Module generic

generic() is a forcefield class helper (surrogate class) genericdata() is a data container for generic()

> The class helper enables to defines general RULES based on formula
> and to store GLOBAL parameters in instances
> Methods operates with LOCAL parameters according to the recommended precedence
  GLOBAL + LOCAL + RULES (consistency is managed internally by a code analysis)

> A typical use

    # CREATE AN INSTANCE and set GLOBAL PARAMETERS
    mylibrary = mygenericclass(name="myclass",param1=...)
    # CALL THE METHODS FOR THIS INSTANCE
    FF = mylibrary.forcefield(beadtype=1, userid="myliquid")

> A typical USER class (inherited from generic) would look like

    class mygenericclass(generic):

        # static properties shared between all instances
        _version = xxx
        _description = "............"
        RULES = genericdata(.........) # class rules (please do not change them)

        # constructor method (required) to create an instance
        def __init__(self,name="...",
                     type=None,
                     param1=...,
                     param2=...,
                     ...
                     USER=genericdata()):

            super().__init__()
            self.name, self.type = name, type
            self.GLOBAL = genericdata(
                param1 = param1, # parameter specific to mygenericclass()
                param2 = param2, # idem
                ...
                ) + USER    # USER enables a unique/default container to be used

        def myforcefield(self,
                         beadtype=1,   # if needed
                         userid = "",  # user id
                         p1=...,       # first parameter
                         p2=...,       # second parameter
                     USER=genericdata()):

            self.LOCAL = genericdata(
                p1=p1,
                p2=p2
                )
            # manage inheritance, defintion consistency
            CURRENT = self.GLOBAL+self.LOCAL+self.RULES
            return someforcefield(beadtype=beadtype, userid=userid, USER=CURRENT)

Created on Fri May 13 22:06:30 2022

@author: olivi

#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""

    generic() is a forcefield class helper (surrogate class)
    genericdata() is a data container for generic()

    > The class helper enables to defines general RULES based on formula
    > and to store GLOBAL parameters in instances
    > Methods operates with LOCAL parameters according to the recommended precedence
      GLOBAL + LOCAL + RULES (consistency is managed internally by a code analysis)

    > A typical use

        # CREATE AN INSTANCE and set GLOBAL PARAMETERS
        mylibrary = mygenericclass(name="myclass",param1=...)
        # CALL THE METHODS FOR THIS INSTANCE
        FF = mylibrary.forcefield(beadtype=1, userid="myliquid")

    > A typical USER class (inherited from generic) would look like

        class mygenericclass(generic):

            # static properties shared between all instances
            _version = xxx
            _description = "............"
            RULES = genericdata(.........) # class rules (please do not change them)

            # constructor method (required) to create an instance
            def __init__(self,name="...",
                         type=None,
                         param1=...,
                         param2=...,
                         ...
                         USER=genericdata()):

                super().__init__()
                self.name, self.type = name, type
                self.GLOBAL = genericdata(
                    param1 = param1, # parameter specific to mygenericclass()
                    param2 = param2, # idem
                    ...
                    ) + USER    # USER enables a unique/default container to be used

            def myforcefield(self,
                             beadtype=1,   # if needed
                             userid = "",  # user id
                             p1=...,       # first parameter
                             p2=...,       # second parameter
                         USER=genericdata()):

                self.LOCAL = genericdata(
                    p1=p1,
                    p2=p2
                    )
                # manage inheritance, defintion consistency
                CURRENT = self.GLOBAL+self.LOCAL+self.RULES
                return someforcefield(beadtype=beadtype, userid=userid, USER=CURRENT)

Created on Fri May 13 22:06:30 2022

@author: olivi
"""

__project__ = "Pizza3"
__author__ = "Olivier Vitrac"
__copyright__ = "Copyright 2022"
__credits__ = ["Olivier Vitrac"]
__license__ = "GPLv3"
__maintainer__ = "Olivier Vitrac"
__email__ = "olivier.vitrac@agroparistech.fr"
__version__ = "0.9971"

# INRAE\Olivier Vitrac - rev. 2024-10-11
# contact: olivier.vitrac@agroparistech.fr

# History
# 2022-05-13 draft version (fields are not reordered)
# 2022-05-16 splitting CORE and USER classes and extended help
# 2022-05-16 full implementation of pizza.private.mstruct.sortdefinitions() in parameterforcefield()
# 2024-10-11 fix userid for newtonianfluid

# %% CORE DEFINITIONS (please)

# imports
from pizza.forcefield import parameterforcefield, water

__all__ = ['USERSMD', 'generic', 'genericdata', 'parameterforcefield', 'water']


# genericdata() class // please do not motify
class genericdata(parameterforcefield):
    """ generic data class to be used along with pizza.generic """
    _type = "gendata"        # object type
    _fulltype = "generic data" # full name
    _ftype = "item"        # field name
    _maxdisplay = 80

# generic() class // pease do not modify
class generic:
    """ generic helper class """
    _version = 0.1
    _description = "generic helper for forcefield parameterization"
    RULES = genericdata()

    def __init__(self):
        self.name = None
        self.type = None

    def __repr__(self):
        """ representation of generic() """
        id = ""
        if self.type is not None: id = str(self.type)+":"
        if self.name is not None: id = id+str(self.name)
        if id !="": id = '"'+id+'"'
        idstr = '  generic helper: %s\n\t (class "%s")' % (id,self.__class__)
        print("%s" % idstr)
        if len(self.GLOBAL):
            print("  with GLOBAL data")
            self.GLOBAL.__repr__()
        return idstr

# %% USER SECTION

# USERSMD is a class derived from generic()
class USERSMD(generic):
    """ class helper for the module LAMMPS.USERSMD """

    # specific tules (add formula, missing parameters will be provided by GLOBAL or LOCAL)
    RULES = genericdata(
        # list here default forcefield rules (USER can overload these rules)
        c0 = "${vmax}/${Ma}",
        q1 = "8*${nu}/(${c0}*${h})",
        Cp = 1.0,
        contact_stiffness = '2.5*${c0}^2*${rho}'
        )

    # constructor of USERSMD (note that USER can override all definitions)
    def __init__(self, name=None, type=None, h=0.1, Ma=0.1, vmax=0.1, USER = genericdata()):
        """ generic helper constructor """
        super().__init__()
        self.name = name
        self.type = type
        self.GLOBAL = genericdata(
            # variables which apply to all forcefields
            h = h,
            Ma = Ma,
            vmax = vmax
            ) + USER

    # forcefield derived from pizza.forcefield.water()
    def newtonianfluid(self, beadtype=1, userid = None, rho=1000.0, nu = 1e-6, mu = None, USER = genericdata()):
        """
            newtonianfluid() returns a parameterized ULSPH forcefield
            with prescribed viscosity (mu [Pa.s] or nu in [m2/s])
            and density (rho).
            Based on recommendations of J. Comput. Phys 1997, 136, 214–226
        """
        self.LOCAL = genericdata(
            rho = rho,
            nu = nu, # note that that nu is preferred as it is independent of rho
            mu = mu # dynamic viscosity (dependent on rho)
            ) + USER
        if self.LOCAL.nu is None: self.LOCAL.nu = self.LOCAL.mu / self.LOCAL.rho
        if self.LOCAL.nu is None: raise(ValueError("bad kinematic viscosity value: nu [m2/s]"))
        if self.LOCAL.mu is None: self.LOCAL.mu = self.LOCAL.nu * self.LOCAL.rho
        if userid == "" or userid is None:
            userid = "newtonianfluid rho=%0.4g [kg/m3] and nu=%0.4g [m2/s]" \
                           % (self.LOCAL.rho,self.LOCAL.nu)
        # this simple line with +
        # manages inheritance (the las definition as always higher precendence)
        # sorts definitions to enable execution (struct.sortdefinitions())
        # (see pizza.forcefield.parameterforcefield())
        CURRENT = self.GLOBAL+self.LOCAL+self.RULES
        return water(beadtype=beadtype, userid=userid, USER=CURRENT)


# %% DEBUG
# ===================================================
# main()
# ===================================================
# for debugging purposes (code called as a script)
# the code is called from here
# ===================================================
if __name__ == '__main__':
    mylibrary = USERSMD(name="currentsim",h=1)
    w = mylibrary.newtonianfluid(beadtype=1, userid="fluid")
    print("\n"*2,w)

Classes

class USERSMD (name=None, type=None, h=0.1, Ma=0.1, vmax=0.1, USER=generic data (gendata object) with 0 items)

class helper for the module LAMMPS.USERSMD

generic helper constructor

Expand source code

class USERSMD(generic):
    """ class helper for the module LAMMPS.USERSMD """

    # specific tules (add formula, missing parameters will be provided by GLOBAL or LOCAL)
    RULES = genericdata(
        # list here default forcefield rules (USER can overload these rules)
        c0 = "${vmax}/${Ma}",
        q1 = "8*${nu}/(${c0}*${h})",
        Cp = 1.0,
        contact_stiffness = '2.5*${c0}^2*${rho}'
        )

    # constructor of USERSMD (note that USER can override all definitions)
    def __init__(self, name=None, type=None, h=0.1, Ma=0.1, vmax=0.1, USER = genericdata()):
        """ generic helper constructor """
        super().__init__()
        self.name = name
        self.type = type
        self.GLOBAL = genericdata(
            # variables which apply to all forcefields
            h = h,
            Ma = Ma,
            vmax = vmax
            ) + USER

    # forcefield derived from pizza.forcefield.water()
    def newtonianfluid(self, beadtype=1, userid = None, rho=1000.0, nu = 1e-6, mu = None, USER = genericdata()):
        """
            newtonianfluid() returns a parameterized ULSPH forcefield
            with prescribed viscosity (mu [Pa.s] or nu in [m2/s])
            and density (rho).
            Based on recommendations of J. Comput. Phys 1997, 136, 214–226
        """
        self.LOCAL = genericdata(
            rho = rho,
            nu = nu, # note that that nu is preferred as it is independent of rho
            mu = mu # dynamic viscosity (dependent on rho)
            ) + USER
        if self.LOCAL.nu is None: self.LOCAL.nu = self.LOCAL.mu / self.LOCAL.rho
        if self.LOCAL.nu is None: raise(ValueError("bad kinematic viscosity value: nu [m2/s]"))
        if self.LOCAL.mu is None: self.LOCAL.mu = self.LOCAL.nu * self.LOCAL.rho
        if userid == "" or userid is None:
            userid = "newtonianfluid rho=%0.4g [kg/m3] and nu=%0.4g [m2/s]" \
                           % (self.LOCAL.rho,self.LOCAL.nu)
        # this simple line with +
        # manages inheritance (the las definition as always higher precendence)
        # sorts definitions to enable execution (struct.sortdefinitions())
        # (see pizza.forcefield.parameterforcefield())
        CURRENT = self.GLOBAL+self.LOCAL+self.RULES
        return water(beadtype=beadtype, userid=userid, USER=CURRENT)

Ancestors

• generic

Class variables

var RULES

Methods

def newtonianfluid(self, beadtype=1, userid=None, rho=1000.0, nu=1e-06, mu=None, USER=generic data (gendata object) with 0 items)

newtonianfluid() returns a parameterized ULSPH forcefield with prescribed viscosity (mu [Pa.s] or nu in [m2/s]) and density (rho). Based on recommendations of J. Comput. Phys 1997, 136, 214–226

Expand source code

def newtonianfluid(self, beadtype=1, userid = None, rho=1000.0, nu = 1e-6, mu = None, USER = genericdata()):
    """
        newtonianfluid() returns a parameterized ULSPH forcefield
        with prescribed viscosity (mu [Pa.s] or nu in [m2/s])
        and density (rho).
        Based on recommendations of J. Comput. Phys 1997, 136, 214–226
    """
    self.LOCAL = genericdata(
        rho = rho,
        nu = nu, # note that that nu is preferred as it is independent of rho
        mu = mu # dynamic viscosity (dependent on rho)
        ) + USER
    if self.LOCAL.nu is None: self.LOCAL.nu = self.LOCAL.mu / self.LOCAL.rho
    if self.LOCAL.nu is None: raise(ValueError("bad kinematic viscosity value: nu [m2/s]"))
    if self.LOCAL.mu is None: self.LOCAL.mu = self.LOCAL.nu * self.LOCAL.rho
    if userid == "" or userid is None:
        userid = "newtonianfluid rho=%0.4g [kg/m3] and nu=%0.4g [m2/s]" \
                       % (self.LOCAL.rho,self.LOCAL.nu)
    # this simple line with +
    # manages inheritance (the las definition as always higher precendence)
    # sorts definitions to enable execution (struct.sortdefinitions())
    # (see pizza.forcefield.parameterforcefield())
    CURRENT = self.GLOBAL+self.LOCAL+self.RULES
    return water(beadtype=beadtype, userid=userid, USER=CURRENT)

class generic

generic helper class

Expand source code

class generic:
    """ generic helper class """
    _version = 0.1
    _description = "generic helper for forcefield parameterization"
    RULES = genericdata()

    def __init__(self):
        self.name = None
        self.type = None

    def __repr__(self):
        """ representation of generic() """
        id = ""
        if self.type is not None: id = str(self.type)+":"
        if self.name is not None: id = id+str(self.name)
        if id !="": id = '"'+id+'"'
        idstr = '  generic helper: %s\n\t (class "%s")' % (id,self.__class__)
        print("%s" % idstr)
        if len(self.GLOBAL):
            print("  with GLOBAL data")
            self.GLOBAL.__repr__()
        return idstr

Subclasses

• USERSMD

Class variables

var RULES

class genericdata (sortdefinitions=False, **kwargs)

generic data class to be used along with pizza.generic

Constructor for parameterforcefield. It forces the parent's _returnerror parameter to False.

Parameters:

_protection : bool, optional Whether to enable protection on the parameters (default: False). _evaluation : bool, optional Whether evaluation is enabled for the parameters (default: True). sortdefinitions : bool, optional Whether to sort definitions upon initialization (default: False). **kwargs : dict Additional keyword arguments for the parent class.

Expand source code

class genericdata(parameterforcefield):
    """ generic data class to be used along with pizza.generic """
    _type = "gendata"        # object type
    _fulltype = "generic data" # full name
    _ftype = "item"        # field name
    _maxdisplay = 80

Ancestors

• pizza.forcefield.parameterforcefield
• pizza.private.mstruct.paramauto
• pizza.private.mstruct.param
• pizza.private.mstruct.struct

class parameterforcefield (sortdefinitions=False, **kwargs)

class of forcefields parameters, derived from param note that conctanating two forcefields force them to to be sorted

Constructor for parameterforcefield. It forces the parent's _returnerror parameter to False.

Parameters:

_protection : bool, optional Whether to enable protection on the parameters (default: False). _evaluation : bool, optional Whether evaluation is enabled for the parameters (default: True). sortdefinitions : bool, optional Whether to sort definitions upon initialization (default: False). **kwargs : dict Additional keyword arguments for the parent class.

Expand source code

class parameterforcefield(paramauto):
    """ class of forcefields parameters, derived from param
        note that conctanating two forcefields force them
        to to be sorted
    """
    _type = "FF"
    _fulltype = "forcefield"
    _ftype = "parameter"
    _maxdisplay = 80

    # same strategy as used in dscript for forcing  _returnerror = False (added 2024-09-12)
    def __init__(self, _protection=False, _evaluation=True, sortdefinitions=False, **kwargs):
        """
        Constructor for parameterforcefield. It forces the parent's _returnerror parameter to False.

        Parameters:
        -----------
        _protection : bool, optional
            Whether to enable protection on the parameters (default: False).
        _evaluation : bool, optional
            Whether evaluation is enabled for the parameters (default: True).
        sortdefinitions : bool, optional
            Whether to sort definitions upon initialization (default: False).
        **kwargs : dict
            Additional keyword arguments for the parent class.
        """
        # Call the parent class constructor
        super().__init__(_protection=_protection, _evaluation=_evaluation, sortdefinitions=sortdefinitions, **kwargs)
        # Override the _returnerror attribute at the instance level
        self._returnerror = False

Ancestors

• pizza.private.mstruct.paramauto
• pizza.private.mstruct.param
• pizza.private.mstruct.struct

Subclasses

• genericdata
• pizza.generic.genericdata

class water (beadtype=1, userid=None, USER=forcefield (FF object) with 0 parameters)

water material (smd:ulsph): generic water model water() water(beadtype=index, userid="myfluid", USER=…)

override any propery with USER.parameter (set only the parameters you want to override) USER.rho: density in kg/m3 (default=1000) USER.c0: speed of the sound in m/s (default=10.0) USER.q1: standard artificial viscosity linear coefficient (default=1.0) USER.Cp: heat capacity of material – not used here (default=1.0) USER.contact_scale: scaling coefficient for contact (default=1.5) USER.contact_stiffness: contact stifness in Pa (default="2.5${c0}^2${rho}")

water forcefield: water(beadtype=index, userid="myfluid")

Expand source code

class water(ulsph):
    """ water material (smd:ulsph): generic water model
            water()
            water(beadtype=index, userid="myfluid", USER=...)

            override any propery with USER.parameter (set only the parameters you want to override)
                USER.rho: density in kg/m3 (default=1000)
                USER.c0: speed of the sound in m/s (default=10.0)
                USER.q1: standard artificial viscosity linear coefficient (default=1.0)
                USER.Cp: heat capacity of material -- not used here (default=1.0)
                USER.contact_scale: scaling coefficient for contact (default=1.5)
                USER.contact_stiffness: contact stifness in Pa (default="2.5*${c0}^2*${rho}")
    """
    name = ulsph.name + struct(material="water")
    description = ulsph.description + struct(material="water beads - SPH-like")
    userid = 'water'
    version = 0.1

    # constructor (do not forgert to include the constuctor)
    def __init__(self, beadtype=1, userid=None, USER=parameterforcefield()):
        """ water forcefield:
            water(beadtype=index, userid="myfluid") """
        if userid!=None: self.userid = userid
        self.beadtype = beadtype
        self.parameters = parameterforcefield(
            # water-water interactions
            rho = 1000,
            c0 = 10.0,
            q1 = 1.0,
            Cp = 1.0,
            taitexponent = 7,
            # hertz contacts
            contact_scale = 1.5,
            contact_stiffness = '2.5*${c0}^2*${rho}'
            ) + USER # update with user properties if any

Ancestors

• pizza.forcefield.ulsph
• pizza.forcefield.smd
• pizza.forcefield.forcefield

Class variables

var description

var name

var userid

var version