ChargedBondedSpecies.cc

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//Copyright (c) 2013-2020, The MercuryDPM Developers Team. All rights reserved.
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#include "ChargedBondedSpecies.h"
#include "Logger.h"
#include "Species/BaseSpecies.h"

ChargedBondedSpecies::ChargedBondedSpecies()
{
    //setting adhesion values initially to zero such that, by default, particles do not experience
    //long range forces
    adhesionForceMax_ = 0;
    adhesionStiffness_ = 1;
    //similarly, setting bond properties to zero such that, by default, particles cannot be 'bondd'...
    bondForceMax_ = 0;
    //...and do not impart any excess dissipation!
    bondDissipation_ = 0;
    //Setting also parameters corresponding to the van der Waals force to zero by default
    vanDerWaalsForceMax_ = 0;
    vanDerWaalsStiffness_ = 1;
    charge_ = 0;
#ifdef DEBUG_CONSTRUCTOR
    std::cout<<"ChargedBondedSpecies::ChargedBondedSpecies() finished"<<std::endl;
#endif
}

ChargedBondedSpecies::ChargedBondedSpecies(const ChargedBondedSpecies& s)
{
    adhesionForceMax_ = s.adhesionForceMax_;
    adhesionStiffness_ = s.adhesionStiffness_;
    bondForceMax_ = s.bondForceMax_;
    bondDissipation_ = s.bondDissipation_;
    vanDerWaalsForceMax_ = s.vanDerWaalsForceMax_;
    vanDerWaalsStiffness_ = s.vanDerWaalsStiffness_;
    charge_ = s.charge_;
#ifdef DEBUG_CONSTRUCTOR
    std::cout<<"ChargedBondedSpecies::ChargedBondedSpecies(const ChargedBondedSpecies &p) finished"<<std::endl;
#endif
}

void ChargedBondedSpecies::write(std::ostream& os) const
{
    os << " adhesionForceMax " << adhesionForceMax_;
    os << " adhesionStiffness " << adhesionStiffness_;
    os << " charge " << charge_;
    os << " bondForceMax " << bondForceMax_;
    os << " bondDissipation " << bondDissipation_;
    os << " vanDerWaalsForceMax " << vanDerWaalsForceMax_;
    os << " vanDerWaalsStiffness " << vanDerWaalsStiffness_;
}

void ChargedBondedSpecies::read(std::istream& is)
{
    std::string dummy;
    is >> dummy >> adhesionForceMax_;
    is >> dummy >> adhesionStiffness_;
    is >> dummy >> charge_;
    is >> dummy >> bondForceMax_;
    is >> dummy >> bondDissipation_;
    is >> dummy >> vanDerWaalsForceMax_;
    is >> dummy >> vanDerWaalsStiffness_;
}

std::string ChargedBondedSpecies::getBaseName() const
{
    return "ChargedBonded";
}

void ChargedBondedSpecies::mix(ChargedBondedSpecies* const S, ChargedBondedSpecies* const T)
{
    //'mixing' properties relating to the charged force interactions between particles
    setAdhesionForceMax(BaseSpecies::average(S->getAdhesionForceMax(), T->getAdhesionForceMax()));
    setAdhesionStiffness(BaseSpecies::average(S->getAdhesionStiffness(), T->getAdhesionStiffness()));
    
    //ensuring that, in addition, bond properties are also 'mixed'
    bondForceMax_ = BaseSpecies::average(S->getBondForceMax(), T->getBondForceMax());
    bondDissipation_ = BaseSpecies::average(S->getBondDissipation(), T->getBondDissipation());
    
    //and that the van der Waals force also is computed correctly
    vanDerWaalsForceMax_ = BaseSpecies::average(S->getVanDerWaalsForceMax(), T->getVanDerWaalsForceMax());
    vanDerWaalsStiffness_ = BaseSpecies::average(S->getVanDerWaalsStiffness(), T->getVanDerWaalsStiffness());
    
    charge_ = 0; //note mixedSpecies dont need charge, it's a particle property.
}

void ChargedBondedSpecies::setInteractionDistance()
{
    logger.assert(adhesionStiffness_ != 0.0,"ChargedBondedSpecies::getInteractionDistance(): adhesionStiffness cannot be zero");
    getBaseSpecies()->setInteractionDistance(adhesionForceMax_ / adhesionStiffness_);
}


void ChargedBondedSpecies::setAdhesionStiffness(Mdouble new_k0)
{
    if (new_k0 >= 0) {
        adhesionStiffness_ = new_k0;
        setInteractionDistance();
    } else {
        logger(ERROR, "Error in setAdhesionStiffness");
    }
}

Mdouble ChargedBondedSpecies::getAdhesionStiffness() const
{
    return adhesionStiffness_;
}

void ChargedBondedSpecies::setAdhesionForceMax(Mdouble new_f0)
{
    if (new_f0 >= 0) {
        adhesionForceMax_ = new_f0;
        setInteractionDistance();
    } else {
        logger(ERROR, "Error in setAdhesionForceMax");
    }
}

Mdouble ChargedBondedSpecies::getAdhesionForceMax() const
{
    return adhesionForceMax_;
}

//overwrites the baseSpecies version of this function, allowing particles' charges to be accessed from the
//program running
int ChargedBondedSpecies::getCharge() const
{
    return charge_;
}

//allows the user to manually set the charge of a particle
void ChargedBondedSpecies::setCharge(int newCharge)
{
    //making sure that the user can only enter 1 (positive charge) -1 (negative charge)
    //or zero (no charge)
    if (newCharge == 0 || newCharge == 1 || newCharge == -1)
        charge_ = newCharge;
    else
    {
        std::cerr << "Error in setCharge - charge must be +1, -1 or zero" << std::endl;
        exit(-1);
    }
}

//*********************************************************************************************************************
//******************************ADDING ADDITIONAL VARIABLES FOR BOND INTERACTIONS**************************************
//*********************************************************************************************************************

void ChargedBondedSpecies::setBondForceMax(Mdouble new_f0)
{
    if (new_f0 >= 0)
    {
        bondForceMax_ = new_f0;
    }
    else
    {
        std::cerr << "Error in setBondForceMax" << std::endl;
        exit(-1);
    }
}

Mdouble ChargedBondedSpecies::getBondForceMax() const
{
    return bondForceMax_;
}

void ChargedBondedSpecies::setBondDissipation(Mdouble disp)
{
    if (disp >= 0)
        bondDissipation_ = disp;
    else
    {
        std::cerr << "Error in setAdhesionDissipation" << std::endl;
        exit(-1);
    }
}

Mdouble ChargedBondedSpecies::getBondDissipation() const
{
    return bondDissipation_;
}


//*********************************************************************************************************************
//****************************ADDING ADDITIONAL VARIABLES VAN DER WAALS INTERACTIONS***********************************
//*********************************************************************************************************************
//Adding parameters to recreate a highly simplified (but relatively computationally efficient!)
// van der Waals-like force at short distances

//A function to set the maximum strength of the van der Waals force.
//Note that this should, by definition, be great enough to overcome the maximal repulsive force experienced by
//a particle, as the net force must be attractive in order to correctly represent vand der Waals
void ChargedBondedSpecies::setVanDerWaalsForceMax(Mdouble fMax)
{
    if (fMax < 0)
    {
        std::cerr << "Error in setVanDerWaalsForceMax." << std::endl;
        exit(-1);
    }
    else
    {
        vanDerWaalsForceMax_ = fMax;
    }
}

//a function to return the value of the van der Waals maximal force
Mdouble ChargedBondedSpecies::getVanDerWaalsForceMax() const
{
    return vanDerWaalsForceMax_;
}

//A function to set the stiffness and hence - when combined with the maximal van der Waals force - *range*
//of the van der Waals force applied to closely interacting particles.
void ChargedBondedSpecies::setVanDerWaalsStiffness(Mdouble stiffness)
{
    vanDerWaalsStiffness_ = stiffness;
}

//a function to return the value of the van der Waals maximal force
Mdouble ChargedBondedSpecies::getVanDerWaalsStiffness() const
{
    return vanDerWaalsStiffness_;
}