src/analysis/MeanSquareDispl.py
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# ESPResSo++ is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
r"""
***********************************
espressopp.analysis.MeanSquareDispl
***********************************
.. function:: espressopp.analysis.MeanSquareDispl(system, chainlength)
:param system:
:param chainlength: (default: None)
:param start_pid: (default: 0)
:type system:
:type chainlength:
:type start_pid:
.. function:: espressopp.analysis.MeanSquareDispl.computeG2()
:rtype:
.. function:: espressopp.analysis.MeanSquareDispl.computeG3()
:rtype:
.. function:: espressopp.analysis.MeanSquareDispl.strange()
:rtype:
"""
from espressopp.esutil import cxxinit
from espressopp import pmi
from espressopp.analysis.ConfigsParticleDecomp import *
from _espressopp import analysis_MeanSquareDispl
class MeanSquareDisplLocal(ConfigsParticleDecompLocal, analysis_MeanSquareDispl):
def __init__(self, system, chainlength = None, start_pid=0):
if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
if chainlength is None:
cxxinit(self, analysis_MeanSquareDispl, system)
else:
cxxinit(self, analysis_MeanSquareDispl, system, chainlength, start_pid)
def computeG2(self):
return self.cxxclass.computeG2(self)
def computeG3(self):
return self.cxxclass.computeG3(self)
def strange(self):
print(1)
return 1
if pmi.isController:
class MeanSquareDispl(ConfigsParticleDecomp, metaclass=pmi.Proxy):
pmiproxydefs = dict(
cls = 'espressopp.analysis.MeanSquareDisplLocal',
pmiproperty = [ 'print_progress' ],
pmicall = ["computeG2", 'strange']
)