help = "The simulation data file",
nargs = "?",
default = GD.file_resultdatafile)
parser.add_argument("-b", "--blockid",
type = str,
help = "The data block to handle",
nargs = "*",
default = ["all"])
args = parser.parse_args()
# Read file with simulation data
iom = IOManager()
iom.open_file(filename=args.datafile)
# Which blocks to handle
blockids = iom.get_block_ids()
if "all" not in args.blockid:
blockids = [bid for bid in args.blockid if bid in blockids]
# Iterate over all blocks
for blockid in blockids:
if iom.has_wavefunction(blockid=blockid):
print("Deleting grid and wavefunction data in block '{}'".format(blockid))
iom.delete_wavefunction(blockid=blockid)
if iom.has_grid(blockid=blockid):
iom.delete_grid(blockid=blockid)
iom.finalize()
# File with the simulation data
resultspath = os.path.abspath(args.resultspath)
if not os.path.exists(resultspath):
raise IOError("The results path does not exist: {}".format(
args.resultspath))
datafile = os.path.abspath(os.path.join(args.resultspath, args.datafile))
# Read file with simulation data
iom = IOManager()
iom.open_file(filename=datafile)
# Which blocks to handle
blockids = iom.get_block_ids()
if "all" not in args.blockid:
blockids = [bid for bid in args.blockid if bid in blockids]
# The axes rectangle that is plotted
view = args.trange + args.vrange
# Iterate over all blocks
for blockid in iom.get_block_ids():
print("Plotting energies in data block '{}'".format(blockid))
if iom.has_energy(blockid=blockid):
plot_energies(read_data(iom, blockid=blockid),
blockid=blockid,
view=view,
path=resultspath)
filename = GD.file_resultdatafile
iomc.open_file(filename=filename)
# New file for eigen transformed data
P = iomc.load_parameters()
iome.create_file(P, filename=filename[:-5]+"_eigen.hdf5")
# Iterate over all groups
for groupid in iomc.get_group_ids():
# Create the group if necessary
if not groupid in iome.get_group_ids():
iome.create_group(groupid=groupid)
for blockid in iomc.get_block_ids(groupid=groupid):
print("Computing eigentransformation of data in block '"+str(blockid)+"'")
# Create the block if necessary
if not blockid in iome.get_block_ids(groupid=groupid):
iome.create_block(blockid=blockid, groupid=groupid)
# See if we have a wavefunction
if iomc.has_wavefunction(blockid=blockid):
from EigentransformWavefunction import transform_wavefunction_to_eigen
transform_wavefunction_to_eigen(iomc, iome, blockidin=blockid, blockidout=blockid)
# See if we have a homogeneous wavepacket next
if iomc.has_wavepacket(blockid=blockid):
from EigentransformHagedornWavepacket import transform_hawp_to_eigen
transform_hawp_to_eigen(iomc, iome, blockidin=blockid, blockidout=blockid)
from WaveBlocksND import IOManager
if __name__ == "__main__":
iom = IOManager()
# Read file with simulation data
try:
iom.open_file(filename=sys.argv[1])
except IndexError:
iom.open_file()
# Iterate over all blocks
for blockid in iom.get_block_ids():
print("Computing the energies in data block '" + str(blockid) + "'")
if iom.has_energy(blockid=blockid):
print("Datablock '" + str(blockid) + "' already contains energy data, silent skip.")
continue
# TODO: Add new algorithms here
# We test for an inhomogeneous wavepacket next
if iom.has_inhomogwavepacket(blockid=blockid):
import EnergiesWavepacket
EnergiesWavepacket.compute_energy_inhawp(iom, blockid=blockid)
# We test for a homogeneous wavepacket next
elif iom.has_wavepacket(blockid=blockid):
args = parser.parse_args()
# Read file with simulation data
iom = IOManager()
iom.open_file(filename=args.simfile)
# Read the additional grid parameters
if args.params:
parametersfile = args.params
PA = ParameterLoader().load_from_file(parametersfile)
else:
PA = None
# Which blocks to handle
if "all" in args.blockid:
blocks_to_handle = iom.get_block_ids()
else:
blocks_to_handle = map(int, args.blockid)
# Iterate over all blocks
for blockid in blocks_to_handle:
print("Evaluating wavepackets in data block '"+str(blockid)+"'")
if iom.has_wavefunction(blockid=blockid):
print("Datablock '"+str(blockid)+"' already contains wavefunction data, silent skip.")
continue
# NOTE: Add new algorithms here
if iom.has_wavepacket(blockid=blockid):
import EvaluateWavepackets
