public static StructureInterfaceList calculateInterfaces ( Structure struc ) { CrystalBuilder builder = new CrystalBuilder ( struc ) ; StructureInterfaceList interfaces = builder . getUniqueInterfaces ( ) ; logger . debug ( "Calculating ASA for " + interfaces . size ( ) + " potential interfaces" ) ; interfaces . calcAsas ( StructureInterfaceList . DEFAULT_ASA_SPHERE_POINTS , //fewer for performance Runtime . getRuntime ( ) . availableProcessors ( ) , StructureInterfaceList . DEFAULT_MIN_COFACTOR_SIZE ) ; interfaces . removeInterfacesBelowArea ( ) ; interfaces . getClusters ( ) ; logger . debug ( "Found " + interfaces . size ( ) + " interfaces" ) ; return interfaces ; }
Calculates the interfaces for a structure using default parameters