def __init__(self, system, nodeGrid='auto', cellGrid='auto', nocheck=False): # do sanity checks for the system first if nocheck: self.next_id = 0 self.pmiinit(system, nodeGrid, cellGrid) else: if check.System(system, 'bc'): if nodeGrid == 'auto': nodeGrid = decomp.nodeGrid(system.comm.rank) else: nodeGrid = toInt3DFromVector(nodeGrid) if cellGrid == 'auto': cellGrid = Int3D(2,2,2) else: cellGrid = toInt3DFromVector(cellGrid) # minimum image convention check: for k in range(3): if nodeGrid[k]*cellGrid[k] == 1 : cellGrid[k] = 2 print 'cellGrid[%i] has been adjusted to 2' self.next_id = 0 self.pmiinit(system, nodeGrid, cellGrid) else: print 'Error: could not create DomainDecomposition object'
def getFoldedPosition(self, pos, imageBox=None): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup() or pmi.isController: if imageBox is None: return self.cxxclass.getFoldedPosition(self, toReal3DFromVector(pos)) else: return self.cxxclass.getFoldedPosition( self, toReal3DFromVector(pos), toInt3DFromVector(imageBox))
def __init__(self, system, nodeGrid='auto', cellGrid='auto'): if nodeGrid == 'auto': nodeGrid = Int3D(system.comm.rank, 1, 1) else: nodeGrid = toInt3DFromVector(nodeGrid) if cellGrid == 'auto': # TODO: Implement raise 'Automatic cell size calculation not yet implemented' else: cellGrid = toInt3DFromVector(cellGrid) self.next_id = 0 self.pmiinit(system, nodeGrid, cellGrid)
def imageBox(self, val): self.__getTmp().imageBox = toInt3DFromVector(val) @property