#  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.interaction.LennardJonesCapped**
*******************************************************

.. math::

	V(r) = 4 \varepsilon \left[ \left( \frac{\sigma}{r} \right)^{12} -
	\left( \frac{\sigma}{r} \right)^{6} \right]

where `r` is either the distance or the capped distance, depending on which is
greater.

.. function:: espressopp.interaction.LennardJonesCapped(epsilon, sigma, cutoff, caprad, shift)

		:param epsilon: (default: 1.0)
		:param sigma: (default: 1.0)
		:param cutoff: (default: infinity)
		:param caprad: (default: 0.0)
		:param shift: (default: "auto")
		:type epsilon: real
		:type sigma: real
		:type cutoff: 
		:type caprad: real
		:type shift: 

.. function:: espressopp.interaction.VerletListLennardJonesCapped(vl)

		:param vl: 
		:type vl: 

.. function:: espressopp.interaction.VerletListLennardJonesCapped.getPotential(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.VerletListLennardJonesCapped.setPotential(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.VerletListAdressLennardJonesCapped(vl, fixedtupleList)

		:param vl: 
		:param fixedtupleList: 
		:type vl: 
		:type fixedtupleList: 

.. function:: espressopp.interaction.VerletListAdressLennardJonesCapped.getPotentialAT(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.VerletListAdressLennardJonesCapped.getPotentialCG(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.VerletListAdressLennardJonesCapped.setPotentialAT(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.VerletListAdressLennardJonesCapped.setPotentialCG(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.VerletListHadressLennardJonesCapped(vl, fixedtupleList)

		:param vl: 
		:param fixedtupleList: 
		:type vl: 
		:type fixedtupleList: 

.. function:: espressopp.interaction.VerletListHadressLennardJonesCapped.getPotentialAT(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.VerletListHadressLennardJonesCapped.getPotentialCG(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.VerletListHadressLennardJonesCapped.setPotentialAT(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.VerletListHadressLennardJonesCapped.setPotentialCG(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.CellListLennardJonesCapped(stor)

		:param stor: 
		:type stor: 

.. function:: espressopp.interaction.CellListLennardJonesCapped.getPotential(type1, type2)

		:param type1: 
		:param type2: 
		:type type1: 
		:type type2: 
		:rtype: 

.. function:: espressopp.interaction.CellListLennardJonesCapped.setPotential(type1, type2, potential)

		:param type1: 
		:param type2: 
		:param potential: 
		:type type1: 
		:type type2: 
		:type potential: 

.. function:: espressopp.interaction.FixedPairListLennardJonesCapped(system, vl, potential)

		:param system: 
		:param vl: 
		:param potential: 
		:type system: 
		:type vl: 
		:type potential: 

.. function:: espressopp.interaction.FixedPairListLennardJonesCapped.getPotential()

		:rtype: 

.. function:: espressopp.interaction.FixedPairListLennardJonesCapped.setPotential(potential)

		:param potential: 
		:type potential: 

"""

from espressopp import pmi, infinity
from espressopp.esutil import *

from espressopp.interaction.Potential import *
from espressopp.interaction.Interaction import *
from _espressopp import interaction_LennardJonesCapped, \
                      interaction_VerletListLennardJonesCapped, \
                      interaction_VerletListAdressLennardJonesCapped, \
                      interaction_VerletListHadressLennardJonesCapped, \
                      interaction_CellListLennardJonesCapped, \
                      interaction_FixedPairListLennardJonesCapped

class LennardJonesCappedLocal(PotentialLocal, interaction_LennardJonesCapped):

    def __init__(self, epsilon=1.0, sigma=1.0, 
                 cutoff=infinity, caprad=0.0, shift="auto"):
        """Initialize the local Lennard Jones object."""
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            if shift =="auto":
                cxxinit(self, interaction_LennardJonesCapped, 
                        epsilon, sigma, cutoff, caprad)
            else:
                cxxinit(self, interaction_LennardJonesCapped, 
                        epsilon, sigma, cutoff, caprad, shift)

class VerletListLennardJonesCappedLocal(InteractionLocal, interaction_VerletListLennardJonesCapped):

    def __init__(self, vl):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            cxxinit(self, interaction_VerletListLennardJonesCapped, vl)

    def setPotential(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotential(self, type1, type2, potential)

    def getPotential(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotential(self, type1, type2)

class VerletListAdressLennardJonesCappedLocal(InteractionLocal, interaction_VerletListAdressLennardJonesCapped):

    def __init__(self, vl, fixedtupleList):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            cxxinit(self, interaction_VerletListAdressLennardJonesCapped, vl, fixedtupleList)

    def setPotentialAT(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotentialAT(self, type1, type2, potential)

    def setPotentialCG(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotentialCG(self, type1, type2, potential)

    def getPotentialAT(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotentialAT(self, type1, type2)

    def getPotentialCG(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotentialCG(self, type1, type2)
        
class VerletListHadressLennardJonesCappedLocal(InteractionLocal, interaction_VerletListHadressLennardJonesCapped):

    def __init__(self, vl, fixedtupleList):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            cxxinit(self, interaction_VerletListHadressLennardJonesCapped, vl, fixedtupleList)

    def setPotentialAT(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotentialAT(self, type1, type2, potential)

    def setPotentialCG(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotentialCG(self, type1, type2, potential)

    def getPotentialAT(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotentialAT(self, type1, type2)

    def getPotentialCG(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotentialCG(self, type1, type2)

class CellListLennardJonesCappedLocal(InteractionLocal, interaction_CellListLennardJonesCapped):

    def __init__(self, stor):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            cxxinit(self, interaction_CellListLennardJonesCapped, stor)
        
    def setPotential(self, type1, type2, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotential(self, type1, type2, potential)

    def getPotential(self, type1, type2):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotential(self, type1, type2)

class FixedPairListLennardJonesCappedLocal(InteractionLocal, interaction_FixedPairListLennardJonesCapped):

    def __init__(self, system, vl, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            cxxinit(self, interaction_FixedPairListLennardJonesCapped, system, vl, potential)
        
    def setPotential(self, potential):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            self.cxxclass.setPotential(self, potential)

    def getPotential(self):
        if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup():
            return self.cxxclass.getPotential(self)

if pmi.isController:
    class LennardJonesCapped(Potential):
        'The Lennard-Jones potential.'
        pmiproxydefs = dict(
            cls = 'espressopp.interaction.LennardJonesCappedLocal',
            pmiproperty = ['epsilon', 'sigma', 'cutoff', 'caprad']
            )

    class VerletListLennardJonesCapped(Interaction):
        __metaclass__ = pmi.Proxy
        pmiproxydefs = dict(
            cls =  'espressopp.interaction.VerletListLennardJonesCappedLocal',
            pmicall = ['setPotential', 'getPotential']
            )

    class VerletListAdressLennardJonesCapped(Interaction):
        __metaclass__ = pmi.Proxy
        pmiproxydefs = dict(
            cls =  'espressopp.interaction.VerletListAdressLennardJonesCappedLocal',
            pmicall = ['setPotentialAT', 'setPotentialCG', 'getPotentialAT', 'getPotentialCG']
            )
            
    class VerletListHadressLennardJonesCapped(Interaction):
        __metaclass__ = pmi.Proxy
        pmiproxydefs = dict(
            cls =  'espressopp.interaction.VerletListHadressLennardJonesCappedLocal',
            pmicall = ['setPotentialAT', 'setPotentialCG', 'getPotentialAT', 'getPotentialCG']
            )

    class CellListLennardJonesCapped(Interaction):
        __metaclass__ = pmi.Proxy
        pmiproxydefs = dict(
            cls =  'espressopp.interaction.CellListLennardJonesCappedLocal',
            pmicall = ['setPotential', 'getPotential']
            )
        
    class FixedPairListLennardJonesCapped(Interaction):
        __metaclass__ = pmi.Proxy
        pmiproxydefs = dict(
            cls =  'espressopp.interaction.FixedPairListLennardJonesCappedLocal',
            pmicall = ['setPotential']
            )
