mFES - molecular Finite Element Solver
0.4
|
00001 lGrid createGrid(short); 00002 void initGrid(lGrid); 00003 void signDistanceGrid(lGrid, Molecule); 00004 void signDistanceGridPR(lGrid, Molecule, float); 00005 void setCoordinateGridPoint(GridPoint*, short, short, short); 00006 char containsMoleculePR(Molecule, float, float, float, float); 00007 char containsMolecule(Molecule, float, float, float); 00008 void perturbMolecule(Molecule, float); 00009 void signDistanceGridMol(lGrid, Molecule, double, int); 00010 void shrink(lGrid, double, int); 00011 int findProbesMol(lGrid, float); 00012 int fastMarching(lGrid, char);