domino/save_assignments.py

It can often be useful to save the assignments to a file. IMP provides support to do this to a data set in an HDF5 file.

You can use h5dump to view the contents of the created file.

## \example domino/save_assignments.py
# It can often be useful to save the assignments to a file. \imp provides
# support to do this to a data set in an HDF5 file.
#
# You can use \c h5dump to view the contents of the created file.

import IMP.domino
import sys

IMP.setup_from_argv(sys.argv, "save assignments")

# create a model and some particles; they are just used as markers here
m = IMP.Model()
ps = [IMP.Particle(m) for i in range(0, 10)]

# create a subset with a few of the particles
ss = IMP.domino.Subset([ps[3], ps[5], ps[7]])

file_name = IMP.create_temporary_file_name("assignments", ".asn")

print("File name is", file_name)

# create a list of assignments

IMP.set_log_level(IMP.MEMORY)
asl = IMP.domino.WriteAssignmentContainer(file_name, ss, ps, "writer")
written = []
for i in range(0, 5):
    for j in range(0, 5):
        for k in range(0, 5):
            a = IMP.domino.Assignment([i, j, k])
            written.append(a)
            asl.add_assignment(a)

del asl

# to check, we can read it back immediately
back_asl = IMP.domino.ReadAssignmentContainer(file_name, ss, ps, "reader")


if back_asl.get_assignments() == written:
    print("They match!")
else:
    print(back_asl.get_assignments())
    print(written)
    raise RuntimeError("They don't match :-(")


# More interestingly, we can create a new model and read back the
# assignments for that
mp = IMP.Model()
psp = [IMP.Particle(mp) for i in range(0, 10)]

# create a subset with a few of the particles
ssp = IMP.domino.Subset([psp[3], psp[5], psp[7]])

print("Note the subsets are differently ordered (most of the time): ", ss, ssp)

back_aslp = IMP.domino.ReadAssignmentContainer(file_name, ssp, psp, "reader2")

# however, the states are demuxed so they match the particles
print([str(a) for a in back_aslp.get_assignments()])