dssp);
   data.fillGridWithoutClashes(gridExtend, gridDensity, gridClash);
   voro.decomposite(data);
   data.detectOuterGrid(minContact);
   return data;
 }