newmen/versatile-diamond

#include "migration_down_at_dimer_from_111.h"
#include "lookers/near_methyl_on_111.h"
#include "lookers/near_activated_dimer.h"

const char MigrationDownAtDimerFrom111::__name[] = "migration down at activated dimer from 111";

double MigrationDownAtDimerFrom111::RATE()
{
    static double value = getRate("MIGRATION_DOWN_AT_DIMER_FROM_111");
    return value;
}

void MigrationDownAtDimerFrom111::find(DimerCRs *target)
{
    Atom *atoms[2] = { target->atom(0), target->atom(3) };
    NearMethylOn111::look<MethylOn111CMsiu>(26, atoms, [target](SpecificSpec *other) {
        SpecificSpec *targets[2] = { target, other };
        create<MigrationDownAtDimerFrom111>(targets);
    });
}

void MigrationDownAtDimerFrom111::find(MethylOn111CMsiu *target)
{
    NearActivatedDimer::look<MigrationDownAtDimerFrom111>(target);
}

void MigrationDownAtDimerFrom111::doIt()
{
    SpecificSpec *dimerCRs = target(0);
    SpecificSpec *methylOn111CMsiu = target(1);

    assert(dimerCRs->type() == DimerCRs::ID);
    assert(methylOn111CMsiu->type() == MethylOn111CMsiu::ID);

    Atom *atoms[4] = {
        methylOn111CMsiu->atom(1),
        methylOn111CMsiu->atom(0),
        dimerCRs->atom(0),
        dimerCRs->atom(3)
    };
    Atom *z = atoms[0], *a = atoms[1], *b = atoms[2], *c = atoms[3];

    assert(z->is(33));
    assert(a->is(26));
    assert(b->is(21));
    assert(c->is(22));

    bool hMigratedDown = false;
    if (a->type() == 36)
    {
        a->activate();
        b->deactivate();
        hMigratedDown = true;
    }

    Handbook::amorph().erase(a);
    crystalBy(b)->insert(a, Diamond::front_110_at({ b, c }));

    b->unbondFrom(c);
    a->bondWith(b);
    a->bondWith(c);

    z->changeType(32);

    if (a->is(13)) a->changeType(21);
    else if (a->is(27)) a->changeType(20);
    else
    {
        assert(a->type() == 36);
        a->changeType(20);
    }

    if (hMigratedDown) b->changeType(4);
    else b->changeType(5);

    if (c->is(32)) c->changeType(24);
    else if (c->is(21)) c->changeType(5);
    else if (c->is(20)) c->changeType(4);
    else
    {
        assert(c->type() == 23);
        c->changeType(33);
    }

    Finder::findAll(atoms, 4);
}