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Re: [IMP-dev] examples not working in IMP version 1.0

hey Frido -
not sure if it is going to solve all of the problem but ListSingletonContainer is now part of IMP.container 
On Apr 16, 2010, at 12:36 AM, Friedrich Foerster wrote:


dear all,

i have been trying to run the example for the non-bonded list in IMP
(the official release 1.0) and sadly, it did not work:
sendling 1026% /fs/pool/pool-foerster/apps/src/imp/branches/1.0/ tools/imppy.sh 
python test_imp.py
Traceback (most recent call last):
 File "test_imp.py", line 10, in <module>
ps = IMP.core.ListSingletonContainer(IMP.core.create_xyzr_particles(m, 
20, 1.0))
AttributeError: 'module' object has no attribute 'ListSingletonContainer' 



test_imp.py is the IMP example:

import IMP
import IMP.core
import IMP.atom

# This example addes a restraint on nonbonded interactions
# after excluding a set of bonded interactions.

m= IMP.Model()
# The set of particles
ps = IMP.core.ListSingletonContainer(IMP.core.create_xyzr_particles(m, 20, 1.0)) 

# create a bond between two particles
bd0= IMP.atom.Bonded.setup_particle(ps.get_particle(0))
bd1= IMP.atom.Bonded.setup_particle(ps.get_particle(1))
IMP.atom.custom_bond(bd0, bd1, 2.0)

# Set up the nonbonded list for all pairs at are touching
# and let things move 3 before updating the list
nbl= IMP.core.ClosePairContainer(ps, 0.0, 3.0)
nbl.add_pair_filter(IMP.atom.BondedPairFilter())

# Set up excluded volume
sdps= IMP.core.SphereDistancePairScore(IMP.core.HarmonicLowerBound(0,1)) 
evr= IMP.core.PairsRestraint(sdps, nbl)
m.add_restraint(evr)

# Set up optimizer
o= IMP.core.ConjugateGradients()
o.set_model(m)

o.optimize(1000)



any suggestions?

thanks


p.s.: IMP is compiled with build='fast'.
all 'required' packages (specified in the installation doc) are installed: 
   * scons (0.98 or later)
   * Boost (1.33 or later)
   * A Subversion (svn) client to access the repository

If you wish to build the Python interfaces, you will also need:

   * Python (2.3 or later)
   * SWIG (1.3.40 or later)



--
Dr. Friedrich Foerster
Max-Planck Institut fuer Biochemie
Am Klopferspitz 18
D-82152 Martinsried

Tel: +49 89 8578 2632
Fax: +49 89 8578 2641

www.biochem.mpg.de/foerster
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